Miracle-dz/UniFAR-FTUs huggingface dataset:
Colloidal, electrorheological, and viscoelastic properties of polypyrrole-graft-chitosan biodegradable copolymer

In this study, colloidal, electrorheological, and viscoelastic properties of conducting polypyrrole, biodegradable chitosan, and polypyrrole-graft-chitosan copolymer were investigated. Some physical properties such as particle size, apparent density, conductivity, magnetic susceptibility, and elemental analysis of the materials were determined. Electrokinetic properties of the materials were investigated by means of zeta (ζ)-potential measurements in aqueous and non-aqueous (silicone oil) media. The effects of time, pH, various electrolytes, surfactants, and temperature onto ζ-potentials of the dispersions prepared in aqueous media were examined. It was concluded that the positive ζ-potential of polypyrrole shifted to more positive regions, and the isoelectric point of the polypyrrole concomitantly shifted to higher pH values after interaction with polycationic chitosan matrix. Polypyrrole-graft-chitosan/silicone oil suspensions were observed to be electrorheological active when subjected to external electric field strength. Creep and creep–recovery tests were applied to the suspensions and a relationship was established between viscoelastic response and ζ-potential of the materials. Furthermore, polypyrrole-graft-chitosan-based smart electrorheological fluid was observed to behave as a viscoelastic material and exhibited a reversible nonlinear viscoelastic deformation under externally applied electric field strength.
The volatile composition of samples from the blend of monovarietal olive oils and from the processing of mixtures of olive fruits

The volatile fraction deriving from the lipoxygenase pathway of samples obtained by processing olive fruits of 2 cultivars in known proportions was compared with that of samples deriving from the blending of oils extracted from the same cultivars and in the same proportions. The varieties considered for the mixtures were Coratina and Koroneiki, Coratina and Frantoio, and Dritta and Bosana, respectively. The results confirmed that the accumulation of each volatile compound from the lipoxygenase pathway in the monovarietal oils was different and closely dependent on the genetic store of each variety. The concentrations of the mentioned compounds appeared to change in a way proportional to the percent of each monovarietal oil in the samples obtained by blending 2 monovarietal oils. Instead, the oils obtained by processing mixtures of fruits from the 2 corresponding cultivars showed a striking accumulation of volatile compounds, especially of C6-compounds, which reached higher concentration at different percentages depending on the cultivars processed.
An Analytic Analysis of the Diffusive-Heat-Flow Equation for Different Magnetic Field Profiles for a Single Magnetic Nanoparticle

This study analytically analyzes the changes in the temperature profile of a homogenous and isotropic medium having the same thermal parameters as a muscular tissue, due to the heat released by a single magnetic nanoparticle (MNP) to its surroundings when subject to different magnetic field profiles. Exploring the temperature behavior of a heated MNP can be very useful predicting the temperature increment of it immediate surroundings. Therefore, selecting the most effective magnetic field profile (MFP) in order to reach the necessary temperature for cancer therapy is crucial in hyperthermia treatments. In order to find the temperature profile caused by the heated MNP immobilized inside a homogenous medium, the 3D diffusive-heat-flow equation (DHFE) was solved for three different types of boundary conditions (BCs). The change in the BC is caused by the different MF profiles (MFP), which are analyzed in this article. The analytic expressions are suitable for describing the transient temperature response of the medium for each case. The analysis showed that the maximum temperature increment surrounding the MNP can be achieved by radiating periodic magnetic pulses (PMPs) on it, making this MFP more effective than the conventional cosine profile.
Identifying fly ash at a distance from fossil fuel power stations

A method has been developed to identify fly ash originating at fossil fuel power stations, even at a distance where the ash level is lower by a factor of 1000 from that close to a source. Until now such detection has been difficult and uncertain. The technique combines collection of particles, measurement of magnetization and coercive field, and microscopy. The analysis depends on the fact that ash from iron sulfide in fossil fuels is in the form of spherical magnetite. These particles have a relatively high coercive field Hc, near 135 Oe, compared with airborne particulates from soil erosion which have an Hc of ∼35 Oe. The coercive field of any sample therefore gives an indication for the percentage of fly ash relative to the total amount of magnetic material that is airborne. The concentration of ash from a large, isolated coal burning power station is found to fall off with the distance from the source, approximately as D-1. As D increases there is a drop in Hc, associated with the reduced amount of fl.
Growth and Characterization of High Quality BiFeO3-PbTiO3 Single Crystals

Bismuth ferrite-lead titanate (BFPT) single crystals were grown using a PbO:Bi2O3 flux. Highly pure, crack free single crystals of 4 mm diameter were produced. Energy dispersive X-ray analysis (EDX) and Electron Probe Micro-Analysis (EPMA) were used to determine the chemical composition of the crystals, and scanning electron microscopy (SEM) confirmed the absence of cracks. Powder X-ray diffraction (XRD) revealed the crystal structure to be single-phase tetragonal perovskite, and high temperature studies showed the position of the Curie point (TC). Promising electrical properties are reported including capacitance, dielectric loss, dielectric strength and piezoelectric coefficient (d33).
Effect of Flow Agent Addition on the Physical Properties of DDGS with Varying Moisture Content and Soluble Levels

Distillers Dried Grains with Solubles (DDGS) is widely recognized as a highly nutritious animal feed ingredient. With the exponential growth of the fuel ethanol industry in the past several years, significant quantities of distillers grains are now being produced. To effectively utilize these feeds in the domestic market, these coproduct streams have to be transported greater distances, and must be stored in various structures until final use. Unfortunately, DDGS flow is often problematic, as it frequently becomes restricted by caking and bridging during storage and transport. This issue may arise from a number of factors, including storage moisture, temperature, relative humidity, particle size, time, or temperature variations. The objective of this study was to examine the effect of various moisture content levels (10%, 15%, 20%, 25%, and 30% d.b.) and calcium carbonate (a common flow agent) levels (0%, 1%, and 2% w.b.) on the resulting physical and flow properties (Carr indices) of DDGS with varying soluble levels (10%, 15%, 20%, and 25% d.b.). The results showed that DDGS flowability declined with increased soluble and moisture content levels. Flow agent (CaCO3) addition did not have a significant effect in improving the flow properties of DDGS. This may have been due to no surface affinity between DDGS and the flow agent particles, or too little inclusion of the flow agent.
Patterned Redox Arrays of Polyarylamines II. Growth of Thin Films and Their Electrochemical Behavior

Thin films of tetra-p-anisyl-p-phenylenediamine, 1, and p-phenylenediamine (PD) with four pendent diarylamino (AA) groups (4AA/PD, 3) are prepared by vapor deposition under high vacuum. Film growth is studied by atomic force microscopy on mica surfaces. The thin films of 1 and 3 grow very differently. Arylamine 1 grows by a Volmer-Weber type mechanism while 3 grows by a Stranski-Krastanov-type mechanism. The films are amorphous as deposited but convert into crystalline phases upon thermal annealing. Cyclic voltammetry of the films on indium tin oxide coated glass electrodes indicates that the crystalline phase of 1 is oxidized at a higher potential than its amorphous phase. Controlled potential coulometry on 100 nm films shows that oxidation of the core PD group of the shell/ core structure 3 is much slower than oxidation of the PD group of 1 in the film state, suggesting that oxidation of the higher E°' arylamino (AA) shell of 3 may be required for bulk charging of its film. The ability of the peripheral AA groups of 3 to electrochemically shield its core PD group is a unique electronic feature derived from the shell/core patterned architecture of this redox-gradient array.
Remobilization of sterically stabilized silver nanoparticles from farmland soils determined by column leaching

The increasing application of silver (Ag)‐engineered nanoparticles (ENP) will enhance their release to the aquatic and terrestrial environments. Hence, the retention potential of the sterically stabilized Ag ENP (AgNM‐300k, Organisation for Economic Cooperation and Development (OECD)) standard material was tested in a sandy Cambisol and in a clay‐ and silt‐rich Luvisol. In addition, the remobilization potential of the same soils spiked with AgNM‐300k was investigated in columns after 3 and 92 days of incubation. The AgNM‐300k dispersion and the soil solutions were examined with dynamic light scattering (DLS). Inductively coupled plasma optical emission spectroscopy (ICP‐OES) and inductively coupled plasma mass spectrometry (ICP‐MS) were used to analyse soils and soil solutions subjected to different digestion and extraction techniques (aqua regia, nitric acid (HNO3) and EDTA (ethylenediamninetetraacetate)). The 24‐hour batch test showed a 10‐fold greater retention coefficient for AgNM‐300k in the silt‐ and clay‐rich Luvisol than in the sandy Cambisol. In addition, all applied extraction techniques indicate a greater potential for mobility of Ag ENP for the sandy Cambisol. However, a small release from the column of AgHNO3 (measured Ag content in the fraction < 0.45 µm after HNO3 digestion) was observed after 3 as well as after 92 days of incubation for both soils. The largest amount of Ag was released from the Cambisol during the first percolation step (water:soil ratio = 1 l kg−1) after the soil was incubated for 3 days. This AgHNO3 release corresponded to approximately 1% of the total amount of Ag in the soil column. The correlation obtained between released AgHNO3 and AlHNO3 suggests that even the Ag released at small concentrations is associated with soil colloids. Thus, hetero‐aggregation is a potentially important process controlling retention.
Long-Lived Photoinduced Charge Separation and Redox-Type Photochromism on Mesoporous Oxide Films Sensitized by Molecular Dyads

The photoinduced charge separation in three different assemblies composed of an electron donor D and a chromophore sensitizer S adsorbed on nanocrystalline TiO2 films (D−S|TiO2) was investigated. In all of the systems, the sensitizer was a ruthenium(II) bis-terpyridine complex anchored to the semiconductor surface by a phosphonate group. In two of the assemblies, the donor was a 4-(N,N-di-p-anisylamino) phenyl group linked to the 4‘ position of the terpyridine, either directly (dyad D1−S) or via a benzyl ether interlocking group (dyad D2−S). In the third system, the sensitizer and the donor (3-(4-(N,N-di-p-anisylamino)phenoxy)-propyl-1-phosphonate) were coadsorbed on the surface ((D3+S)|TiO2). Laser flash photolysis showed that the photoinduced charge separation process follows the sequence D−S*|TiO2 D−S+|(e-)TiO2 D+−S|(e-)TiO2 D−S|TiO2 Resonance Raman spectroscopy indicates that in the excited assemblies D2−S*|TiO2 and (D3+S*)|TiO2, one electron is promoted from the metal center to the terpyridine ligand.
Elastic constants and chemical bonding of LaNi5 and LaNi5H7 by first principles calculations

Elastic constants of LaNi5H7 and LaNi5 are calculated by a first principles pseudopotential method using plane-wave basis sets. Some extra calculations using model clusters were made in order to discuss the magnitude of chemical bondings. Inner displacements associated with all deformation modes are taken into account. Elastic constants are smaller and more isotropic in the hydride than those in the host. The electronic mechanism to determine the change in the elastic properties is investigated from the viewpoint of chemical bonding. Strong Ni–H bonds are formed in LaNi5H7 at the expense of Ni–Ni bonds. They play key roles in determining the elastic properties. The isotropic distribution of the Ni–H bonding charge in LaNi5H7 should be responsible for the isotropic elastic constants. Hydrogen atoms are found to relax considerably during the deformation to maintain the Ni–H bond length. When the inner displacements are ignored, the elastic constants of LaNi5H7 are as large as those of LaNi5. However, the remarkable displacement of hydrogen atoms during the elastic deformation plays an essential role in softening by hydrogenation.
Impact of COVID-19 on healthcare workers at a cancer care centre

Background: The services of front-line health care workers (HCWs) have been paramount in the management of novel coronavirus disease 2019 (COVID-19). Health care professionals have been at high occupational risk of getting disease and even dying of the disease, however; they have been the subject of very limited studies in terms of COVID-19. The objectives of this study are to examine the incidence and the impact of COVID-19 infection among HCWs in terms of recovery, productivity, quality of life (QOL) and post-COVID complications. Materials and Methods: This was a retrospective, questionnaire based study including demographic details, workplace characteristics, symptoms, source/ spread of infection, details of recovery and the consequences of COVID-19 comprising impaired productivity/ QOL, post-COVID-19 complications and others. The data were analyzed by using IBM SPSS software (Version 23, SPSS Inc., Chicago, IL, USA). Results and Conclusions: Out of a total of 1482 employees, 18.3% (271) were laboratory confirmed to have contracted novel contagion during the study period of 5 months. The median age at diagnosis was 29 (range, 21-62) years. Front-line workers and female workers were the most infected personnel with COVID-19. Flu-like symptoms were the most frequently experienced symptoms. The median time for recovery was 20 (range, 2-150) days. The relationship between pre-existing comorbidities and age was highly significant. The QOL and productivity were associated with pre-existing comorbidities, severity of the disease, time for recovery and post-COVID syndrome. More than a half (51.8%) of all HCWs had suffered from post-COVID complications. There was no fatality reported due to COVID-19. The post-COVID complications were related to pre-existing comorbidities, severity of disease, time for recovery and status of recovery. Further research to explore the consequences of COVID-19 is warranted. The general public needs to be aware of symptoms and management of the post-COVID syndrome.
Dioxygen bond scission and haem degradation in haemproteins: a kinetic study of chemical model systems using ferrimyoglobin and haempeptide : non-haempeptide complexes as catalysts for ‘peroxidasic’ reduction of hydrogen peroxide

Ferrimyoglobin (Fe3+ Mb) and the haempeptide : non-haempeptide (HP : NHP) non-covalent complex 1–50:51–104 derived from cytochrome c, have been utilized to investigate factors directing the mechanism of –O–O– bond scission in haemprotein redox enzymes, and those affecting haem degradation or haem protection in these proteins.The kinetic mechanism for the ‘peroxidasic’ reduction of H2O2 by these catalysts is established using diammonium 2,2′-azinobis(3-ethylbenzothiazoline-6-sulfonate)(ABTS) as reducing substrate. The effect of Br– and HCO2– ions on the kinetics of the Fe3+ Mb reaction indicates that dioxygen bond scission in this system does result in some formation of hydroxyl radicals, i.e. the reaction has a homolytic component.The effect of pH on the kinetics of H2O2 reduction and haem degradation is reported, and the dimensionless ratio of efficiencies for sequential reaction is proposed as a useful parameter for assessment of haem degradation. It is shown that the ‘alkaline’ transition in the HP:NHP complex could reflect formation of a catalytically inactive hydroxo-complex.
Design and evaluation of a tightly binding fluorescent ligand for influenza A hemagglutinin

Attachment of influenza virus to susceptible cells is mediated by the viral protein hemagglutinin, which recognizes cell-menbrane-bound glycoconjugates that terminate in α-sialoside. We have synthesized a fluorescent α-sialosidc that has the highest affinity of any reported conovalent ligand for hemagglutinin, and it is not a substrate for the vial neuraminidase. This α-sialoside provide a convenient fluorecence competition assay for the binding of other ligands. Since each of the currently used binding assays has significant disadvantage, such a simple assay is of great importance for the study of potential inhibitors of viral attachment
Misturas em tanque com glyphosate para o controle de trapoeraba, erva-de-touro e capim-carrapicho em soja RR®

Although the use of glyphosate tank mixtures for managing weed species of difficult control is prohibited by theBrazilian legislation, it has been a common practice among farmers. This work aimed to evaluate the efficiency andselectivity of herbicide tank mixtures using glyphosate to control Commelina benghalensis L. , Tridax pr ocumbens L.and Cenchr us echinatus L. in soybean crop RR
A SANS Study of High Pressure Phase Transitions in Model Biomembranes

The phase behaviour and thermotropic and barotropic phase transitions of different model biomembranes (DPPC, DMPC, DEPC and POPC*)), which consist of different hydrocarbon chain length and degree of unsaturation, have been investigated by small-angle neutron scattering (SANS) as a function of temperature and pressure up to about 65°C and 3 kbar, respectively. A pressure induced structural phase transition from a liquid-crystalline to a gel state is observed for the whole temperature range studied. The pressure of this transition increases with increasing temperature with a slope dTm/dP of about 21°C/kbar, which is common for all the different lipids investigated. The SANS experiments indicate that the effect of the two trans double bonds in DEPC and the cis double bond in the sn-2 hydrocarbon chain of POPC enhances the conformational disorder in the hydrocarbon chains not only in the liquid-crystalline, but also in the gel state. For DEPC and POPC the prefered structural conformation in the gel state is probably not tilted as it is in the gel state of the saturated phospholipids DMPC and DPPC. Only for DPPC multilamellar vesicles, an additional gel phase at higher pressures has been observed, which can be ascribed to an interdigitation of the hydrocarbon chains of opposing chains in the lipid bilayer system.
Refrigerated or Superchilled Skin‐Packed Sea Bream (Sparus aurata) Compared with Traditional Unpacked Storage on Ice with Regard to Physicochemical, Microbial and Sensory Attributes

The aim of this study was to investigate whether superchilling in combination with skin packaging can be applied to improve the shelf life of filleted sea bream (Sparus aurata). First, the optimum superchilling temperature for filleted sea bream was determined through the drip loss analysis. Different storage techniques were then compared. Filleted fish was skin packed and stored under either superchilled conditions (−1C) or refrigerated conditions (+2C). These two technologies were also compared with the traditional preservation system of fish fillets stored on ice flakes. Superchilling storage resulted in improved sensory evaluation scores (fresh and cooked evaluation), decreased the values of trimethylamine, total volatile basic nitrogen and thiobarbituric acid reactive substances and delayed the growth of spoilage bacteria (Enterobacteriaceae, psychrophilic bacteria, mesophilic bacteria and sulfur-producing bacteria). Our findings suggest that superchilling in combination with skin packaging could be a good preservation technique for extending the shelf life of filleted sea bream. Practical Applications Superchilling maintains the temperature of the food just below its initial freezing point and skin packaging produces an anaerobic ambient while producing minimal pressure stress on food surface. The combination of both processing technologies extends sea bream's shelf life, therefore reducing production costs and extending product commercialization area.
Loan Spreads and Unexpected Earnings

This paper explores whether banks have superior information to financial analysts about borrowers’ future earnings at the financing decision stage. The results suggest that at the loan initiation banks have “priced-in” borrowers’ future earnings news that is unexpected by analysts. The sensitivity of loan spreads to unexpected earnings varies cross-sectionally and over time in the same direction as the predicted changes in banks’ relative information advantages. Further tests show that the results are robust to alternative measures of unexpected earnings, and are unlikely to be driven by correlated omitted risk factors. Current version: March 25, 2007 ∗ I am grateful to my dissertation committee members: Anne Beatty (Chair), Rudi Fahlenbrach, Rick Johnston, and Siew Hong Teoh for their valuable guidance on this paper. I thank Ray Ball, Gus De Franco, S.P. Kothari, Tom Lys, Jim Ohlson, Steve Rock, Phil Shane, Shyam Sunder (the discussant), Beverly Walther, Terry Warfield, Joe Weber, John Wild, Peter Wysocki, Jerry Zimmerman, and seminar participants at Michigan State University, MIT, Northwestern University, Southern Methodist University, The Ohio State University, University of Chicago, University of Colorado at Boulder, University of Michigan, University of Minnesota, University of Rochester, University of Toronto, University of Wisconsin at Madison, and the 2006 AAA annual conference at Washington D.C. for very helpful suggestions and discussions. All errors are mine.
Simulation study on the evolution of thermodynamic, structural and dynamic properties during the crystallization process of liquid Na

The solidification properties of liquid Na during the crystallization process have been investigated at the microscopic level by using the molecular dynamics method. According to the evolutions of thermodynamic, structural and dynamic properties for liquid Na, its crystallization process below melting temperature Tm can be divided into three transition stages. The cluster tracing analyses based on the cluster-type index method show that both the cluster size and its internal structure determine whether it is a critical nucleus. The critical nucleus contains a metastable phase and possesses a non-spherical shape. The crystallization kinetic properties obtained from the atomic level by means of the cluster tracing analyses are in agreement with the basic solidification theory.
The electronic structure of biologically relevant Fe(0) systems

Recent experimental data from us and others indicate formation of Fe(0) complexes of biologically relevant systems, which may be involved in carbon dioxide reduction to CO. Here, density functional theory results are presented in heme Fe(0) models (relevant for proteins such as hemoglobin and peroxidases), including adducts with carbonate/CO2 and CO. The electronic structures of such formally Fe(0) complexes are found to involve descriptions ranging from clear Fe(II) (with the extra two electrons residing on the ligands) to an Fe(0) state proposed for an unprecedented Fe(0)OCO2 adduct. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem 110: 1848 -1856, 2010