Miracle-dz/UniFAR-FTUs huggingface dataset:
Forward Osmosis/Low Pressure Reverse Osmosis for Water Reuse: Removal of Organic Micropollutants, Fouling and Cleaning

Forward Osmosis/Low Pressure Reverse Osmosis for Water Reuse: Removal of Organic Micropollutants, Fouling and Cleaning Rodrigo Valladares Linares Forward osmosis (FO) is a natural process in which a solution with high concentration of solutes is diluted when being in contact, through a semipermeable membrane, with a low concentration solution. This osmotic process has been demonstrated to be efficient to recover wastewater effluents while diluting a saline draw solution. Nevertheless, the study of the removal of micropollutants by FO is barely described in the literature. This research focuses on the removal of these substances spiked in a secondary wastewater effluent, while diluting water from the Red Sea, generating feed water that can be desalinated with a low pressure reverse osmosis (LPRO) system. Another goal of this work is to characterize the fouling of the FO membrane, and its effect on micropollutants rejection, as well as the membrane cleaning efficiency of different methods. When considering only FO with a clean membrane, the rejection of the hydrophilic neutral compounds was between 48.6% and 84.7%, for the hydrophobic neutrals the rejection ranged from 40.0% to 87.5%, and for the ionic compounds the rejections were between 92.9% and 96.5%. With a fouled membrane, the rejections were between 44.6% to 95.2%, 48.7% to 91.5% and 96.9% to 98.6%, respectively. These results suggest that, except for the hydrophilic neutral compounds, the rejection of the micropollutants is increased by the fouling layer, possibly due to the higher hydrophilicity of the FO fouled 4 membrane compared to the clean one, the increased adsorption capacity and reduced mass transport capacity, membrane swelling, and the higher negative charge of the surface, related to the foulants. However, when coupled with low pressure reverse osmosis, the rejections for both, the clean and fouled membrane, increased above 98%. The fouling layer, after characterizing the wastewater effluent and the concentrated wastewater after the FO process, proved to be composed of biopolymers, which can be removed with air scouring during short periods of time, reaching a flux recovery of more than 90%, proving that this cleaning method is very effective; chemical cleaning was effective against transparent exopolymer particles (TEP) attached to the support layer of the membrane.
Analysis of fuel temperature effects on reactivity of light water reactor fuel assemblies by using MVP-2 adopting an exact resonance elastic scattering model

ABSTRACT Using the continuous-energy Monte Carlo code MVP-2 adopting a resonance elastic scattering model considering the thermal motion of a target nucleus (the exact model) for major heavy nuclides, analysis of fuel temperature effects on reactivity of mockup UO2 and MOX fuel assemblies for light water reactors was performed, and the results were compared with those of the conventional asymptotic model. A base condition was a hot operating condition with an in-channel void fraction of 40% and fuel temperature of 520 ℃ for the BWR fuel assemblies and a hot zero-power condition with fuel temperature of 284 ℃ for the PWR fuel assemblies. The fuel temperature of a high-temperature condition was 1500 ℃ for both types of assemblies. The calculated results showed that the exact model made the neutron multiplication factors at the high-temperature condition lower by −220 to −440 pcm (10−5 Δk) and the Doppler reactivity between the base- and high-temperature conditions more negative by 7% to 10% compared with those obtained by the asymptotic model. The energy-dependent reaction rates of capture and ν-fission were also analyzed to study the detail mechanism in the effect of the exact model on the assembly reactivity.
Platin und Palladium mit und in komplexen Anionen

Die Arbeit befasst sich mit der Synthese und Charakterisierung neuer Verbindungen der Edelmetalle Platin und Palladium. Im Vordergrund stehen dabei die Untersuchungen ihrer thermischen Eigenschaften. Die Umsetzung von Nitraten bzw. Chloriden der Selten-Erd-Elemente mit Platinsauren lieferte die ersten Vertreter der neuen Substanzklasse der Lanthanoid-Chloroplatinate. Die Reaktion eines Lanthanoid-Chloroplatinats mit konzentrier-ter Schwefelsaure liefert das Lanthanoid-Platin(III)-Sulfat Gd2[Pt2(SO4)4(HSO4)2](HSO4)2, in dem erstmalig das [Pt2(SO4)4(HSO4)2]4--Anion beobachtet wird, welches die fur Pt3+-Ionen typische Pt26+-Hantel enthalt. Bei der Umsetzung von elementarem Palladium mit Selensaure kann in Abhangigkeit von den Reaktionsbedingungen Pd(SeO3) und Pd(SeO4) dargestellt werden. Wird zu der Reaktionsmischung SeO3 hinzu gegeben, kann die Bildung von Pd(Se2O5) beobachtet werden. Bei diesen Verbindungen handelt es sich um die ersten strukturell charakterisierten Oxo-Selenate(IV/VI) des Palladiums.
Adsorption of Cu (II) and Zn (II) from Water by Jatropha curcas L. as Biosorbent

Abstract The objective of this work was to evaluate the removal of Cu2+ and Zn2+ in water by means of the adsorption process using three biosorbents derived from jatropha biomass (bark, endosperm and endosperm + seed coat). The experiments were performed in batch and evaluated the effect of solution pH, adsorbent mass, contact time, different initial concentrations of the metals Cu2+ and Zn2+, and the temperature of the solution during the adsorptive process. By kinetics, the adsorption isotherms and thermodynamics the mechanisms that control the adsorptive process were evaluated. The optimal conditions for the realization of the adsorptive process for both metals were: solution pH of 5.0 and 8 g L-1 of adsorbent mass per volume of solution, with a contact time between adsorbent and adsorbate of 60 min. According to the Langmuir model, the maximum adsorption capacities for the bark, endosperm and endosperm + seed coat of Jatropha were, respectively, for Cu2+ 11.541, 20.475 and 22.910 mg g-1, and for Zn2+ 14.852; 15.888 and 14.674 mg g-1, with the predominance of chemisorption in monolayer. The three biosorbents derived from the biomass of Jatropha have potential for the remediation of water contaminated with Cu2+ and Zn2+.
On evaluating applied water balance research

The formula for the water balance, which is shown to be more than a collection of abbreviations, exists of the summation of several terms. Each term represents the value obtained after investigating the phenomenon described by that term. The visible result of the balance, the amount of water discharged from a watershed, can be measured directly or can be forecasted with the aid of the other terms of the balance. Progress in knowledge of the terms or of the balance as a whole, is obtained if, after each new investigation large discrepancies between observed and forecasted values occur with smaller probabilities of exceedance. The relationship between these probabilities and an a priori given size of the discrepancies is dealt with in this paper and the advantage of knowledge of the corresponding distribution functions is shown. Application of these ideas to all terms of the balance separately is an aid in making applied research decisions when the practical requirements are known.
Synthetic cobalt clays for the storage and slow release of therapeutic nitric oxide

Nitric oxide (NO) is one of the smallest endogenous molecules with particularly interesting aspect roles in biological systems, despite its toxicological potential. Solid carriers have potential biomedical interest in the delivery of exogenous NO for anti-bacterial, anti-thrombic and wound healing applications. In this work, a smectite clay was successfully synthetized with incorporated cobalt ions in its structure, with the main goal of studying its potential in the field of storage and release of nitric oxide for therapeutic applications. Materials were characterized by X-ray diffraction, nitrogen adsorption at −196 °C, TG-DSC and chemical analysis. The kinetic data for the nitric oxide storage and release was obtained in gas and in liquid phases. The released amounts of NO in the liquid phase were within the biological range and slow release kinetics were obtained with, inclusively, an almost direct relation between the released fraction and time. Toxicological assays with HeLa cells indicated that the materials have low cytotoxicity.
Metabolism of reactive oxygen species and contents of osmotic substances in watermelon seedlings under salinity stress.

The experiment was carried out to study the effect of NaCl stress on the reactive oxygen species metabolism and osmoticum content of watermelon(Citrullus lanatus) seedlings in hydroponically.The results showed that NaCl stress inhibited obviously the growth of watermelon seedling,and the extent of inhibition for 'Xiuya' was less than that for 'Xiuli';With increasing NaCl concentration,O-·2 production rate,MDA content and membrane permeability in leaves of both cultivars significantly increased,and increased range of 'Xiuli' obviously exceeded 'Xiuya'. POD activity declined under the low concentration of NaCl and increased under the high concentration of NaCl.CAT and APX activities,and ascorbic acid content apparently increased with increasing NaCl concentration.SOD activity showed different regularity for two cultivars.Proline and soluble sugar contents significantly increased with increasing NaCl concentration.Soluble protein content increased under the low concentration of NaCl and decreased under the high concentration of NaCl.Besides soluble protein content,the activities of antioxidant enzymes,contents of ascorbic acid and osmotic substances in the leaves of 'Xiuya' were obviously higher than that in 'Xiuli' beyond 50 mmol·L-1 NaCl.The research revealed that salinity seriously inhibited the growth of watermelon seedlings,destroyed the structure of cell membrane,influenced normal metabolism of reactive oxygen species and osmoticum.The extent of growth inhibition and lipid peroxidation of 'Xiuya' seedling were lower than that of 'Xiuli',which was related with high activities of antioxidant enzymes and high content of osmotic substances.
Course-of-values recursion in Martin-Löf's type theory

To facilitate reasoning about programs in Martin-Lof's Type Theory, the introduction of general recursion operators has been studied. This allows a more conventional programming style, being possible to sepárate the termination proof of the program from the proof of other properties. This work experiments with this idea studying Course-of-Valúes induction for Nat ural Numbers. An induction rule is derivad from natural induction, obtaining an expression for a recursion operator. A propositional equality that expresses the behavior of the obtained operator is proved. This equality will be usefull when proving properties of programs. ALF is used as editor of Martin-Lof's monomorphic Set Theory and checker of all the proofs.
Spectroscopic (FT-IR, FT-Raman, 1H and 13C NMR) and theoretical studies of p-coumaric acid and alkali metal p-coumarates

The evaluation of the electronic charge distribution in metal complexes enables more precise interpretation of mechanism by which particular metal ions affect biochemical properties of ligands [J. Inorg. Biochem. 99 (2005), 1407–1423, J. Mol. Struct. 919 (2009), 284–289]. In this paper we investigated the influence of alkali metal cations (lithium, sodium, potassium, rubidium and cesium) on the electronic structure of p-coumaric acid (p-CA). It allowed to observe the systematic changes in the spectra of investigated complexes depending on the position of the element in the periodic table. p-Coumaric acid is a derivative of cinnamic acid that occurs in several plant species. Li, Na, K, Rb and Cs p-coumarates were synthesized and the experimental and theoretical FT-IR, FT-Raman, 1H and 13C NMR spectra of p-coumaric acid and its salts were registered and analyzed. The structures, atomic charges, infrared and NMR spectra of p-coumaric acid and Li, Na, K salts were calculated by B3LYP/6-311
Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes

The solid-state structures of all members in the series of trichalcogenaferrocenophanes [Fe(C5H4E)2E′] (E, E′ = S, Se, Te) (1–9) have been explored to understand the trends in secondary bonding interactions (SBIs) between chalcogen elements sulfur, selenium, and tellurium. To complete the series, the crystal structures of the four hitherto unknown complexes [Fe(C5H4S)2Te] (3), [Fe(C5H4Se)2S] (4), [Fe(C5H4Se)2Te] (6), and [Fe(C5H4Te)2S] (7) have been determined in this contribution. The packings of all complexes 1–9 were considered by DFT calculations at the PBE0/pob-TZVP level of theory using periodic boundary conditions. The intermolecular close contacts were considered by QTAIM and NBO analyses. The isomorphous complexes [Fe(C5H4S)2S] (1), [Fe(C5H4S)2Se] (2), and [Fe(C5H4Se)2Se] (5a) form dimers via weak interactions between the central chalcogen atoms of the two trichalcogena chains of adjacent complexes. In the second isomorphous series consisting of [Fe(C5H4Se)2S] (4) and 5b, the complexes are linked together into continuous chains by short contacts via the terminal selenium atoms. The intermolecular chalcogen–chalcogen interactions are significantly stronger in complexes [Fe(C5H4S)2Te] (3), [Fe(C5H4Se)2Te] (6), and [Fe(C5H4Te)2E′] (E′ = S, Se, Te) (7–9), which contain tellurium. The NBO comparison of donor–acceptor interactions in the lattices of [Fe(C5H4S)2S] (1), [Fe(C5H4Se)2Se] (5a and 5b), and [Fe(C5H4Te)2Te] (9) indeed shows that the n(5pTe)2 → σ*(Te–Te) interactions in 9 are the strongest. All other interaction energies are significantly smaller even in the case of tellurium. The computed natural charges of the chalcogen atoms indicate that electrostatic effects strengthen the attractive interactions in the case of all chalcogen atoms.
L'Independance Du Commissaire Aux Comptes : Une Analyse Empirique Basee Sur Des Composantes Psychologiques Du Comportement

Trois composantes psychologiques du comportement des auditeurs confrontes a des situations susceptibles de remettre en cause leur independance ont ete etudiees. Les auditeurs qui ont le niveau d'independance le plus eleve ont un niveau de developpement moral cognitif conventionnel et un niveau de croyance dans un monde juste median.
Thermally Enhancing the Surface Areas of Yamamoto-Derived Porous Organic Polymers

Thermal treatment of highly stable porous organic polymers based upon the Yamamoto polymerization of 2,2′,7,7′-tetrabromo-9,9′-spirobifluorene was done. The polymers are shown to be thermally and chemically stable. Upon thermal treatment the polymers are shown to have BET surface areas of ca. 2,000 m2/g and 2,500 m2/g respectively.
Review on; Nature and Mechanism of Sensing and Responding to Excess Light by Higher Plants

Plants are the basis for the survival of living things in nature. They can prepare their own food through photosynthesis. Hence, they are the bottom of food chain. Sun light helps to maintain the planet’s surface temperature through photosynthesis, it is the process that plants use to change carbon dioxide (CO2), and water (H2O) through light energy using Rubisco enzyme into sugars which help to maintain plant growth, development through continuous supply of energy (ATP) on the leaf chlorophyll. On the other hand, sunlight also provides critical information about the environment information for proper plant development and the measurement of daylength that is used by plants to regulate movement. Plants absorb too much light more than they can actually use in photosynthesis. To control photo-inhibition/ photo-oxidative injury and adapt to their environmental conditions, all plants have developed different mechanisms to scenes and respond too much light stimuli directly and indirectly. Phytochromes, phototropin, neochrome, and cryptochrome dependent signals for chloroplast movement and gene expression responses are considered as direct sensing and responding mechanism through photoreceptors. Additionally, plants can sense excess light through biochemical and metabolic signals indirectly.
Extracting Uranium from Seawater: Promising AF Series Adsorbents

A new family of high-surface-area polyethylene fiber adsorbents named the AF series was recently developed at the Oak Ridge National Laboratory (ORNL). The AF series adsorbents were synthesized by radiation-induced graft polymerization of acrylonitrile and itaconic acid (at different monomer/comonomer mol ratios) onto high surface area polyethylene fibers. The degree of grafting (%DOG) of AF series adsorbents was found to be 154–354%. The grafted nitrile groups were converted to amidoxime groups by treating with hydroxylamine. The amidoximated adsorbents were then conditioned with 0.44 M KOH at 80 °C followed by screening at ORNL with sodium-based synthetic aqueous solution, spiked with 8 ppm uranium. The uranium adsorption capacity in simulated seawater screening ranged from 170 to 200 g-U/kg-ads irrespective of %DOG. A monomer/comonomer molar ratio in the range of 7.57–10.14 seemed to be optimum for highest uranium loading capacity. Subsequently, the adsorbents were also tested with natural seawater at .
Method for Increasing the Humidity in Polymer Electrolyte Membrane Fuel Cell

The water content within the polymer electrolyte membrane is essential to have good proton conduction and high efficiency of a fuel cell system. In this paper a new technique to increase the fuel cell efficiency acting on the internal humidity will be presented. In order to understand the potentialities and the limitations of such technique, the method was studied in a theoretical approach and then applied on a proton exchange membrane fuel cell (1 kW PEMFC) that supplies the energy for the traction of a prototype vehicle, which took part in the last Shell Eco‐marathon competition. Finally has been verified that the membrane water content is related to the hydrogen consumption and for some applications (e.g., military single‐use equipment), the “filling” method could be advantageous over humidified system and non‐humidified systems. To ensure the proper success of the procedure it is also applied the differential method to fault detection.
7Li and 31P Magic Angle Spinning Nuclear Magnetic Resonance of LiFePO4-type materials

LiFePO 4 and LiMnPO 4 have been characterized using 7 Li and 3 1 P magic angle spinning (MAS) nuclear magnetic resonance spectroscopy. LiFePO 4 was synthesized by a hydrothermal route and LiMnPO 4 was synthesized at high temperature in an inert atmosphere. Both compositions give rise to single isotropic 7 Li resonances. The MAS isotropic peak linewidth for LiFePO 4 is considerably larger than that for LiMnPO 4 , suggesting the presence of local disorder in the Li coordination sphere for LiFePO 4 . In both samples, the isotropic peak is accompanied by a large, asymmetric spinning sideband manifold, arising from bulk magnetic susceptibility broadening and the paramagnetic interaction between the lithium nucleus and transition metal unpaired electrons.
Electronic and Structural Properties of BC3 Nanotubes with Defects

Defects, which naturally occur in nanostructures such as nanotubes, have a profound effect on their structure and electronic properties, and it is important to include them in the computational studies involving these nanotubes. In this Article, density functional theory calculations are utilized to investigate the impact of topological Stone-Wales (SW) and vacancy defects on the structural and electronic properties of a zigzag BC3 nanotube. It is demonstrated that the most stable state for a SW defect is the structure in which an axial C–C bond is rotated by 90°. For vacancies at carbon sites, two possible configurations are obtained that are both nonmagnetic, whereas vacancy at a boron site induces magnetization in the structure of nanotube. The reconstruction of the boron vacancy can produce different kinds of defect states in the band gap of a semiconducting BC3 nanotube, which are studied using band structure and density of states diagrams.
Defining the Free Energy Landscape for Protein Induced Cell Membrane Curvature

Using methods from computational statistical mechanics, this thesis aims to elucidate the free energy landscape for protein mediated curvature induction in cell membranes. In particular, a mesoscale model of the cell membrane is utilized in this thesis to probe the thermodynamics of several membrane morphological dependent phenomena including membrane tubulation, the formation of endocytic buds, and protein recruitment on cell protrusions. This model allows for the quantification of membrane proteins curvature sensing behavior due to thermal fluctuations, and is able to predict morphologies which form due to membrane proteins cooperative effects. Analysis of the free energy landscape for generation of tubular membrane structures finds correspondence with the thermodynamics of micelle formation in amphiphilic systems. Furthermore, this research is able to quantify differential protein recruitment on protrusive membrane morphologies and inform cell network models of the interplay between membrane tension and curvature inducing protein signaling. Degree Type Dissertation Degree Name Doctor of Philosophy (PhD) Graduate Group Chemical and Biomolecular Engineering First Advisor Ravi Radhakrishnan
Bridging the g-C3N4 Interlayers for Enhanced Photocatalysis

Graphitic carbon nitride (g-C3N4) has been widely investigated and applied in photocatalysis and catalysis, but its performance is still unsatisfactory. Here, we demonstrated that K-doped g-C3N4 with a unique electronic structure possessed highly enhanced visible-light photocatalytic performance for NO removal, which was superior to Na-doped g-C3N4. DFT calculations revealed that K or Na doping can narrow the bandgap of g-C3N4. K atoms, intercalated into the g-C3N4 interlayer via bridging the layers, could decrease the electronic localization and extend the π conjugated system, whereas Na atoms tended to be doped into the CN planes and increased the in-planar electron density. On the basis of theoretical calculation results, we synthesized K-doped g-C3N4 and Na-doped g-C3N4 by a facile thermal polymerization method. Consistent with the theoretical prediction, it was found that K was intercalated into the space between the g-C3N4 layers. The K-intercalated g-C3N4 sample showed increased visible-light absor.
Atmospheric doping effects in epitaxial graphene: correlation of local and global electrical studies

We directly correlate the local (20 nm scale) and global electronic properties of a device containing mono-, bi- and tri-layer epitaxial graphene (EG) domains on 6H–SiC(0001) by simultaneously performing local surface potential measurements using Kelvin probe force microscopy and global transport measurements. Using well-controlled environmental conditions we investigate the doping effects of N2, O2, water vapour and NO2 at concentrations representative of the ambient air. We show that presence of O2, water vapour and NO2 leads to p-doping of all EG domains. However, the thicker layers of EG are significantly less affected. Furthermore, we demonstrate that the general consensus of O2 and water vapour present in ambient air providing majority of the p-doping to graphene is a common misconception. We experimentally show that even the combined effect of O2, water vapour, and NO2 at concentrations higher than typically present in the atmosphere does not fully replicate p-doping from ambient air. Thus, for EG gas sensors it is essential to consider naturally occurring environmental effects and properly separate them from those coming from targeted species.