Miracle-dz/UniFAR-FTUs huggingface dataset:
Comparison of Single and Two-Stage Ballasted Flocculation Processes for Enhanced Removal of Arsenic from Mine Water

AbstractSingle-stage and two-stage treatment processes using ferric sulphate (Fe2(SO4)3) coagulation, lime precipitation, ballasted flocculation, and sedimentation were compared for the removal of high concentrations (i.e., 60 mg/L) of arsenic in a synthetic mine water (SMW). Single-stage treatment was found to reduce arsenic to 0.39±0.04 mg/L in As(V) SMW and 0.78±0.07 mg/L in As(III) SMW using either preoxidation with KMnO4 or higher pH and coagulant dose compared to As(V) (i.e., 9.0 to 9.5 versus 5.5 to 6.0 and 151 versus 76 mg Fe/L), above a proposed national discharge guideline of 0.10 mg As/L. The two-stage treatment process was able to reduce total arsenic concentrations to 0.004±0.002 mg/L for As(V) SMW using coagulation and ballasted flocculation alone in Stage 2, 0.010±0.008 mg/L for As(III) with oxidation upstream of the second coagulation stage, and 0.037±0.006 mg/L for As(III) with pH adjustment downstream of it. The two-stage process was shown to achieve optimum performance at colder.
Tailored design of boron‐doped diamond electrodes for various electrochemical applications with boron‐doping level and sp2‐bonded carbon impurities

The effects of sp2‐bonded carbon impurities on the electrochemical properties of boron‐doped diamond were investigated in moderately ([B] < 1020 cm−3) and heavily ([B] > 1021 cm−3) boron doping levels. Significant influences of sp2‐bonded carbon impurities, which show glassy carbon‐like electrochemical properties after anodic oxidation, were observed in heavily boron‐doped diamond. This indicated that the significant effects of enhanced adsorption properties were possibly caused by surface relaxation of the strains induced by heavy boron doping and sp2‐bonded carbon impurities. On the other hand, their durability was still similar to diamond electrodes rather than glassy‐carbon electrodes because of the low fraction of sp2‐bonded carbon impurities. Such “active” diamond electrodes are much less suitable for wastewater treatment than ordinary diamond electrodes due to a different oxygen‐evolution mechanism. On the other hand, “active” BDD electrodes have a much higher efficiency for electrochemical ozone production than other BDD electrodes. The electrode properties of BDD can be designed by controlling the boron doping level and introducing the sp2‐bonded carbon impurities. The guidelines proposed in this study can be used effectively to design electrodes according to their individual application, such as for use as electrochemical sensors, in wastewater treatment or electrochemical ozone production.
Impact of Early Leaf Removal on Yield and Fruit and Wine Composition of Vitis vinifera L. Graciano and Carignan

Early defoliation is a novel cultural practice for crop management in grapevines. The effects of timing (prebloom or fruit set) and method (manual or mechanical) of early defoliation on yield and grape and wine composition of Vitis vinifera L. cv. Graciano and Carignan grapevines were investigated. Leaf removal induced a substantial increase in both cluster exposure and canopy porosity. Yield was significantly reduced by defoliation in both varieties. Yield per shoot was reduced between 30 and 70% by manual and mechanical leaf removal prebloom. In both varieties, postflowering leaf removal was ineffective at modifying fruit set, number of berries per cluster, or yield per shoot. Botrytis incidence was also reduced by leaf removal. Prebloom defoliation allowed full recovery of the leaf:fruit ratios to that seen in nondefoliated vines. Grape soluble solids and wine alcohol concentration were not affected by defoliation. Malic acid decreased with leaf removal at fruit set. Genotype-environment interactions on berry acidity variables such as titratable acidity and tartaric acid concentrations were found. Early leaf removal substantially increased anthocyanin and phenol concentration in grapes and wine of both varieties. In Carignan, early leaf removal resulted in heavier berries, which nevertheless had enhanced grape and wine color. These results support the hypothesis that in early-defoliated vines, the relative growth of various berry organs is affected independently from absolute berry mass. Mechanical early defoliation has the potential to be a cost-effective technique to control yield and to improve grape and wine composition.
Concomitant conformational dimorphism in 1,2-bis(9-anthryl)acetylene

Previous literature reports have shown that single crystals of 1,2-bis(9-anthryl)acetylene (1), in which the molecule is essentially planar, can be fabricated as organic field effect transistors. We have identified a new conformational polymorph of 1 in which the two anthracene moieties are twisted out of plane by more than 60°. Occasionally, both the planar (1α) and twisted (1β) polymorphic forms crystallize out together representing a rare example of concomitant conformational polymorphism in a pure hydrocarbon. The two polymorphic forms also show distinctly different colours and morphologies – the planar form (1α) grows as long orange-red needles whereas the twisted form (1β) appears as yellow blocks. Furthermore, a variety of electronic structure-based calculations show that the planar molecule forms the more stable polymorph (1α), despite the conformation being close to the maximum in conformational energy. This may be attributed to 1α being stabilized by greater intermolecular dispersion forces as the planar conformation allows a denser packing. The new polymorph (1β) is a long-lived metastable structure, because of the marked difference in crystal packing. Since the conformation in 1β is more stable in isolation, and probably in solution state, this discovery raises questions about the control of crystallization of anthracene-based functional materials and the assumptions about conformational polymoprhism commonly made in crystal structure prediction studies.
Friction and Pull-Off Forces on Submicron-Size Asperities Measured in High-Vacuum and in both Dry and Humid Nitrogen at Atmospheric Pressure

Asperities having spherical peaks were fabricated on a silicon substrate using a focused ion beam. Pull-off and friction forces were measured on each asperity using atomic force microscopy (AFM) in a high vacuum (HV) of 2×10-5 Pa and in both dry and humid nitrogen at atmospheric pressure. The radius of curvature of the asperity peaks ranged from 70 to 610 nm. The probe of the AFM cantilever had a flat square tip, approximately 1×1 µm2 in area. The results showed that the pull-off force was roughly proportional to the radius of curvature of the asperity peaks in each atmosphere. The friction force was proportional to the pull-off force. The gradient of the friction force against the pull-off force was slightly higher in the humid nitrogen than in the HV, which suggests the viscous resistance of the capillary is part of the friction force. The friction force in HV increased with lower sliding velocities without heating the substrate, which suggests the capillary also has a lubricating effect that prevents direct solid contact.
Behaviors of liposomes in a thermo-responsive poly(N-isopropylacrylamide) hydrogel

Liposome-embedded hydrogels have been widely used for controlled drug release. In this work, by embedding egg phosphatidylcholine (EPC) liposome into a poly(N-isopropylacrylamide) (PNIPAm) hydrogel via chemical cross-linking, we systemically studied the physical interactions between the liposome and hydrogel matrix, as well as the release mechanism of the encapsulated content in the liposome at varying temperatures. It was found that the confinement of the network and the hydrophobic interactions between the liposome and PNIPAm determined the integrity of the liposome and, more importantly, the release profile of the encapsulated content, such as calcein. This liposome-embedded stimuli-responsive system is suitable for the delivery of mixed drugs with different release profiles, and easily achieves on-demand release.
Adsorption of Heavy Metal Ions on Pomegranate (Punica Granatum) Peel: Removal and Recovery of Cr(VI) Ions from a Multi-metal Ion System

The fruit peel of pomegranate (Punica granatum) exhibits a high affinity for Cu(II), Ni(II), Cd(II) and Zn(II) ions. The maximum adsorption observed was that of Cu(II) ions, followed by Zn(II), Cd(II), Ni(II) and Cr(VI) ions. The adsorption of Cu(II) ions was dependent on the initial Cu(II) ion concentration, pH, adsorbent dose, temperature and contact time. The adsorption isotherms could be described by the Langmuir and Freundlich equations. Application of the χ2-test indicated that both these models were best obeyed at 20 °C. Thermodynamic parameters such as ΔH0, ΔS0 and ΔG0 were evaluated, the adsorption process being endothermic and spontaneous in nature. The value of the mean free energy indicated that the adsorption process was chemical in nature. Kinetic data showed that the pseudo-second-order model provided the best fit for the experimental data. Attempts were made using batch and column methods to desorb Cu(II), Ni(II), Zn(II), Cd(II) and Cr(VI) ions from synthetic wastewater as well as from wastewater derived from electroplating activities. The breakthrough capacities of Cu(II), Ni(II), Zn(II), Cd(II) and Cr(VI) ions were 6, 2, 2, 2 and 0 mg/g, respectively, when a mixture of these metal ions was treated. The adsorbent was utilized to recover Cr(VI) ions from electroplating wastewater.
Associations between socioeconomic deprivation and pharmaceutical prescribing in primary care in England

Background Socioeconomic deprivation is associated with health inequality. Previous studies have described associations between primary care prescribing rates and deprivation for individual drugs or drug classes. We explore the correlation between socioeconomic deprivation and the rate of prescribing of individual pharmaceutical drugs, and drug classes, in primary care in England, to identify prescribing inequalities that would require further investigation. Methods In this cross-sectional study, national primary care prescribing data, by primary care practice, were retrieved for the calendar year 2019 in England. Socioeconomic deprivation was quantified using the Index of Multiple Deprivation (IMD) score. Correlations were calculated using Spearman’s rank correlation coefficient (ρ), adjusting for practice list size and demographics, with a Bonferroni-corrected p value threshold of 5×10–5. Results We included 1.05 billion prescription items dispensed from 6896 England practices. 142/206 (69%) drug classes and 505/774 (65%) drugs were significantly correlated with IMD score (p<5×10−5). Of the 774 included drugs, 31 (4%) were moderately positively associated with IMD score (ρ>0.4). Only one was moderately negatively correlated with IMD score (ρ<−0.4), suggesting higher prescribing rates in more affluent areas. The drug classes most strongly associated with IMD score included opioid and non-opioid analgesics, antipsychotics and reflux medications. Drug classes most strongly associated with affluence included epinephrine, combined oral contraceptives and hormone replacement therapy. Conclusion We identify novel associations of prescribing with deprivation. Further work is required to identify the underlying reasons for these associations so that appropriate interventions can be formulated to address drivers of inequality.
Vibrational spectroscopy and DFT calculations of amino acid derivatives: N-acetyl-L-Asp and N-acetyl-L-Glu in the solid state

Experimental vibrational spectroscopic studies and density functional theory (DFT) calculations of the amino acid derivatives N-acetyl-L-Asp and N-acetyl-L-Glu have been undertaken. Raman and IR spectra have been measured in the solid state for both molecules. DFT simulations were conducted using the B3-LYP correlation functional and the cc-pVDZ basis set in order to determine their energy minimized/geometry optimized structures (based on a single isolated molecule in the gaseous state), and vibrational spectra were computed at the optimized geometry in each case. Normal coordinate calculations have provided vibrational assignments for fundamental modes, including their potential energy distributions. Significant differences are observed in the computed structures and in the vibrational spectra of N-acetyl-L-Asp and N-acetyl-L-Glu. The combination of experimental and calculated results provides an insight into the structural and vibrational spectroscopic properties of N-acetylated amino acid derivatives.
A theoretical analysis of carbon isotope evolution of decomposing plant litters and soil organic matter

Systematic variations in the carbon isotopes of soil organic matter (SOM) have been observed in a variety of ecosystems. Such variations may provide important insights into physical and biological processes that mediate carbon storage, nutrient availability, and trace gas emissions. To study carbon cycles using carbon isotopes, it is important to link carbon isotope systematics with carbon dynamics models, so that carbon isotope variations can be interpreted in the context of rates and fluxes of carbon transport in ecosystems. This paper presents a theoretical analysis, in which carbon isotopic evolution of decaying organic matter is modeled for a system in which the rate of litter or soil organic matter decomposition is controlled by substrate quality and microbial growth rate. The model examines two mechanisms controlling the isotopic evolution of carbon in a system with a one‐time input: kinetic isotopic fractionation by soil microbes and differential decomposition. The model produces several important characteristics of a SOM decomposing system: (1) for a system with a single population of organic matter, the carbon‐13/carbon‐12 ratio in SOM increases with increasing carbon loss as a result of kinetic isotope fractionation of respiration; (2) for a given isotopic fractionation factor, the isotopic enrichment relative to the original organic material increases with the decomposition rate; and (3) for a system containing multiple organic matter components having different qualities and isotopic compositions (e.g., cellulose and lignin), the temporal evolution of the SOM isotope ratio reflects the competing dominance of isotopic fractionation and preferential reservation of one or more organic components.
Diffusion coefficients of interacting Brownian particles

Starting from a N‐particle diffusion equation, the effective particle (self‐) and concentration diffusion coefficients of interacting Brownian particles are studied theoretically. These two diffusion coefficients defined by distinct ways are different for interacting systems. By taking into account both potential and hydrodynamic interactions, the expression for the frequency‐dependent particle diffusion coefficient exact to linear order in number density is derived. Detailed calculations of both diffusion coefficients are performed for model systems of hard spheres with a repulsive or an attractive long‐range potential. The effects of potential and hydrodynamic interactions on these two diffusion coefficients are clarified. The velocity autocorrelation function is also calculated and non‐Markovian behaviors are discussed.
The synthesis of N-heterocycles using ortho-metallated primary benzylamine complexes of palladium(II) and platinum(II)

The synthesis of the isoindolinimines (5) by the insertion of isocyanides into the metal–carbon bond of the ortho-palladated primary benzylamine complex (1a) is described; the novel oxidative addition and susbsequent reductive elimination of the ortho-metallated primary benzylamine–platinum complex (6) yields 3-oxo-1,2,3,4-tetrahydroisoquinoline (8).
Fluctuations in streams of thermal radiation

An ultimate limit to the sensitivity of a detector of thermal radiation is set by the inherent fluctuations in the stream of radiation. This paper presents the relevant quantitative relations to enable these fluctuations to be calculated in practical cases. The result is presented as the minimum detectable periodic modulation of the power of a stream for general conditions under which the detector may receive streams of radiation from surroundings at different temperatures and thermal equilibrium is not necessarily established. The modification necessary when the spectral frequency-distributioin differs from that of full black-body radiation is also presented. Limiting factors other than radiation fluctuations are not discussed.
Treatment of poultry slaughterhouse wastewater using a membrane process, water reuse, and economic analysis

AbstractPoultry slaughterhouse wastewater, which represents one of the most important pollutants in Turkey, is generally treated with conventional biological processes in Turkey and around the world. In this study, poultry slaughterhouse wastewater was treated using laboratory-scale membrane processes, which were substituted for conventional processes. The performances of the membrane processes were investigated in terms of chemical oxygen demand (COD), conductivity, and membrane fluxes. Economic analyses were conducted for several membrane system alternatives. In addition, the alternatives were compared with each other and with conventional economic analysis of the data obtained in this study and data from several previous studies. The membranes used for the membrane processes were AG for reverse osmosis (RO), DK for nanofiltration (NF), and ER for ultrafiltration (UF). The highest COD removal efficiencies were 90% for NF and 97.4% for RO, and the conductivities decreased by 51.7% for NF and 96.6% for RO.
Enhancement of 5D0-7FJ Emissions of Eu3+ Ions in the Vicinity of Polymer-Protected Au Nanoparticles in Sol−Gel-Derived B2O3−SiO2 Glass

The paper reports the enhanced photoluminescence of trivalent europium (Eu3+) ions in the vicinity of nanometer-sized metal particles in glasses. In this study, gold (Au) colloids synthesized in solution were introduced into a borosilicate (B2O3−SiO2) glass matrix together with Eu3+ ions via a sol−gel route. To control in size and protect Au colloids two types of polymerspoly(vinylpyrrolidone) (PVP) and polyacryronitorile (PAN)were used. As a result, PVP provided excellent homogeneity of Au nanoparticles in the hybrid gel. A novel finding on its photoluminescence properties is that a heat treatment of the gel at 400 °C led to a great enhancement of Eu3+ fluorescence under a long ultraviolet excitation, six times higher than without Au nanoparticles, accompanied with a broad fluorescence around 400 nm due to carbonyl moieties of PVP. On the contrary, when the carbonyl groups were removed by heat treatment at temperatures higher than 400 °C, a conspicuous decrease in the relative intensity of Eu3+ fluoresce.
A water-dielectric capacitor using hydrated graphene oxide film

Despite the widespread use of paper, plastic or ceramics in dielectric capacitors, water has not been commonly used as a dielectric due to its tendency to become conductive as it easily leaches ions from the environment. We show here that when water is confined between graphene oxide sheets, it can retain its insulating nature and behave as a dielectric. A hydrated graphene oxide film was used as a dielectric spacer to construct a prototype water-dielectric capacitor. The capacitance depends on the water content of the hydrated GO film as well as the voltage applied to the device. Our results show that the capacitance per unit area of the GO film is in the range of 100–800 μF cm−2, which is 5–40 times that of the double layer capacitance per surface area of activated carbon.
Production and properties of a semi-hard cheese made from soya milk

Summary A semi-hard soya cheese, with mean moisture content 61.5%, crude protein 21.8% and fat 2.6%, was produced from reconstituted soya-milk powder using a starter culture of Streptococcus thermophilus and Lactobacillus fermentum. The physical properties of the cheese, as determined with a Texture Profile Analyser, were similar to a cheese made to the same compositional standards from bovine milk. A taste panel of Far Eastern subjects did not find the flavour of the fresh soya cheese acceptable but, when cubes of the cheese (1 cm3) were deep-fried in corn oil, the hedonic rating improved significantly. It is suggested that the cheese could be used as a protein-rich component of a meal, e.g. to replace meat in a stew, or as a ‘snack food’.
Size Dependence of Gas Sensitivity of ZnO Nanorods

We report the structure, optical, and gas-sensing properties of ZnO nanorods with different diameters. Vertically well-aligned homogeneous nanorods were grown along the c-axis orientation. The shift of Raman scattering E2 (high) mode and photoluminescence (PL) spectra were used to study the dependences of nanorod diameters on the stress and oxygen vacancy. Gas sensors were prepared and tested for the detection of C2H5OH and H2S (100 ppm) in air. It was found that the thin nanorods have a significantly better sensing performance than the thick nanorods. We provide a possible explanation from the aspect of the sensing mechanism of the surface reaction process.
Psoriasis and cardiovascular diseases: Current developments in medical research

Patients with psoriasis are prone to develop cardiovascular disease, being one of the main causes of mortality. Risk factors for patients with psoriasis for cardiovascular disease are very common either on their own or in combination. Among these risk factors we can mention: diabetes, obesity, hypertension, dyslipidemia, metabolic syndrome, smoking. The presence of arthritis along with psoriasis is a negative prognosis in terms of cardiovascular disease. Sleep disturbances, depression and anxiety disorders also contribute to the increase in the frequency of cardiovascular disease in patients with psoriasis.
Functionalized triindoles as a new class of p-type organic semiconductors

Much effort is being dedicated to develop small organic molecules for their use in organic electronic devices, for which a key parameter is the mobility of charge within the active organic layers. Important advances achieved in this field have been therefore connected to the enhancement of the charge carrier mobility of organic semiconductors. In this communication we present a new family of stable high-mobility organic p-type semiconductors based on the electronrich 10,15-dihydro-5H-diindolo[3,2-a:3',2'-c]carbazole (triindole) platform. We show how it is possible to tune their electronic properties as well as their supramolecular organization through chemical functionalization.