Miracle-dz/UniFAR-FTUs huggingface dataset:
Contribution of X-ray Photoelectron Spectroscopy to the Study of the Electrochemical Reactivity of CoO toward Lithium

The positive attributes of X-ray photoelectron spectroscopy to the field of battery research is illustrated through the study of reaction mechanisms involved during the electrochemical reduction/oxidation of a metal oxide (MO) electrode vs Li. Through the acquisition and interpretation of various (Co 2p, Li 1s, O 1s, and C 1s) XPS spectra during the charge and discharge of a CoO/Li battery, we could confirm the reversibility of the CoO → Co conversion reaction process involving the reversible formation/decomposition of CoO and Li2O together with the reversible growth of an organic layer. More importantly, such measurements suggested that the organic polymer could contain, among others, oligomer chains of poly(ethylene oxide) (CH2CH2O)n.
The Thin-Layer Drying Characterstics of White Onion Slices

ABSTRACT A batch–type experimental dryer with a computer–aided data acquisition system was designed and built for the thin layer drying studies of onion (Allium cew L., cv. Southport White Globe) slices. Twenty seven single–layer drying curves were established for a temperature range of 42.5–900C, an air velocity range of 0.6–1.4 m/s, an air humidity range of 0.0093–0.0442 kg of water/kg of dry air: and a slice thickness range of 0.002–0.005 m. The single–term exponential model adequately described the single–layer drying behaviour of the onion slices. l'he dependence of the drying rate constant on air temperature, absolute humidity, velocity and on slice thickness was best explained by an Arrhenius–type relationship. The drying rate constant in which moisture diffusion and shrinkage effects are lumped was greatly influenced by the sample thickness and drying air temperature, and to a lesser extent, by the air humidity and velocity.
Elimination of ibuprofen and its relative photo-induced toxicity by mesoporous BiOBr under simulated solar light irradiation

3D mesoporous BiOBr microspheres via a one-step solvothermal process without templates were synthesized. The as-synthesized material was characterized by XRD, XPS, FESEM, TEM, UV-Vis and nitrogen adsorption techniques. The photodegradation behavior of the non-steroid anti-inflammatory drug (NSAID) ibuprofen (IBP) in aqueous BiOBr suspension was investigated under simulated solar light irradiation. The photocatalytic activity of the as-prepared 3D mesoporous BiOBr microspheres was excellent. IBP photodegradation intermediates were detected by GC/MS analyses, and a detailed reaction pathway was proposed. Luminous bacteria (Vibrio qinghaiensis) toxicity evaluation showed the decrease of the toxicity of the photodegradation intermediates. Based on the results, 3D BiOBr could be a promising catalyst on irradiation by visible light, and even under sunlight.
Doping dependence of electrical and thermal conductivity of nanoscale polyaniline thin films

We performed simultaneous characterization of electrical and thermal conductivity of 55 nm thick polyaniline (PANI) thin films doped with different levels of camphor sulfonic acids (CSAs). The effect of the doping level is more pronounced on electrical conductivity than on thermal conductivity of PANIs, thereby greatly affecting their ratio that determines the thermoelectric efficiency. At the 60% (the molar ratio of CSA to phenyl-N repeat unit of PANI) doping level, PANI exhibited the maximum electrical and thermal conductivity due to the formation of mostly delocalized structures. Whereas polarons are the charge carriers responsible for the electrical conduction, phonons are believed to play a dominant role in the heat conduction in nanoscale doped PANI thin films.
The effect of sputter etching on the surface characteristics of black-dyed polyamide fabrics

Wool, silk, nylon 6 and Chinon (promix fibre) fabrics dyed with Cl Acid Black 155 were subjected to sputter etching and also exposed to a low-temperature argon plasma. Many microcraters were formed on the fibre surface by the sputter etching technique and the depth of shade of the fabrics increased considerably. Neither of these effects was observed following argon plasma treatment.
A Combination of Freeze Drying and Microwave Vacuum Drying of Duck Egg White Protein Powders

High energy consumption during freeze drying (FD) is a major concern that limits its application on common food product manufacturing. In this research, fresh duck egg white protein (FDEWP) powder and desalted duck egg white protein (DDEWP) powder were obtained by a combined two-stage tandem drying technologies (FD and microwave–vacuum drying [MVD]) in order to reduce energy consumption while maintaining good product quality. The results showed that the drying time for the FDEWP and DDEWP powders was significantly decreased by FD + MVD compared to those obtained by the FD-only process. The FDEWP powders dried by FD + MVD had a better color (higher L* and lower b*), lower apparent density, and lower foaming stability but higher emulsifying index than those dried by FD only. The DDEWP powder dried by FD + MVD had a product quality similar to that of FDEWP powder, suggesting that the DDEWP powder could be widely used as a food ingredient.
Complementarity between Firm Exporting and Firm Importing on Industry Productivity and Welfare

How different are the impacts of trade barriers on trade flows between intermediate inputs and final goods? How large are the welfare gains from trade for intermediate inputs relative to final goods? To address these questions, we develop a heterogeneous-firm model in which firm exporting and firm importing play a key role in industry productivity and welfare. We derive a gravity equation in intermediate-input trade to show that reductions in intermediate-input trade costs increase aggregate trade flows more than those in final-good trade costs, due to an extra adjustment operating through the extensive margin. We also find the general condition under which the welfare gains from trade are greater in intermediate-input trade than those in final-good trade.
Measurements of molecular second order optical susceptibilities using dc induced second harmonic generation

We have developed an infinite dilution extrapolation procedure for determining the molecular second order optical susceptibility β using dc induced second harmonic generation. We show how the effects of solute–solute and solvent–solvent interactions are minimized by this procedure, and how several local field models used in the procedure affect the calculation of β. Using hexane as a solvent for nitrobenzene, we have determined the best experimental value in solution for the intrinsic β of nitrobenzene of (1.11±0.17)×10−30 esu.
Synergistic effects of Ni and acid sites for hydrogenation and C–O bond cleavage of substituted phenols

The cleavage of C–O bonds in phenol, catechol, and guaiacol has been explored with mono- and dual-functional catalysts containing Ni and/or HZSM-5 in the aqueous phase. The aromatic ring of phenol is hydrogenated in the first step, and the C–O bond of the resulting cyclohexanol is dehydrated in sequence. The initial turnover frequency (TOF) of phenol hydrodeoxygenation increases in parallel with the acid site concentration irrespective of the concentration of the accessible surface Ni atoms. For catechol and guaiacol conversion, Ni catalyzes the hydrogenolysis of the C–O bonds in addition to arene hydrogenation. For catechol, the hydrogenation of the aromatic ring and the hydrogenolysis of the phenolic –OH group occur in parallel with a ratio of 8:1. The saturated cyclohexane-1,2-diol can be further dehydrated over HZSM-5 or hydrogenolyzed on Ni to complete hydrodeoxygenation. Guaiacol undergoes primarily hydrogenolysis (75%) to phenol via demethoxylation, and the hydrogenation route accounts for only 25%. This is attributed to the steric effects arising from the adjacent sp3 hybrid O–CH3 group. 2-Methoxycyclohexanol (from guaiacol hydrogenation) reacts further either via hydrogenolysis by Ni to cyclohexanol or via acid catalyzed demethoxylation and rearrangement steps followed by the subsequent hydrogenation of the intermediately formed olefins. On Ni/HZSM-5, the hydrodeoxygenation activities are much higher for the phenolic monomers than for their respective saturated analogues, pointing to the importance of sp2 orbitals. The presence of proximal acid sites increases the activities of Ni in the presence of H2 by a synergistic action.
The formation of light emitting cerium silicates in cerium-doped silicon oxides

Cerium-doped silicon oxides with cerium concentrations of up to 0.9 at. % were deposited by electron cyclotron resonance plasma enhanced chemical vapor deposition. Bright cerium related photoluminescence, easily seen even under room lighting conditions, was observed from the films and found to be sensitive to film composition and annealing temperature. The film containing 0.9 at. % Ce subjected to anneal in N2 at 1200 °C for 3 h showed the most intense cerium-related emission, easily visible under bright room lighting conditions. This is attributed to the formation of cerium silicate [Ce2Si2O7 or Ce4.667 (SiO4)3O], the presence of which was confirmed by high resolution transmission electron microscopy.
Time-resolved photoacoustic Doppler characterization of flow using pulsed excitation

A new approach for implementing pulsed excitation enables time-resolved characterization of flow, using the photoacoustic Doppler effect. The method yields two-dimensional maps of the Doppler shift vs. axial position of flowing absorbing particles. It takes advantage of the unique flexibility and accuracy of external modulation which offers excellent control over the parameters of the pulsed optical excitation. The experimental setup comprised a CW tunable laser source operating in the fiber optic communications band (1510-1620nm) followed by an electro-optic modulator, electronically driven by an arbitrary waveform generator. Using the technique the flow of a suspension of carbon particles in a C-flex tube was measured over a wide range of velocities from 18 mm/sec up to 200mm/sec.
Cross-Coupling Reactions in the Synthesis of Liquid Crystals

Abstract The synthesis of structurally complex liquid crystals by traditional linear methods is often difficult, if not impossible. When many functional groups of a specific substitution pattern are required it is very likely that the sequence of reactions will interfere with functional groups already present or the directing effect of such functional groups may lead to the wrong substitution pattern. Syntheses using small, more easily managed units of the correct substitution patterns in high-yielding coupling reactions are a much more viable approach; the possible use of the sub-units in the synthesis of many different final compounds leads to systematic and economic syntheses. Suitable methods of synthesis of liquid crystals by cross-coupling reactions of various types are discussed, examples are provided and issues of selectivity are considered. The methods based on arylboronic acids are particularly useful.
Modeling the susceptibility of drinking water utilities to form high concentrations of trihalomethanes

Chlorination is a key process in the production of drinking water which aims at ensuring an acceptable microbiological quality of water in urban distribution systems. But chlorine is also known to react with organic matter naturally present in water to form disinfection by-products such as trihalomethanes (THMs). Because epidemiological and toxicological studies have suggested THMs are potentially carcinogenic for humans, most industrialized countries have established maximum acceptable THM levels as part of their water quality standards. Modeling THM occurrence in water may be a valuable tool for decision-makers in dealing with these potentially hazardous by-products. This paper presents a modeling approach based on logistic regression analysis which is designed to estimate the susceptibility of water utilities (in Quebec, Canada) to generating high levels of THMs. The approach is aimed at estimating the probability to exceed established THM thresholds, based on general utility characteristics (type of water source, type of water treatment, geographical location) as well as information about water quality and operational parameters. The models are able to identify the worst conditions for THM formation. A sensitivity analysis using these models allows for the identification of strategies for THM reduction in distribution systems as well as an estimation of the capacity of utilities to comply with current and future regulations. The use of such models to generate data for regional epidemiological studies is also discussed.
End Effect on Permeability of Loose Particulate Bed Having Different Internal Structures

Permeability through media having various structures has been studied theoretically. We consider loose porous media, like fibrous materials, and media with a localized pore network, like fractured rocks. We model complicated porous structures by using assemblage of spherical particles. The calculations of permeability are performed by the Stokesian dynamic approach, which enables us to derive fluid motion in the presence of many particles. The Ewald summation technique is employed to represent infinite and finite particulate beds. In the infinite bed where the particles exist endlessly in space, we investigate how the internal structure of the media affects permeability. The results indicate that permeability significantly depends on internal structure, particularly the void geometry. In the finite bed where the particles form a bed with finite thickness, we discuss permeability variance due to the presence of ends. It is found that permeability greatly varies in the vicinity of ends owing to the anisotropy of the flow field, which arises from the presence of ends.
Mechanism for the gas‐phase reaction between OH and 3‐methylfuran: A theoretical study

The mechanism for the OH + 3-methylfuran reaction has been studied via ab initio calculations to investigate various reaction pathways on the doublet potential energy surface. Optimizations of the reactants, products, intermediates, and transition structures are conducted using the MP2 level of theory with the 6-311G(d,p) basis set. The single-point electronic energy of each optimized geometry is refined with G3MP2 and G3MP2B3 calculations. The theoretical study suggests that the OH + 3-methylfuran reaction is dominated by the formation of HC(O)CHC(CH3)CHOH (P7) and CH(OH)CHC(CH3)C(O)H (P9), formed from two low-lying adducts, IM1 and IM2. The direct hydrogen abstraction pathways and the SN2 reaction may play a minor or negligible role in the overall reaction of OH with 3-methylfuran. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008
Synthesis and Crystal Structure of 1-Benzhydryl-4-Methane-Sulfonyl-Piperazine

The title compound, 1-benzhydryl-4-methanesulfonyl-piperazine, was synthesized by the nucleophilic substitution of 1-benzhydryl-piperazine with methyl sulfonyl chloride. The product obtained was characterized by spectroscopic techniques, and the structure was investigated by X-ray crystallography. The compound crystallizes in the monoclinic crystal class in the space group P21/c with cell parameters a = 9.5820(4) A○, b = 16.8150(12) A○, c = 13.5280(8) A○, β = 127.270(5)°, and V = 1734.5(2)A○ 3 for Z = 4. The structure reveals that the piperazine ring is in a chair conformation. There is a large discrepancy around the bond angles of the piperazine N atoms. The geometry around the S atom is distorted tetrahedral.
Adsorption Parameters Studies for the Removal of Mercury from Aqueous Solutions Using Hybrid Sorbent

The aim of this research work is to investigate adsorption of mercury ions from an aqueous solution on a biocompatible polymeric polypyrrole-chitosan (PPy/CTN) nanocomposite. The PPy/CTN nanocomposite was prepared in aqueous media by chemical polymerization of pyrrole in the presence of ferric chloride as an oxidant. Langmuir, Freundlich, and Temkin adsorption isotherms were applicable to the adsorption process, and their constants were evaluated. The thermodynamic equilibrium constant and the Gibbs free energy were determined. Results indicated that the Langmuir model gave a better fit to the experimental data than the other two equations. The adsorption capacity (qmax) of PPy/CTN for Hg(II) ions in terms of monolayer adsorption was 40 mg/g. The negative value of Gibbs free energy (ΔGo) indicates feasible and spontaneous adsorption of Hg(II) on the PPy/CTN nanocomposite. Also the change in entropy (ΔSo) and enthalpy (ΔHo) were estimated to be –0.21 KJ (mol K)−1 and –18.183 kJ mol−1, respectively.
Observational quantification of a total aerosol indirect effect in the Arctic

We use 6 yr of multisensor radiometric data (1998–2003) from the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) program to provide an observational quantification of the short-wave aerosol first indirect effect in the Arctic. Combined with the previously determined long-wave indirect effect, the total (short-wave and long-wave) first indirect effect in the high Arctic is found to yield a transition from surface warming of +3 W m−2 during March to a cooling of –11 W m−2 duringMay, therefore altering the seasonal cycle of energy input to the Arctic Earth–atmosphere system. These data also reveal evidence of a first indirect effect that affects optically thinner clouds during summer, which may represent an additional negative climate feedback that responds to a warming Arctic Ocean with retreating sea ice.
Liquid-Liquid Extraction of Acids and Water by a Malonamide: I-Anion Specific Effects on the Polar Core Microstructure of the Aggregated Malonamide

In a solvent extraction process, the compositions of the phases in thermodynamic equilibrium (described as a Winsor-II regime) must be determined to obtain the extraction isotherms of ions as well as co-extracted water. By comparing the extractions of a series of acids by the malonamide DMDOHEMA (N,N’-dimethyl-N,N’-dioctyl hexylethoxy malonamide) in n-heptane, the specific anion effects regarding third phase formation and the strength of the acid-extractant interaction were investigated. It is shown that third phase formation is driven by hydration enthalpy of acid, while the polar core microstructure is controlled by the pKa of the acids. Upon acid extraction, the promotion of third phase formation follows the series H2SO4 ≈ H3PO4 ≈ HClO4 > HNO3 > HCl > HCOOH, which correlates to hydration enthalpy of acid in the case of monoacids. The combination of IR spectroscopy and DFT calculations revealed two different modes of acid extraction, either by hydrogen bonding (extraction of non-dissociated acid: HA) or by protonation of the extractant (extraction of dissociated acid: H+A−). The strength of the amide-acid interaction (protonation vs. hydrogen bonding) is correlated to the pKa of the acid and is responsible for the microstructure of the solution.
The manipulation of host transcription by the ANKH effector of legionella.

S AND PRESENTATIONS ORAL PRESENTATIONS Local/Regional 1. Von Dwingelo JE (2011) Abundance of Methanosaeta concillii-like species in the sediment of Ledbetter Creek Embayment of Kentucky Lake. Kentucky Academy of Science Annual Meeting Seminar, Murray State University, Murray, KY 2. Von Dwingelo JE (2014) Role of the AnkH Effector of Legionella Pneumophila in Intracellular Proliferation. Department of Microbiology and Immunology Seminar, University of Louisville, Louisville, KY 3. Von Dwingelo JE (2015) Role of the AnkH Effector of Legionella Pneumophila in Intracellular Proliferation. Department of Microbiology and Immunology Seminar, University of Louisville, Louisville, KY 4. Von Dwingelo JE (2016) Role of the AnkH Effector of Legionella Pneumophila in Intracellular Proliferation. Department of Microbiology and Immunology Seminar, University of Louisville, Louisville, KY 5. Von Dwingelo JE (2017) Role of the AnkH Effector of Legionella Pneumophila in Intracellular Proliferation. Department of Microbiology and Immunology Seminar, University of Louisville, Louisville, KY POSTERS Local/Regional 1. Von Dwingelo JE, Price CTD, Jones S, Chung I, Cygler M, Abu Kwaik Y (2017) Role of the AnkH Effector of Legionella Pneumophila in Intracellular Proliferation. Research! Louisville. University of Louisville, Louisville, KY.
Porous silicon formation mechanisms

Recent reports describing photoluminescence in porous silicon have heightened the level of interest in it as a unique electronic material, and have created a need for a more complete understanding of the mechanism of porous silicon formation. The various models describing porous silicon formation are reviewed and the known electrochemical and morphological properties are discussed with the intention of unifying the different models into a comprehensive explanation for the formation of a porous structure in silicon. Because the specific surface dissolution chemistry is critical for a complete understanding of pore formation, some of the more prominent dissolution reactions are also reviewed and their relative importance to pore generation and morphology is discussed. Some aspects of the recently reported quantum effects are also reviewed. Because the mechanism of porous silicon formation involves a wide range of interdisciplinary fields, a considerable number of analogies and examples to related phenomena .
Mycoremediation (bioremediation with fungi) – growing mushrooms to clean the earth

Abstract Some of the prospects of using fungi, principally white-rot fungi, for cleaning contaminated land are surveyed. That white-rot fungi are so effective in degrading a wide range of organic molecules is due to their release of extra-cellular lignin-modifying enzymes, with a low substrate-specificity, so they can act upon various molecules that are broadly similar to lignin. The enzymes present in the system employed for degrading lignin include lignin-peroxidase (LiP), manganese peroxidase (MnP), various H2O2 producing enzymes and laccase. The degradation can be augmented by adding carbon sources such as sawdust, straw and corn cob at polluted sites.
Theory of Ostwald ripening: Competitive growth and its dependence on volume fraction

The theory of Ostwald ripening is extended to include the dependence on the volume fraction of the minority phase. The size distribution function for droplets of the minority phase and the power laws of the time dependences are derived for the late stages of phase separation. The asymptotic distribution function is found to be independent of initial conditions but does depend on the equilibrium volume fraction associated with a given quench. We show that the average radius grows as t 1 / 3 and the density of droplets decays as t − 1. The growth law and the amplitudes for these temporal power laws derivate from their value in the limit of zero volume fraction as the square root of the volume fraction. The effect of competition among droplets causes the distribution to broaden and to increase the coarsening rate.
The Application of Mathematical Models to the Commercial High-Temperature Drying of Softwood Lumber

ABSTRACT High temperature drying of softwood is used because it provides much faster drying rate than is possible at lower temperatures. However, the occurrence of some drying defects limits its use where the quality is critical. In order to understand the drying phenomena and to describe the drying processes, numcrous mathematical models have been developed in the past two decades. The diffusion model is the earliest attempt to describe wood drying processes and is relatively simple in form, so it is often used for stress analysis. However.further substantial work is still required before it is possible to apply the stress model to kiln control. Recently. transpon-based mathematical models have been receiving attention in modelling studies. This review discusses one of these models, a physiological-transport-based model, which has been further applied to the drying of mixed sap/heartwood boards and the drying of a kiln-wide stack. The mixed boards with a thin heanwood layer parallel to the flat surface a.