Miracle-dz/UniFAR-FTUs huggingface dataset:
Particle scavenging by water drops in an ultrasonic standing wave field

Currently the backbone of the world’s energy supply is composed of fossil fuels. However, the combustion of fossil fuels results in the production of enormous quantities of particulate pollutants. The smog resulting from these particulate pollutants causes significant health problem for city dwellers. Wet scrubbers, which use a water spray to scavenge airborne particles, is one of the most widely used devices to control particulate pollutants. Typical wet scrubbers can scavenge particles with diameters bigger than 10 μm, but it is inefficient in scavenging particles with diameters on the order of 1 μm. Unfortunately these fine particles are more dangerous than the coarse particles since fine particles can penetrate deep into human lungs. This dissertation is an investigation into the use of ultrasonics to enhance the ability of wet scrubbers to scavenge fine particles. The first part of the investigation involves testing a combination of water spray and ultrasonics on the scavenging of fine particles in a small scale scrubber. A stream of air laden with particles was flowed into the scrubber with a water spray. Experiments were conducted with and without the presence of an ultrasonic standing wave field inside the scrubber over a range of parameters: water flow rate, air flow rate, particle size and spray drop size. Compared to the water spray alone, significant increases in the scavenging of particles were observed when the water spray was combined with the standing wave field in these experiments. The second part of the investigation involves a determination of the mechanism that causes the increase in particle scavenging of a water spray in the presence of an ultrasonic standing wave field. A review of existing theories showed that the acoustic radiation force generated by an ultrasonic standing wave field can influence the motion of the aerosols in the standing wave field. These theories predict that the spray drops used in these experiments would migrate toward the pressure nodes of the standing wave field. However, for the micron-scaled particles investigated here, some theories predict that the particles would migrate toward the pressure nodes, while other theories predict that ii they would migrate toward the pressure anti-nodes. Experiments were conducted where particles having a range of diameters were flowed into the region of a standing wave field and their locations in the standing wave field were recorded. Results obtained from these experiments show that the particles with diameters larger than 0.3±0.1 μm would migrate toward the pressure nodes while the particles with diameters smaller than 0.3±0.1 μm would migrate toward the pressure anti-nodes. A theory of the acoustic radiation force that agrees with these results was selected to build a model. This model was used to simulate the trajectories of the spray drops and the particles in the scrubber. Results obtained from the simulations show that the increased scavenging is caused by an increase in particles combining with spray drops in the pressure nodes of the standing wave field.
Error in the Debye–Hückel approximation for dilute primitive model electrolytes with Bjerrum parameters of 2 and ca. 6.8 investigated by Monte Carlo methods. Excess energy, Helmholtz free energy, heat capacity and Widom activity coefficients corrected for neutralising background

Monte Carlo (MC) simulations have been performed for primitive model electrolytes with a Bjerrum parameter B= 2 for five values of κa in the region ca. 0.022–0.11. Also, an extremely dilute 2 : 2 electrolyte (B= 6.8116 and κa ca. 0.0276) has been investigated. Between five and eight million configurations have been used in each simulation, and the number of ions in each simulation (N) was varied between 32 and 1728. The universal scaling of the results using the ratio of the Debye length to the half period of the periodic boundary conditions (minimum image cut-off distance), which was found for dilute systems with B= 1, 1.546 and 1.681 in an earlier paper, is found to hold also for the present simulations. In this way, precise extrapolations of excess energies (Eex/NkT), excess electrostatic Helmholtz free energies and excess heat capacities can be found.By means of an analytic correction to the Widom test particle method for simulation of activity coefficients most of the variation, with the number of ions (N), of the excess chemical potentials may be removed. The trick is to introduce a homogeneous neutralising background. The N-dependence left scales exactly like Eex/NkT, so that precise extrapolated values for the excess chemical potentials can be found.The deviations from the Debye–Huckel values increase with increasing B(at fixed κa). With B= 2, all the thermodynamic quantities except the excess heat capacity are situated between the Debye–Huckel law and the Debye–Huckel limiting law. With B= 6.8116 and κa≈ 0.0276, however, all quantities are on the ‘wrong’ side of the limiting law, and deviations from the Debye–Huckel values are very large, e.g. ca. 40% for Eex/NkT and 400–500% for the excess heat capacity. These deviations are well accounted for by the DHX theory, using the Debye–Huckel electric potential around a central ion as potential of mean force.
FORMATION OF SULFATE CONJUGATES METABOLITES IN THE DEGRADATION OF PHENANTHRENE, ANTHRACENE, PYRENE AND BENZO[A]PYRENE BY THE ASCOMYCETE ASPERGILLUS TERREUS

Abstract The metabolism of four PAHs (phenanthrene, anthracene, pyrene and benzo(a)pyrene) by an Aspergillus terreus strain, isolated from a polluted soil, was investigated in liquid submerged culture. The main metabolites identified by the HPLC-MS technique, after solvent extraction of the fermentation broth and mycelium, were aryl-sulfates and hydroxyl-aryl-sulfates. A metabolic pathway was identified involving in sequence: the hydroxylation by a monooxygenase of the PAHs, the conjugation with a sulfate ion, followed by a further hydroxylation to hydroxyl-aryl-sulfates compounds. PAHs degradation by A. terreus yielded a different number of metabolite isomers depending on the type of the parent PAH. The environmental fate and ecotoxicity of the metabolite 9-phenanthrenesulfate was also investigated by a respirometric test of ready biodegradability and by a Vibrio fischeri acute toxicity test respectively. This compound was easily degradable by microbial consortia derived from polluted soil and capable of thriving on phenanthrene as its sole carbon source. Moreover the sulfate conjugate resulted in 2 orders of magnitude less toxic than its precursors phenanthrene.
Structure of (pyrazole‐κN2)[(S)‐N‐salicylidene‐κO‐alaninato(2–)‐κN,κO]copper(II)–pyrazole (1/1)

Reaction of the parent aqua[(S)-N-salicylidene-alaninato]copper(II) dihydrate with an excess of pyrazole gives the title compound in which only one of the two pyrazole molecules is coordinated to Cu II (the other is doubly hydrogen bonded to the complex molecule). The Cu II coordination can be described as square pyramidal (4+1), the basal plane being formed by the heteroatoms of the tridentate Schiff base ligand and the N atom of the pyrazole molecule. A neighbouring chelate provides a semicoordinating O(3) atom in the axial direction [Cu.O(3)=2.595 (3) A], thus forming polymeric chains along the a axis in the crystal
The Most Beautiful Theories

Two centuries of scholarly practices have transformed the way research is done. The modern research group, as a relatively recent advance, provides faculty advisors and students with a mutually beneficial relationship, namely, taking on large and complex scientific problems in exchange for scholarly professional development. An argument for understanding the scholarship of teaching and learning is made by defining, and then broadening, a basis set of four characteristics of scholarship in research.
Paper Sludge Utilization in Agriculture and Container Nursery Culture

During the last 10 yr, research was established in the Niagara region of Ontario to assess the use of paper sludge on agricultural land. Compositionally, tbe sludges are relatively free of chemical contaminants. These sludges are used primarily as an organic amendment rather than as fertilizers, because of low mineral nutrient contents. Greenhouse, nursery container media, and field experiments showed increased growth and yield of various horticultural and agricultural crops, thus demonstrating the beneficial effects of paper sludges as organic amendments to potting media and field soils. Small to moderate deficiencies in N in certain sludges are readily compensated by adding fertilizer to soil or sludge. From field plot studies, increases in growth and yield for selected crops have been realized with a recommended sludge application rate of 12 dry Mg ha -1 provided sufficient N fertilizer is applied.
Temperature and Concentration Dependence of Heat Capacity of Model Aqueous Solutions

Abstract Heat capacities of binary aqueous solutions of different concentrations of sucrose, glucose, fructose, citric acid, malic acid, and inorganic salts were measured with a differential scanning calorimeter in the temperature range from 5°C to 65°C. Heat capacity increased with increasing water content and increasing temperature. At low concentrations, heat capacity approached that of pure water, with a less pronounced effect of temperature, and similar abnormal behavior of pure water with a minimum around 30°C–40°C. Literature data, when available agreed relatively well with experimental values. A correction factor, based on the assumption of chemical equilibrium between liquid and gas phase in the Differential Scanning Calorimeter, was proposed to correct for the water evaporation due to temperature rise. Experimental data were fitted to predictive models. Excess molar heat capacity was calculated using the Redlich–Kister equation to represent the deviation from the additive ideal model.
Synthesis and pharmacological evaluation of 3‐(4‐chloro phenyl)‐2‐substituted‐3H‐quinazolin‐4‐ones as analgesic and anti‐inflammatory agents

A new series of 3‐(4‐chloro phenyl)‐2‐substituted‐3H‐quinazolin‐4‐ones were synthesized by reacting the amino group of 2‐hydrazino‐3‐(4‐chloro phenyl)‐3H‐quinazolin‐4‐one with different aldehydes and ketones. The compounds were investigated for their analgesic activity in albino mice, and for their anti‐inflammatory and ulcerogenic activities in Wistar rats. All test compounds exhibited analgesic and anti‐inflammatory activities. Compound VA2 (2‐(1‐ethylpropylidene‐hydrazino)‐3‐(4‐chloro phenyl)‐3H‐quinazolin‐4‐one) showed moderately more potent analgesic activity and compound VA3 (2‐(1‐methylbutylidene‐hydrazino)‐3‐(4‐chlorophenyl)‐3H‐quinazolin‐4‐one) showed moderately more potent anti‐inflammatory activity when compared with the reference standard, diclofenac sodium. The test compounds showed only mild ulcerogenic side effects when compared with aspirin. Drug Dev Res 69: 226–233, 2008 ©2008 Wiley‐Liss, Inc.
Characteristic Features of the C-Type Orbital-Ordered State in the Simple Perovskite Manganite Sr1-xNdxMnO3

In the highly-correlated electronic system Sr1-xNdxMnO3, the C-type orbital-ordered (COO) state is present for 0.15<x<0.38, and its crystal structure with the tetragonal-I4/mcm symmetry involves both the R25-type rotational displacement of MnO6 octahedra and the Jahn-Teller distortion as a response of a lattice system to orbital ordering. To understand the details of the competition between the rotational displacement and the Jahn-Teller distortion, the formation of the COO state from the disordered cubic (DC) state with the space group Pm3m has been investigated mainly by transmission electron microscopy. It was found that, when the temperature was lowered from the DC state for x = 0.20, for instance, COO regions with the tetragonal symmetry, exhibiting a {110}DC banded structure, were locally formed in the matrix below about 330 K. The subsequent aging at 300 K resulted in the growth of COO regions; that is, the time-relaxation phenomenon. Because of the presence of antiphase boundaries for the rotational displacement in the matrix, the crystal structure of the matrix should also have the tetragonal symmetry. In other words, it is understood that the coexistence state appearing just after cooling from the DC state consists of two tetragonal regions with different c/a values. The coexistence state is apparently characteristic of the competition between the rotational displacement and the Jahn-Teller distortion for the formation of the COO state.
Spinning Solid and Hollow Polymer‐Free Carbon Nanotube Fibers

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Thermal behaviour of alum-(K) KAl(SO4)2·12H2O from in situ laboratory high-temperature powder X-ray diffraction data: thermal expansion and modelling of the sulfate orientational disorder

Abstract The present work analyses the thermal behaviour of alum-(K), KAl(SO4)2·12H2O, by in situ laboratory high-temperature powder X-ray diffraction data from 303 K to melting, which starts at 355 K and is completed, due to kinetics, at 359 K. The calculated a0 linear thermal expansion coefficient is of 14.68(11) × 10-6 K-1 within the investigated thermal range. The k disorder parameter, describing the extension of the orientational disorder of the sulfate group, has been found to decrease from ~0.70 to ~0.65 just before melting. It has been demonstrated that the occurrence of the disorder implies the coexistence of K+ ions in both six- and seven-fold coordination. This is necessary for assigning a reasonable bond-valence sum of 0.81 valence units (vu) to the ‘average’ K+ ion a instead of 0.66 vu, which is obtained in the case of six-fold coordination alone. We can describe the temperature dependence of k from 93-355 K by means of the empirical equation k = 0.798(12) + 2.5(11) × 10-4 T - 1.9(2) × 10-6 T2, which includes reference low-temperature data. Bond-valence analysis has shown that, on cooling, an increase of the k disorder parameter and shortening of the K-O2 bond distance act together to maintain constancy in the bond-valence sum at the K site, stabilizing the structure. Therefore, the need for keeping the ‘average’ K+ ion at a reasonable bond-valence sum appears to be the driving force for the ordering process involving the sulfate group.
Core Electron Binding Energy (CEBE) as Descriptors in Quantitative Structure - Activity Relationship (QSAR) Analysis of Cytotoxicities of a Series of Simple Phenols

Core Electron Binding Energies (CEBEs) of ring carbon atoms in 4-X-phenols were calculated using density-functional theory with the scheme DEKS (PW86-PW91)/TZP//HF/ 6-31G*. The phenols show toxicity to fast growing cells. Using CEBEs of four distin- guished carbon atoms in the phenyl ring and oxygen atom inOH of the phenols, the compounds were well separated and grouped by Principal Component Analysis (PCA). Using three out of the five CEBEs, together with s þ and log P of the phenols as descriptor, we established a QSAR model with Partial Least Squares (PLS) regression which resulted in Q 2 ¼ 0.914. CEBE values when used together with traditionally used descriptors such as log P and s þ turned out to be useful descriptors in modeling the activity (QSAR) of the compounds with PLS.
Fluorescence of C60 and Its Interaction with Pyridine

Well-resolved strong fluorescence peaks for C60 dissolved in pyridine in the range from 399 to 750 nm at room temperature are reported. These indicate that C60 has important optical properties and great potential as a new photosensitive and luminescent material. In a C60−pyridine solution, interaction between pyridine and C60, which is further proved by the electroreduction of C60 in pyridine as well as the surface-enhanced Raman scattering (SERS) spectrum of C60, distorts the icosahedral symmetry of C60. The relaxation of selection rules, due to the reduced symmetry of C60 molecule, induces the observed strong fluorescence peaks.
Preparation of encapsulated urea-kaolinite controlled release fertiliser and their effect on rice productivity

Abstract Urea-intercalated kaolinite containing 20 wt% urea was granulated and coated with water-based epoxy resin to prepare nitrogen-based controlled release fertiliser (NCRF). The nitrogen release property was studied using UV-Vis spectroscopy through the diacetylmonoxim colorimetric method for different samples of granules of urea-intercalated kaolinite and non-intercalated urea–kaolinite mixture. Also the effect of granules size and different coating thickness on nitrogen release from coated NCRFs was investigated. The results of release experiments revealed that intercalation of urea into kaolinite caused a three times decrease in the nitrogen release compared to non-intercalated sample. Also, by increasing the size of granules and thickness of coating, the nitrogen release ratio from NCRFs decreased. Finally, a glasshouse trial was conducted to evaluate the effect of coated urea-kaolinite compared with a non-coated one and conventional urea fertiliser granules on rice productivity (Variety MR 219). The yield together with some yield component data (filled spikelet, spikelet per panicle, productive tiller) revealed a highly significant and positive response to coated CRF N fertiliser treatment (one time application). Also, the pooled data of the yield and yield component emphasised that the rice crop responded significantly to treatments involving CRF nitrogen fertilisers as compared to others. The maximum grain yield of 28.73 g/pot belongs to coated CRF, medium grain yield of around 21.74 g/pot from the non-CRF N fertilisers plots and the lowest yield was obtained where conventional urea was applied. The other morphological and physiological characters show a similar trend to the yield.
EXAFS as a tool for catalyst characterization: a review of the data analysis methods

A review of the EXAFS data analysis methods is presented. A detailed description of the EXAFS signal extraction and the Fourier transform of the data are discussed. The procedure for determining interatomic distances, coordination numbers and disorder effects from EXAFS data is described. This paper also discusses the data analysis statistics. Finally, one example of catalyst characterization by the EXAFS technique is reported.
Optical mapping of a rice BAC clone using restriction endonuclease and imaging with fluorescent microscopy at single molecule level

A method of constructing restriction map by optical mapping and single molecule fluorescent microscopy is described. DNA molecules were aligned and adsorbed on a glass coverslip surface by a modified “molecular combing” technique, and then the surface-immobilized DNAs were cleaved in situ with a restriction endonuclease. Individual DNA molecules digested by the endonuclease EcoR I were observable with fluorescent microscopy. Using optical mapping, a physical map of a rice bacterial artificial chromosome clone was constructed. This method will facilitate genomic mapping and tracing the dynamic process in real time at a single molecule level with fluorescence microscopy.
Cellulose nanocrystals as a novel support for CuO nanoparticles catalysts: facile synthesis and their application to 4-nitrophenol reduction

Metal and metal oxide nanoparticles (NPs) have attracted considerable attention due to their excellent catalytic activities in various organic transformation reactions. However, their widespread application is limited because of their self-agglomeration in solution and the resulting reduced catalytic performance. Here we report that cellulose nanocrystals (CNs), which are sustainable and globally available in large quantities from plants, can be used as a novel support for copper oxide (CuO) NPs with enhanced catalytic performance. The high surface area of CNs and the abundant hydroxyl groups-induced immobilization of CuO NPs make the CNs-supported CuO NPs nanohybrids significantly stable, with CuO NPs/CNs suspensions remaining well-distributed even after a month. The obtained nanohybrids exhibited much higher catalytic activities than the unsupported and other materials-supported metal NPs (e.g. graphene oxide-supported CuO) in the catalyzed reduction of 4-nitrophenol. The facile processes used to make the nanohybrids catalysts are readily scalable to industrial levels.
RATIO DERIVATIVE SPECTROPHOTOMETRIC AND MICELLAR LIQUID CHROMATOGRAPHIC METHODS FOR THE SIMULTANEOUS DETERMINATION OF HYDROCHLOROTHIAZIDE AND PINDOLOL IN PHARMACEUTICAL PREPARATIONS

Two simple and accurate analytical methods were developed for the resolution and analysis of a binary mixture of hydrochlorothiazide (HCT) and pindolol (PIN), based on using a ratio derivative spectrophotometric technique and a micellar liquid chromatographic method. The first method depends on measuring the amplitudes of the first derivative of the ratio spectra at 337.2 nm for HCT and 294.4 nm for PIN. The calibration graphs were linear over the range of 5–40 µg/mL for HCT and 2–32 µg/mL for PIN. For the second method, good chromatographic separation was achieved using a 250 mm × 4.6 mm i.d. , 5 µm particle size Symmetry C18 column. Mobile phase containing 0.15 M sodium dodecyl sulfate, 0.3% triethylamine, and 18% methanol in 0.02 M orthophosphoric acid of pH 3.0 was pumped at a flow rate of 1 mL/min with UV detection at 254 nm. Indapamide (IND) was used as an internal standard (IS). The method showed good linearity over the concentration ranges of 2–30 µg/mL and 2–40 µg/mL with limits of detection of 0.54 and 0.49 µg/mL and limits of quantification of 1.82 and 1.64 µg/mL for HCT and PIN, respectively. The suggested methods were successfully applied for the simultaneous analysis of the studied drugs in their synthetic mixtures and coformulated tablets. The second method was also applied for the determination of the studied drugs in presence of some co-administered drugs such as atorvastatin, propranolol, enalapril, temocapril, nicardipine, xipamide, and chlothalidone without any interference.
Chemistry of the natural atmosphere

Bulk Composition, Structure, and Dynamics of the Atmosphere. Photochemical Processes and Elementary Reactions. Chemistry of the Stratosphere. Chemistry of the Troposphere: The Methane Oxidation Cycle. Ozone in the Troposphere. Hydrocarbons, Halocarbons, and Other Volatile Organic Compounds. The Atmospheric Aerosol. Chemistry of Clouds and Precipitation. Nitrogen Compounds in the Troposphere. Sulfur Compounds in the Atmosphere. Geochemistry of Carbon Dioxide. The Evolution of the Atmosphere. References. Appendix: Supplementary Tables.
Tryptanthrin Sulfonate: Crystal Structure, Cytotoxicity and DNA Binding Studies

Tryptanthrin (TPT), which is an indoloquinazoline alkaloid with multiple biological activities, was studied on its sulfonation in order to increase its water solubility. An 8-substituted tryptanthrin sulfonate (TPTS) was synthesized and structurally characterized by IR, 1H-NMR, ESI-MS, as well as X-ray single crystal diffraction analysis. The interactional mechanism of TPTS with calf thymus DNA (ctDNA) was further studied by UV spectroscopy and DNA viscosity experiment. The addition of ctDNA into the TPTS solution induced moderate hypochromicity on its electronic absorption spectrum, by which an intrinsic binding constant of 1.10×104 M-1 was achieved. While addition of TPTS caused significant increasement on the viscosity of ctDNA solution. The results suggest that TPTS interacts with ctDNA mainly by intercalative binding mode.