Miracle-dz/UniFAR-FTUs huggingface dataset:
Spatial and temporal variation and air–soil exchange of atmospheric PAHs and PCBs in an industrial region

Abstract It was recently suggested that emissions of some persistent organic pollutants (POPs) are decreasing in former use regions due to emission reductions combined with uncontrolled export, at the expense of regions receiving these substances as obsolete products and wastes. Aliaga industrial region in Izmir, Turkey is one of the regions receiving POPs in the form of scrap iron and old ships to be scrapped. Ambient air samples were collected by passive sampling during four seasons in 2009 and 2010 (winter, spring, summer, and fall) at forty different sites in Aliaga to determine the spatial and seasonal variations of polycyclic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs). Soil samples were also collected at the air sampling sites during the summer period. Phenanthrene was the most abundant PAH at all sites, and all samples were dominated by low to medium molecular weight PAHs, i.e., fluorene, fluoranthene and pyrene. The spatial distribution of ambient PAH concentrations indicated that the major PAH sources in the region were iron–steel plants, petroleum refinery, and ship dismantling plants. At residential sites, PAH concentrations were higher in winter indicating that wintertime concentrations were mainly affected by residential heating emissions. However, highest atmospheric PCBs concentrations were observed in summer, probably due to increased volatilization from their sources at higher temperatures. Low to medium molecular weight PCBs (tri–, tetra–, penta–CBs) were the most abundant compounds in air for all seasons. Results also indicated that iron–steel plants and ship dismantling facilities were the major PCB emitters in the region. A similar spatial variation was observed for soil PAH and PCB concentrations. Air and soil PAH and PCB concentrations were correlated significantly indicating the interaction of these compartments. Results of the fugacity ratio calculations indicated that local soils generally act as a sink throughout the year for medium to low volatility atmospheric PAHs and PCBs. However, during summer soil becomes a source, especially for volatile PAHs and PCBs.
Phase Diagram of a Model Adhesive Hard-Sphere Dispersion

Abstract Using various experimental techniques, the phase diagram of an adhesive hard-sphere dispersion is constructed. The dispersion exists of spherical silicium oxide particles coated with stearyl alcohol dispersed in benzene. In addition to the binodal and spinodal curves corresponding to a gas-liquid transition, a gel phase is found in which the Brownian particles form an interconnected static structure. The gas-liquid critical point is located at a volume fraction of 0.19. The gel line intersects the critical point. At smaller volume fractions the gel line is located below the spinodal curve, in the unstable region of the phase diagram. For larger volume fractions, the gel line is located above the binodal curve. We also report some preliminary light scattering experiments on spinodal decomposition.
A mechanistic study on amphiphilic block co-polymer poly(butadiene-b-(ethylene oxide)) vesicles reveals the water permeation mechanism through a polymeric bilayer

The objective of this work is to study the interdependence between the membrane tension and osmotic permeability of a di-block copolymer PBD-PEO (poly(butadiene-b-(ethylene oxide))) bilayer. Experiments were conducted to decouple the contribution of membrane tension into (1) PEO conformation; (2) area stretching modulus (κa); (3) bending rigidity modulus (κc); (4) chemical crosslinking on the PBD segment. A range of different PBD-PEO block copolymer formulations has been included with similar hydrophilic/lipophilic balance (HLB) factor and end-group for a systematic comparative study. We have also demonstrated the applicability of a membrane probe, laurdan, to study small-to-medium molecular weight PBD-PEO polymersomes and the results are consistent with area stretching and bending rigidity moduli measured otherwise. In addition, we are able to correlate the membrane rigidity with the osmotic permeability, to fortify our conclusion that the solute permeation mechanism through the block copolymer bilayer is dominated by (1) mass transfer at the interfacial region, and (2) diffusion through the hydrophobic segment. By subjecting the block polymer to chemical crosslinking in the PBD segment, the polymer was engineered to be much more rigid and much less permeable to osmotic flux.
ORDERING IN DENSE FIBER BUNDLES, THE PHYLLOTACTIC SOLUTION AND ITS APPLICATION TO COLLAGEN FIBRILS

The shape of the cross section of a dense fiber bundle is related to the symmetry of its molecular packing. However, this statement might be belied by type I collagen fibrils which have a rounded section of high symmetry while structural studies suggest that their molecules are assembled with a long range lateral order of lower symmetry. We examine how phyllotaxis, which is a nonconventional crystallographic solution to packing efficiency in situations of high radial symmetry, can establish a link between those two apparently conflicting points. The lateral order imposed by the algorithm of phyllotaxis, which implies an enlargement of the notion of long range lateral order beyond that used for classical crystals, provides a basis for a new analysis of the experimental data.
Shape-controlled metal nanoparticles and their assemblies with optical functionalities

Metal nanoparticles (NPs) possess excellent optical, optoelectronic, and optochemical properties based on their surface plasmon resonance. However, for practical use, the morphology and assembly of metal NPs need to be controlled. Here, we review facile control methods including seed-mediated growth accompanied with a comproportionation reaction of seeds to control their morphology and assembly. Several synthetic conditions have been modified to precisely control the morphology of metal NPs. Functionalized mesoporous oxides have also been used as hard templates to align metal nanorods and control their dimensions. The high performance of such metal nanorods in surface-enhanced Raman scattering, polarization of light, and photocatalysis has been measured, and the reasons for their high performance are discussed.
Statistics of the entanglement of polymers: Concentration effects

Central concepts of the reptation model of polymer relaxation by disentanglement are the confining tube, the primitive path, and the entanglement net. These are given more precise definitions and are expounded upon here. The entanglement net is regarded as the set of primitive paths of the molecules. The scaling relation connecting distance between entanglements and concentration is derived by a self‐consistency argument. Explicit results on probability distributions characterizing unentangled loops and primitive path lengths are derived. The polymers are modeled as random walks in a regular entanglement net. Results are presented as a function of the spacing between entanglements.
Thermoresponsive Dendronized Polymers

The efficient synthesis of high molar mass, first- (G1) and second-generation (G2) dendronized polymethacrylate derivatives PG1 and PG2, respectively, and their thermoresponsive properties in aqueous solution are described. All dendrons are branched 3-fold and were synthesized on the multigram scale using gallic acid as branching point and tri(ethylene glycol) (TEG) units as linker. The corresponding macromonomers carry methoxy groups in the periphery and are water-soluble, which allows polymerizing in aqueous medium. For comparison, PG1 and PG2 were also prepared in DMF solution and in bulk. These polymers are fully soluble in water at room temperature and turn turbid at elevated temperatures (approximately 62−65 °C), a phenomenon that is typically referred to as thermoresponsiveness. This phase transition was investigated by 1H NMR spectroscopy and turbidity measurements using UV/vis spectroscopy. The effect of molar mass and concentration on this transition was examined. In accordance with the normal u.
A COMPARATIVE STUDY CONCERNING THE IMAGE ANALYSIS IN THIN LAYER CHROMATOGRAPHY OF FLUORESCENT COMPOUNDS

The use of image analysis software for the detection and quantitative evaluation of fluorescent compounds in thin layer chromatography is investigated. Four different image analysis software packages (Sorbfil TLC, Biodit, JustTLC, and Melanie) were applied and compared. The image analysis methods were developed and validated for the simultaneous determination of quercetin and kaempferol in food supplements. The chromatographic separation used Silica gel 60 TLC plates as the stationary phase and carbon tetrachloride:acetone:formic acid (35:11:3, v/v/v) as the mobile phase. The plate images were recorded by a digital camera and imported in the image analysis software. The final results were validated by evaluating the linearity, precision, and accuracy of the methods used to quantify synthetic and real samples. All the results suggest that the image analysis software packages are proper to investigate the fluorescent compounds in quantitative thin layer chromatography.
Injury and yield response of cotton to chronic doses of ozone and sulfur dioxide

Knowledge of relationships between chronic doses of O/sub 3/ and crop yield is required to set air-quality standards that protect agricultural interests and to determine the need to develop resistant cultivars of sensitive species. Open-top field chamber studies have provided some information of this type for a few crop species including one western cultivar of cotton. The authors objectives were to measure relationships between chronic doses of O/sub 3/ and yield of an eastern cotton cultivar and to determine whether these relationships could be affected by chronic doses of SO/sub 2/. Stoneville 213 was exposed in open-top field chambers to five doses O/sub 3/ and four doses of SO/sub 2/ singly, and in all possible combinations. Exposures began when first foliar leaves were expanding and continued until final harvest. Doses of SO/sub 3/ at levels greater than those occurring regionally did not significantly change cotton response to O/sub 3/.
Comparison and analysis of Pd‐ and Pt‐GaAs Schottky diodes for hydrogen detection

Hydrogen‐sensing behaviors of Pd‐ and Pt‐GaAs Schottky diodes, fabricated on the same GaAs substrate, have been systematically compared and analyzed as a function of hydrogen partial pressure and temperature by I‐V and ΔI‐t methods under steady‐state and transient conditions. The effects of hydrogen adsorption on the device parameters such as the barrier height and the ideality factor are investigated. The significant differences in their hydrogen sensing characteristics have been examined in terms of sensitivity limit, linearity of response, response rate, and response time. Adsorption activation energy of hydrogen and the heat of adsorption per hydrogen molecule on the surface of Pd and Pt are investigated and compared in both devices in a low‐temperature range (27–100 °C). For the temperature range investigated, Pd‐GaAs shows better performance for H2 detection than Pt‐GaAs under the same testing conditions. The physical and chemical mechanisms responsible for hydrogen detection are discussed. Analysis.
Towards three-dimensional quantitative reconstruction of cement microstructure by X-ray diffraction microtomography

Quantitative characterization of the microstructure of cement-based materials is of fundamental importance for assessing the performance and durability of the final products. However, accessing the three-dimensional microstructural information of hydrating cement pastes without introducing any perturbation is not trivial. Recently, a novel non-invasive method based on X-ray diffraction computed microtomography (XRD-CT) has been applied to cement-based materials, with the aim of describing the three-dimensional spatial distribution of selected phases during the hydration of the cement paste. This paper illustrates a method based on XRD-CT, combined with Rietveld-based quantitative phase analysis and image processing, which provides quantitative information relative to the distribution of the various phases present in the studied samples. In particular, it is shown how this method allows the estimation of the local volume fraction of the phase ettringite within a hydrating cement paste, and construction of a three-dimensional distribution map. Application of this method to the various constituents of a cementitious material, or, more generally, of a composite polycrystalline material, may provide a non-invasive tool for three-dimensional microstructural quantitative characterization.
A Deep Learning Approach on Industrial Pyrolysis Reactor Monitoring

The pyrolysis process monitoring is always challenging due to the high operating temperature inside a fired furnace. To obtain better understanding of the pyrolysis reactors, we proposed a monitoring framework that builds upon thermal photography to provide a detailed view inside the fired furnace. Based on the infrared photos, the convolutional neural network is introduced into the monitoring framework to automatically recognize tube regions from the photos. In this work, a segmentation network is proposed based on the U-Net and ResNet-50 frameworks, by which the precise temperature and shape information on tube regions can be extracted from the raw photos. After extracting the important monitoring measurements, a control limit is drawn by the adaptive k-nearest neighbor method to detect abnormal conditions. The testing result indicates that the proposed monitoring framework provides in-depth information of the reactor and detailed fault diagnosis to process operators.
Direct speciation analysis of inorganic elements in single cells using X-ray absorption spectroscopy

Up to now, X-ray absorption spectroscopy (XAS), which includes XANES (X-ray absorption near edge structure) and EXAFS (Extended X-ray absorption fine structure), was mainly used with unfocused beams. The recent development of X-ray focusing optics, with spatial resolution down to the micrometre level while maintaining high photon fluxes, has opened the field of XAS application to single cell analysis. Micro-XAS enables the characterization of the local structure of the elements within subcellular structures in terms of oxidation state, site ligation, and coordination. It has been mainly applied to the determination of trace metal oxidation states using micro-XANES, and in some favorable cases to identify the molecules binding to the metals in cells. Due to the minute quantity of analytes in subcellular compartments, micro-EXAFS is still more challenging to perform than micro-XANES as it requires higher signal to noise ratios. Micro-XAS has proven to be useful in various fields of research such as metal-based neuro-degeneration, cellular pharmacology, trace element physiology and metal toxicology. Micro-XAS presents unique capabilities over other speciation methods because it can be performed in situ, directly in subcellular compartments, without cell fractionation which is prone to modify the chemical element species. However, the stability of chemical element species all along the analytical procedure, from sample preparation to storage and analysis should be tested systematically.
Electrokinetic properties of acrylic acid‐ and methacrylic acid‐grafted polypropylene during chemically initiated graft copolymerization

Electrokinetic properties such as zeta potential (ζ), surface charge density (σ) and surface conductivity (Ks) of polypropylene fibers and those grafted with acrylic acid and methacrylic acid have been studied using the streaming potential method. At pH 7, the zeta potential of −58.5 mV for control fibers reduced with increase in the amount of acrylic acid (16.2%) and methacrylic acid (28.2%) grafts to −38.15 mV and −38.30 mV, respectively. The drop in the negative zeta potential value is attributed to rendering polypropylene hydrophilic. The acrylic acid graft was found to be more effective than the equivalent amount of methacrylic acid graft in this respect due to the different chemical characters of the two graft copolymers. The negative zeta potential was also reduced to a considerable extent when cationic dye solution was streamed through the grafted polypropylene fibers, which is attributed to the deposition of dye cations on the negatively charged surface of the grafted fibers. The results on surface charge density and surface conductivity also indicated the hydrophilic character of grafted polypropylene.
Electronic Structure of CoO Nanocrystals and a Single Crystal Probed by Resonant X-ray Emission Spectroscopy

We have performed 2p X-ray absorption (XAS) and 2p3d resonant X-ray emission (RXES) experiments on a CoO bulk single crystal as well as on 4.2 nm CoO nanocrystals. The single crystal data were measured with linearly polarized incident X-rays in the scattering and perpendicular to the scattering plane. An unprecedented total experimental resolution of 100 meV allowed the first X-ray observation of the CoO 4T1g(4F) manifold that occurs 120 meV above ground state. Detailed theoretical modeling was performed to assess the tetragonal crystal field splitting, spin–orbit, and superexchange parameters for both the single crystal and the nanocrystals. We show that 2p XAS is mainly sensitive to the octahedral field and 3d spin–orbit coupling, while the 4T1g(4F) manifold in 2p3d RXES probes the tetragonal distortion and the superexchange interactions with high sensitivity. We observe that the nanocrystals have a reduced cubic crystal field splitting and a broadened 4T1g(4F) RXES manifold that we ascribe to a larger .
Synthesis and properties of two novel regioregular conjugated polythiophenes with side-chain containing different substituted end groups

Two soluble conjugated polythiophenes, poly[3-(N-butyl-4-piperidinemethylene)-thiophene] (P3BLMT), and poly[3-(N-butyryl-4-piperidinemethylene)-thiophene] (P3BRMT) have been synthesized successfully in chloroform using FeCl3 as an oxidizing agent. In P3BLMT and P3BRMT, substituted piperidine rings are connected with the polythiophene backbone through carbon–carbon double bond. While in the two polythiophenes, the significant difference is the substituent linked to the N-atom of the piperidine effectively. Structures of the monomers and the corresponding soluble polymers were elucidated by 1H NMR, 13C NMR, and IR. Average molecular weights have been determined by gel permeation chromatography. Photoluminescence spectra and ultraviolet–visible spectra of the two polythiophenes in both solution and solid states were also investigated, and all peaks were bathochromically shifted when they were measured in the solid state. The results of optical and electrochemical measurements indicate that the carbonyl group on the side-chain has obvious influence on the electrochemical properties of the conjugated polythiophenes. In addition, the polymers were also characterized by cyclic voltammetry and scanning electron microscopy.
Crystal structure of lanthanum oxyorthosilicate, La2SiO5

The crystal structure of La2SiO5 was refined from laboratory X-ray powder diffraction data (CuKα1) using the Rietveld method. The crystal structure is monoclinic (space group P21∕c,Z=4) with lattice dimensions a=0.93320(2) nm, b=0.75088(1) nm, c=0.70332(1) nm, β=108.679(1)°, and V=0.46687(1) nm3. The final reliability indices were Rwp=7.14%, RP=5.52%, and RB=3.83%. There are two La sites in the structural model, La1 and La2. La1 is ninefold coordinated to oxygen, forming a tricapped trigonal prism with a mean La1-O distance of 0.263 nm. The La2O7 coordination polyhedron is a distorted capped octahedron with a mean La2-O distance of 0.251 nm. The La1O9 polyhedra share faces and the La2O7 polyhedra share edges, forming two sets of sheets that alternate parallel to the (100) plane. These sheets are linked through SiO4 tetrahedra and non-silicon-bonded oxygen atoms to form a three-dimensional structure. This compound is isomorphous with the low-temperature (X1) phases of R2SiO5 (R=Y and Gd). The volumes of RO9 polyhedra steadily increase with increasing ionic radius of R, from Y3+ to Gd3+ to La3+, which causes substantial volumetric expansion of the crystals.
Crystal Growth of Calcium Carbonate in Hydrogels as a Model of Biomineralization

In recent years, the prevalence of hydrogel‐like organic matrices in biomineralization has gained attention as a route to synthesizing a diverse range of crystalline structures. Here, examples of hydrogels in biological, as well as synthetic, bio‐inspired systems are discussed. Particular attention is given to understanding the physical versus chemical effects of a broad range of hydrogel matrices and their role in directing polymorph selectivity and morphological control in the calcium carbonate system. Finally, recent data regarding hydrogel‐matrix incorporation into the growing crystals is discussed and a mechanism for the formation of these single‐crystal composite materials is presented.
Sea lice in the North Pacific: from sub-lethal effects on wild salmon to parasite management and policy

Pathogens threaten wildlife globally, but these impacts are not restricted to direct mortality from disease. For fish, which experience periods of extremely high mortality during their early life history, infections may primarily influence population dynamics and conservation through sub-lethal effects on ecological processes such as competition and predation. I conducted a competitive foraging experiment using out-migrating juvenile Fraser River sockeye salmon (Oncorhynchus nerka) to determine whether fish with high abundances of parasitic sea lice (Caligus clemensi and Lepeophtheirus salmonis) have reduced competitive abilities when foraging. Highly infected sockeye were 20% less successful at consuming food, on average, than lightly infected fish. Competitive ability also increased with fish body size. My results provide the first evidence that parasite exposure may have negative sub-lethal effects on fitness of juvenile sockeye salmon, and suggest that sub-lethal effects of pathogens may be of key importance for the conservation of marine fish.
Optimization of bioethanol production from cassava peel using statistical experimental design

The bioethanol production from industrial residues is acquiring attraction as a strategy for increasing energy security. The aim of present study is to optimize the production of bioethanol from cassava peel using statistical experimental design. The total carbohydrate content of about 90% in cassava peel was subjected to enzymatic liquefaction followed by simultaneous saccharification and fermentation (SSF) for ethanol production. Based on Plackett–Burman design, three factors viz., substrate concentration (10–70 g/L), α‐amylase concentration (5–25% [v/v]) and SSF mixture containing glucoamylase and Zymomonas mobilis (5.15%–25.75% [v/v]) were found to have significant effect among 11 factors selected for screening. These factors were optimized by Box–Behnken design to yield second order polynomial model. The ethanol concentration increased significantly from 4.25 to 33.17 g/L with increase in substrate concentration from 10 to 70 g/L. The maximum ethanol concentration obtained under optimum conditions of 69.82 g/L substrate concentration, 24.74% (v/v) α‐amylase concentration and 5.22% (v/v) SSF mixture were 35.018 and 35.010 g/L (83% yield) based on mathematical model and experiments, respectively. The results indicate cassava peel could serve as a potential substrate for ethanol production and the ability of the statistical modeling for the optimization of process conditions was also confirmed. © 2014 American Institute of Chemical Engineers Environ Prog, 34: 567–574, 2015