Miracle-dz/UniFAR-FTUs huggingface dataset:
Isolation and Characterization of Ligands for the Goldfish Testicular Androgen Receptor from Kraft Mill Chemical Recovery Condensates

An investigation of cause was started in the 1990s at a bleached Kraft mill (BKM), located in Saint John NB, Canada. The 5 effect chemical recovery condensates waste stream (derived from wastewater generated during the pulping process) was identified as having the greatest potential for affecting mummichog (Fundulus heteroclitus), compared to the rest of the inmill waste streams. A solid phase extraction (SPE) protocol was utilized to isolate the causative chemicals in the condensate stream. Goldfish testicular androgen receptors (ARs) were exposed to five extracts: filter paper non-polar/polar, solid phase extraction nonpolar/polar, and residual condensates. The filter paper non-polar (FP-NP) extract contained a large quantity of ligands for the AR. A normal phase high performance liquid chromatography (HPLC) method was then developed to fractionate the FP-NP extract based on polarity, further isolating the androgenic compounds present in the condensates. Most of the androgenic activity (p<0.05) was isolated in one HPLC fraction, with a smaller amount of activity identified in 3 additional fractions, demonstrating the presence of multiple ligands. Gas chromatography mass spectrometry (GC-MS) analysis of the active HPLC fractions identified four different families of diterpenoid compounds probably responsible for most of the androgenic activity. The naturally occurring cyclic diterpene manool was identified as a novel androgenic compound. Manool accounted for 25 and 14 % of the androgenicity in the FP-NP extract and the main HPLC fraction, respectively. To investigate if the AR ligands identified in condensates were present in mill discharges, final effluent from the Saint John mill and 10 other mills from Canada (3), Brazil (5) and New Zealand (2) were analyzed for manool and androgenic activity. It was determined that final effluent from all mills exhibited iii androgenic activity in vitro. The highest levels of activity were consistently associated with solid phase extraction non-polar (SPE-NP) extracts of each effluent (with the exception of two mills), which ranged from -100-800 ng testosterone /L condensate (equivalent). Of the two excepted mills, one was a thermomechanical pulp mill that treated effluent with activated sludge, while the other was a kraft pulp mill, which utilized reverse osmosis (RO) to treat effluent. All other mills used biological treatment to treat effluent. The highest androgenic activity detected was 3500 ng/L, from the Saint John mill, which was also the only mill effluent that had detectable levels of manool (115 ng/L).
Bromate Formation in Ozone and Advanced Oxidation Processes

Both the direct ozone reaction and the indirect hydroxyl radical reaction are important in ozonation of drinking water. This article investigates the effectiveness of ozone versus the advanced oxidation process of ozone coupled with hydrogen peroxide in the formation of bromate. The investigation was conducted on a pilot scale at various H2O2:O3 dose ratios of 0.1, 0.2, and 0.35 at different times of the year. The results of this study show a reduction in bromate with the addition of hydrogen peroxide to an ozone system versus ozone alone. It was also observed that bromate increased with increased H2O2:O3 ratios; however, concentrations were still lower than those in the ozone only system.
The An+2BnB′O3n+3 Family (B=B′=Co): Ordered Intergrowth between 2H–BaCoO3 and Ca3Co2O6 Structures

Abstract The n integer members of the A n +2 B n B ′O 3 n +3 homologous series keeping B = B ′=Co the same have been characterized by selected area electron diffraction and high resolution electron microscopy. Its commensurate modulated structure is made up of chains, separated by A atoms, running along the c direction containing a succession of one Co atom ( B ′) in prismatic trigonal sites and n Co atoms octahedrally coordinated sharing faces. All of them can be described as ordered intergrowths of two structures of the end members of the family, 2H–BaCoO 3 ( n =∞) and Ca 3 Co 2 O 6 ( n =1). The modulation observed in all terms can be described as a function of the difference between the c -axis of the Co sublattice with respect to the 2H structure. Members of the series can be obtained by modifying the distance between layers keeping B =Co the same, as shown in (Sr 1− x Ba x ) 6 Co 5 O 15 ( n =4), Sr 5 Co 4 O 12 ( n =3), and (Sr 0.5 Ca 0.5 ) 4 Co 3 O 9 ( n =2).
Electronic Structure of CdSe Nanoparticles Adsorbed on Au Electrodes by an Organic Linker: Fermi Level Pinning of the HOMO

Assemblies of CdSe nanoparticles (NPs) on a dithiol-coated Au electrode were created, and their electronic energetics were quantified. This report describes the energy level alignment of the filled and unfilled electronic states of CdSe nanoparticles with respect to the Au Fermi level. Using cyclic voltammetry, it was possible to measure the energy of the filled states of the CdSe NPs with respect to the Au substrate relative to a Ag/AgNO3 electrode, and by using photoemission spectroscopy, it was possible to independently measure both the filled state energies (via single photon photoemission) and those of the unfilled states (via two photon photoemission) with respect to the vacuum level. Comparison of these two different measures shows good agreement with the IUPAC-accepted value of the absolute electrode potential. In contrast to the common model of energy level alignment, the experimental findings show that the CdSe filled states become ‘pinned’ to the Fermi level of the Au electrode, even for modera.
High-performance polystyrene/graphene-based nanocomposites with excellent anti-corrosion properties

This paper presents the first successful application of vinyl polymer/graphene-based nanocomposites in corrosion protection. Well-dispersed polystyrene (PS)/modified-GO nanocomposites were successfully prepared using in situ miniemulsion polymerisation. The as-prepared nanocomposites exhibit superior anti-corrosion properties compared with pure PS, in which the corrosion protection efficiency increased from 37.90% to 99.53% with the incorporation of 2 wt% modified GO in the PS polymer matrix. The thermal stability and mechanical properties also greatly improved compared with pure PS. The incorporation of 2 wt% modified GO in the PS polymer matrix increased the thermal decomposition temperature (Td) from approximately 298 to 372 °C, and the storage modulus increased from 1808.76 to 2802.36 MPa. This paper attributes the substantially improved properties to the nearly complete exfoliation of the modified-GO dispersion, which greatly enhanced the modified-GO/PS interfacial bond strength and gas barrier properties.
Desmopressin Stimulation Test: Worth to Use in Clinical Practise?

∆F and ∆F% were significantly higher in group I when compared to group II and III (p<0.01 and p<0.001, respectively). ∆ACTH and ∆ACTH% were also significantly higher in group I comparing with group II and III (p<0.001 and p<0.001, respectively). Positive response was observed in 10/14 (71.42%) of patients in group I, in 3/12 (25%) of patients in group II and in 3/14 (21.42%) of healthy subjects in group III. Interestingly 2/3 of patients with ectopic ACTH secretion showed positive response. The sensitivity of the test was 71.42% and the specificity was 76.92%. The diagnostic accuracy was found to be 75%.
EFFECT OF γ‐IRRADIATION ON THE CHEMICAL COMPOSITION AND ANTIOXIDANT PROPERTIES OF CUMIN EXTRACTS

The effect of γ-irradiation on the composition of cumin extracts and also their antioxidant properties were considered. The seeds before and after irradiation (10 and 25 kGy) were subjected to Clevenger extraction to obtain essential oils, and the constituents were identified by gas chromatography–mass spectrometry (GC/MS) analysis. In parallel, the hydroalcoholic extract was used for measuring flavonoid content, free-radical scavenging (2,2-diphenylpicrylhydrazyl assay) and antioxidant properties (β-carotene bleaching test). The results of 10 fractions separated by GC/MS indicated that the total percentage was not affected by γ-irradiation. γ-irradiation of cumin seeds also resulted in a nonsignificant change in flavonoid content of the hydroalcoholic extracts. The antioxidant activities of both extract showed potent activities which were not further altered in irradiated samples. These data suggest that γ-irradiation to cumin seeds is effective for maintaining the composition and antioxidant properties of the seeds. PRACTICAL APPLICATIONS Cumin is a traditional plant, originally cultivated in Iran and the Mediterranean region. Cumin is one of the most popular spices in the world widely used as a food flavoring agent. It is also used in Iranian traditional medicine for treatment of different diseases. Considering the contaminations of the seeds by microorganisms, their decontamination by γ-irradiation seems to be useful. In this study, the compositions and antioxidant activities of the extracts derived from γ-irradiated cumin seeds in comparison with nonirradiated ones will be achieved.
Studies of the ternary systems humic substances – kaolinite – Pu(III) and Pu(IV)

Abstract The behaviour of plutonium with respect to its migration in the aquifer has been studied under conditions close to nature. Most relevant under these conditions are Pu(III) and Pu(IV) in contact with humic substances (HS) and minerals. As a model for the host rock, kaolinite (KGa-1b) was chosen. The complexation of Pu(III) and Pu(IV) with Aldrich humic acid (AHA) in aqueous solution at ionic strength 0.1 M was investigated by the ultrafiltration method. The sorption of Pu(III) and Am(III) onto kaolinite (K) as a function of pH and metal-ion concentration was studied under aerobic and anaerobic conditions. The pH edge was found at pH∼5.5 independent of the metal-ion concentration and working atmosphere. The influence of HS on the sorption of Pu(III) and Pu(IV) onto kaolinite was investigated in the ternary systems Pu(III)-K-HS and Pu(IV)-K-HS and for comparison, in the system Th(IV)-K-HS. The dependence on pH, contact time, concentration of HS (for Pu(IV)-K-HS) was studied as well as the sequence in which the components were added. Generally, it was found that HS tend to enhance the sorption onto kaolinite below pH 6 and to decrease sorption at higher pH depending in detail on the sequence in which the components were added. An identification of the species sorbed on the surface of the kaolinite by X-ray absorption spectroscopy, as well as chemically, was attempted and preliminary results are discussed.
Association Between Fasting Plasma Glucose and Routine Coagulation Tests Rutin Koagülasyon Testleri ve Açlik Plazma Glukozu Arasindaki İli şki

Objective: The main goal of this study was to determine relat ionship between activated partial thromboplastin time (APTT), prothrombin time (PT), fibrinogen leve ls and fasting plasma glucose levels (FPG). Methods: In 5602 patients APTT, PT, fibrinogen and FPG leve ls were measured by routine methods. Patients were divided into three groups according to their F PG levels (euglycemic, impaired fasting glucose gro up (IFG) and diabetic group). Results: We found significantly shorter APTT values and incr eased fibrinogen levels in both diabetic group and IFG group when compared with the euglycemic group. Conclusion: Shortened APTT and increased fibrinogen levels in both diabetic group and IFG group could be a useful marker for evaluation of hemostatic state.
The role of organic and inorganic fractions of cow manure and biosolids on lead sorption

Organic and inorganic fractions of residuals can immobilize heavy metals in soil. The objective of this study was to investigate the role of organic carbon, easily reducible iron (Fe) and manganese (Mn), and free Fe oxides fractions of cow manure and biosolids (sewage sludge) on lead (Pb) sorption. In addition, Pb sorption capacity of a soil as affected by application of organic amendments was investigated. Sub-samples of organic amendments were separately treated for removal of organic carbon, easily reducible Fe and Mn, and free Fe oxides fractions. Organic carbon removal decreased the affinity of manure and biosolids for Pb sorption by 44.4% and 25.1% respectively. Removal of easily reducible Fe and Mn significantly decreased Pb sorption on the manure and biosolids by 28.1% and 19.8% respectively. Removing free Fe oxides from the manure decreased the Pb sorption by 12.5%, while increased the Pb sorption capacity of biosolids by 18%. Lead sorption was also separately measured for a soil treated with cow manure or biosolids at a rate of 10% w/w and compared to the control untreated soil. Application of 10% cow manure and biosolids to the soil significantly increased Pb sorption by 23.1 and 12.2% respectively. The results indicated that inorganic fraction of organic amendments plays an important role in Pb sorption, although the Pb sorption is not limited to the inorganic fraction.
Determination of absolute rate constants for the reversible hydrogen-atom transfer between thiyl radicals and alcohols or ethers

Absolute rate constants have been determined for the reversible hydrogen-transfer process R˙+ RSH ⇄ RH + RS˙ by pulse radiolysis, mainly through direct observation of the RS˙ radical formation kinetics in water–RH (1 : 1, v/v) mixtures. The thiols investigated were penicillamine and glutathione; the RH hydrogen donors were methanol, ethanol, propan-1-ol, propan-2-ol, ethylene glycol, tetrahydrofuran and 1,4-dioxane with the abstracted hydrogen being located α to the hydroxy or alkoxy function. Rate constants for the forward reaction of the above equilibrium (in radiation biology referred to as ‘repair’ reaction) were typically of the order of 107– 108 dm3 mol–1 s–1 while hydrogen abstraction from RH by thiyl radicals (reverse process) occurred with rate constants of the order of 103– 104 dm3 mol–1 s–1. This yields equilibrium constants of the order of 104. Based on these data, standard reduction potentials could be evaluated for the R′R″C˙OH/H+//R′R″CHOH, R′R″CO/H+//R′R″C˙(OH) and R′R″CO//R′R′C˙O– couples from methanol, ethanol and propan-2-ol. Effective hydrogen-atom abstraction by RS˙ required activation by neighbouring groups of the C—H bond to be cleaved in RH. No such process was observed for the RS˙ reaction with —CH3 groups, e.g. in 2-methylpropan-2-ol. Several halogenated hydrocarbons, including some anaesthetics (e.g. halothane) and Fe(CN)63– have been tested with respect to their ability to disturb the (CH3)2C˙OH + RSH ⇄(CH3)2CHOH + RS˙ equilibrium through an irreversible electron-transfer reaction with the reducing α-hydroxyl radical, thereby drawing the equilibrium to the lefthand side. The respective efficiencies are found to be related to the electronegativities of the electron acceptors. The results are briefly discussed in terms of their biological relevance.
Static Structure of Liquid Noble and Transition Metals by X-Ray Diffraction

X-ray diffraction patterns were obtained from liquid noble and transition metals (Cu, Ag, Au, Fe, Co, Ni) at temperatures between melting point mid 1650 °C. After calculating the structure factor (Fourier analysis), the atomic radial distribution function was evaluated from which interatomic distance and coordination number were obtained. Comparing the results with those observed previously by other researchers, adequate agreement was found. Rontgenbeugungsbilder von flussigen Edelmetallen und Ubergangsmetallen (Cu, Ag, Au, Fe, Co, Ni) wurden bei Temperaturen zwischen dem Schmelzpunkt und 1650 °C erhalten. Durch eine schon mehrfach dargestellte Methode (Fourier-Analyse) wurde der Strukturfaktor in eine radiale Atomverteilungsfunktion transformiert, aus der sich der mittlere Abstand nachster Atome und die Koordinationszahl ergeben. Bei einem Vergleich mit fruher von anderen Autoren angegebenen Daten wurde ausreichende Ubereinstimmung gefunden.
Crystallization of Sol–Gel Boehmite via Hydrothermal Annealing

Abstract Thin crystallites of boehmite were synthesized by annealing a sol–gel precursor under hydrothermal conditions. Samples were characterized with X-ray powder diffraction, thermogravimetry, transmission electron microscopy, and by refining the crystalline phases. Fresh samples consisted of boehmite sheets forming folded paper-like “crystallites,” which were transformed into thin flat crystalline plates perpendicular to crystallographic b -axis when they were annealed under hydrothermal conditions using water as mineralizer. Boehmite's crystallite size increased with the annealing time. The rhombic boehmite crystallites had their shortest diagonal parallel to crystallographic a -axis, and their lateral faces parallel to {101} planes forming an angle of 104.32° between each other; these planes contained active aluminum atoms responsible for the crystallites growing along them. The hydrogen bonding length, which decreased as crystallite size increased, determined the variation of boehmite's transition temperature into γ -alumina. Since this transformation is pseudo-morphic, both particle morphology and sample porosity of alumina were determined by the arrangement of crystallites in boehmite. γ -Alumina crystallite distribution had memory about boehmite crystallite dimensions and atomic arrangement: crystallites were oriented parallel to boehmite’s a axis, and were confined by boehmite's crystallite dimensions.
Electrons and Phonons: The Theory of Transport Phenomena in Solids

This study of the theory of electrical and thermal conduction in metals, semiconductors, and insulators is written at a level appropriate to graduate students and research workers and assumes some knowledge of wave mechanics in its reader. The basic ideas of crystal lattice dynamics, electron zone structure, and transport theory are developed from first principles, and formulae for the macroscopic coefficients are deduced by self-contained mathematical arguments. Interpretation in terms of electronic structure, chemical purity, crystal structure, and crystal perfection is emphasized as a tool for further investigation but detailed discussion of individual means or alloys is avoided.
Prediction of Nuclear Magnetic Resonance Carbon Fractions in Decomposing Forest Litter Using Diffuse Reflectance Infrared Fourier Transform Spectroscopy and Partial Least Squares Regression

A diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy method was developed to enable DRIFT to be used as a substitute for 13C-nuclear magnetic resonance (13C-NMR) spectroscopy in predicting specific functional groups containing carbon. As part of the Canadian Intersite Decomposition Study, samples of 10 foliar litter types (trembling aspen, American beech, bracken fern, black spruce, Douglas-fir, plains rough fescue, jack pine, tamarack, white birch, western redcedar) and one wood type (western hemlock) at one site and a subset of three foliar litters (trembling aspen, black spruce, plains rough fescue) at three other colder sites undergoing field exposure for 12 years were annually collected. The DRIFT spectra were collected for all samples, with a subset of litter samples also analyzed by 13C-NMR spectroscopy with cross-polarization and magic-angle spinning. Partial least squares calibrations were calculated from the DRIFT spectra for the seven NMR regions representing specific carbon-containing functional groups. These calibrations were then used to predict the proportion of each NMR region in each sample. A single nondestructive sampling using as little as 0.5 g of sample gave measurements for all of the NMR regions. The DRIFT was demonstrated as a fast and simple analysis method for analyzing large numbers of samples to give fair estimates of the NMR regions for each litter type at all four sites.
Mathematical modeling of polymer exchange membrane fuel cells

Fuel cells are predicted to be the power delivery devices of the future. They have many advantages such as the wide fuel selection, high energy density, high efficiency and an inherent safety which explains the immense interest in this power source. The need for advanced designs has been limited by the lack of understanding of the transport processes inside the fuel cell stack. The reactant gases undergo many processes in a fuel cell that cannot be observed. Some of these processes include convective and diffusional mass transport through various types of materials, phase change and chemical reaction. In order to optimize these variables, an accurate mathematical model can provide a valuable tool to gain insight into the processes that are occurring. The goal of this dissertation is to develop a mathematical model for polymer electrolyte-based fuel cells to help contribute to a better understanding of fuel cell mass, heat and charge transport phenomena, to ultimately design more efficient fuel cells. The model is a two-phase, transient mathematical model created with MATLAB. The model was created by using each fuel cell layer as a control volume. In addition, each fuel cell layer was further divided into the number of nodes that the user inputs into the model. Transient heat and mass transfer equations were created for each node. The catalyst xx layers were modeled using porous electrode equations and the Butler-Volmer equation. The membrane model used Fick’s law of diffusion and a set of empirical relations for water uptake and conductivity. Additional work performed for this dissertation includes a mathematical model for predicting bolt torque, and the design and fabrication of four fuel cell stacks ranging in size from macro to micro scale for model validation. The work performed in this dissertation will help improve the designs of polymer electrolyte fuel cells, and other polymer membrane-based fuel cells (such as direct methanol fuel cells) in the future.