Miracle-dz/UniFAR-FTUs huggingface dataset:
Column system for concurrent assessment of emission potential and pest control of soil fumigants.

Fumigation for soilborne pest and pathogen control is under close scrutiny because of its potential hazardous effects on the environment and on human health. Therefore, reduced-risk yet effective fumigation practices are imperatively needed. We have developed a column system that allows an integrated evaluation of emission potential and efficacy of fumigants. The system consists of a large, packed soil column and a sampling chamber for measuring fumigant emissions at the soil surface. Nematodes (or other pests) can be inoculated into the column and their survival may be assayed after the treatment. This approach was used to evaluate the emission of 1,3-dichloropropene (1,3-D) and its efficacy against the citrus nematode Tylenchulus semipenetrans when ammonium thiosulfate, a 1,3-D degrading fertilizer, was applied at the soil surface. Results closely comparable to field observations were obtained. Compared with field studies, the proposed method is rapid and inexpensive, and thus may be used for screening fumigation practices that have improved environmental safety and pest control performance.
Changes in CNT-confined water structural properties induced by the variation in water molecule orientation

Using a (8, 8) carbon nanotube (CNT) as a model for nanochannel, we studied the effects of carbonyl (–CO) groups and external electric field on the properties of confined water molecules by molecular dynamics simulation. We analysed the density profiles, the distribution of orientation and the hydrogen bonds of water molecules in the axial and radial directions of the CNT. The results show that –CO groups are more powerful than electric fields on controlling water properties, and property changes induced by –CO groups are less affected by electric fields. Meanwhile, the particular behaviour of water molecules induced by the –CO groups is not limited near the –CO groups, but also expands to the whole CNT.
Speciation of Water-Extractable Organic Nutrients in Grassland Soils

The release of dissolved organic matter (DOM) from agricultural land can have a large impact on the transport of N and phosphorus (P) to surface waters leading to water quality impairment. The speciation of DOM in agricultural grassland soils has received little attention thus far. Quantification of DOM speciation can improve our knowledge of its fate in these soils. Furthermore, the influence of temperature on DOM concentration and composition is still ambiguous. In this study, we determined the concentration and composition of water-extractable organic carbon (EOC), water-extractable organic N (EON), and water-extractable organic P (EOP) before and after incubation of sand, peat, and clay grassland soils at different temperatures (1.5 °C, 10 °C, and 20 °C) for 35 days. Extracted organic compounds were fractioned in three operationally defined fractions: humic acids (HA), fulvic acids (FA), and hydrophilic (Hy) compounds using a recently developed batch fractionation method. Both EON and EOP formed a major fraction of total N and P. Concentrations of EOC, EON, and EOP were different among the sand, peat, and clay soils, but their speciation was remarkably similar. The EOC and EON were mainly present in the hydrophobic form (HA and FA), whereas EOP was mainly present in the Hy fraction. An increase in temperature generally resulted in a decrease of the total EOC, EON, and EOP concentrations, whereas the speciation remained constant. The effect of temperature on the dynamics of DOM is not necessarily related to net changes in pool size of the HA, FA, and Hy fractions. Insight into the influence of incubation temperature on the dynamics of EOC, EON, and EOP can only be achieved when the processes responsible for the consumption and the production of dissolved organic nutrients are quantified.
Chemical and microbiological studies of sulfide‐mediated manganese reduction 1

Abstract Laboratory studies of manganese reduction by naturally occurring reduced inorganic compounds were undertaken, both to study further possible in situ mechanisms of manganese reduction and to examine how manganese redox reactions might be coupled to other biogeochemical processes. Chemical manganese reduction by sulfide (in the presence of excess manganese oxide) was found to be rapid and complete, with all sulfide being oxidized within 5–10 min. The reduction of δMnO2 by sulfide involves a two‐electron transfer, with S° the predominant oxidized sulfur product. Using a marine sulfate‐reducing bacterium (Desulfovibrio sp.), the kinetics of sulfide‐dependent, bacterially mediated manganese reduction were studied; the rate‐limiting step was bacterial sulfide production. These findings suggest that in stratified marine environments (such as the Black Sea, Saanich Inlet, or certain coastal sediments) manganese reduction should occur just below the oxic‐anoxic (O2/H2S) interface or redox boundary as a re.
TOXIC POTENTIAL OF SUPERWARFARIN: BRODIFACOUM

Summary Brodifacoum, a commercially available, long-acting anticoagulant rodenticide, is a highly toxic compound. Structurally it is similar to warfarin, but it is many times more potent, with the ability to cause severe bleeding in humans. Most of the health hazards of brodifacoum are associated with accidental ingestion. Superwarfarin intoxication may have no signs or symptoms other than bleeding at various sites. Brodifacoum has the potential to be used as a chemical warfare agent because of its high potency and long duration of action.
CARBON ISOTOPIC FRACTIONATION IN THE SCHMIDT DECARBOXYLATION: EVIDENCE FOR TWO PATHWAYS TO PRODUCTS

The evolution of CO/sub 2/ at 5 +- 2/sup 0/C from the H/sub 2/SO/sub 4/-catalyzed reaction of n-octanoic acid with HN/sub 3/ in CHCl/sub 3/ (the Schmidt decarboxylation) takes place in two kinetic phases with different carbon kinetic isotope effects. Experiments were carried out under high-efficiency stirring conditions at HN/sub 3/ concentrations ranging from 1.47 to 0.24 M. At an initial HN/sub 3/ concentration of 1.47 M, the pseudo-first-order rate constant for the first kinetic phase was 0.07 +- 0.03 h/sup -1/, with /sup 12/k//sup 13/k = 1.0589 +- 0.0003. After a lag time of 48 minutes the rate of CO/sub 2/ evolution changed, with the pseudo-first-order rate constant (1.47 M HN/sub 3/) increasing to 0.45 +- 0.02 h/sup -1/; /sup 12/k//sup 13/k approx. = 1.03. Results obtained at lower HN/sub 3/ concentrations showed that the first, slower reaction phase displayed overall first-order kinetics, its rate being independent of HN/sub 3/ concentration. The first reaction phase could be suppressed by addition of KHSO/sub 4/ to the H/sub 2/SO/sub 4/. Preequilibration of the HN/sub 3//CHCl/sub 3/ with H/sub 2/SO/sub 4/ markedly affected the isotopic composition of the initial CO/sub 2/ product, apparently effecting the initial transient utilization of the second-phase reactionmore » pathway through the action of the H/sub 2/SO/sub 4/ on the HN/sub 3/. Although the kinetic phases could not be resolved at 22/sup 0/C, the isotopic composition of the evolved CO/sub 2/ indicated that both pathways to the product were being utilized. 2 figures, 2 tables. « less
Chemical synthesis of polypyrrole doped with dodecyl benzene sulfonic acid

Among the conducting polymers, polypyrrole (PPY) is one of the most attractive polymer due to its wide range of applications related to its good stability and conductivity. How-ever its insolubility in some common organic solvents limits its wide range of applications. In the present work an attempt has been made to synthesize soluble and stable PPY by inverse emulsion polymerization using dodecyl benzene sulfonic acid (DBSA) as a dopant as well as surfactant. A mixture of chloroform and 2-butanol was used as a novel dispersion medium and benzoyl peroxide as an oxidant. Optimizing the concentration of monomer and oxidant, the percent yield of PPY salts was calculated. Intrinsic viscosity of the PPY salts was calculated using capillary viscometer and was found to be dependent upon monomer concentration. Synthesized PPY salts were characterized by FTIR, XRD, SEM and CV. The thermal stability of the PPY-DBSA was determined by TGA in which a thermogram showing three step decomposition patterns was obtained. The synthesized PPY-DBSA was found to be stable upto 520 ºC, which is so far the highest thermal stability reported for PPY.
High-Fidelity Raman Imaging Spectrometry: A Rapid Method Using an Acousto-Optic Tunable Filter

In this communication, we describe a technique for obtaining high-fidelity Raman images and Raman spectra. The instrumentation provides the ability to rapidly collect large-format images with the number of image pixels limited only by the number of detector elements in the silicon charge-coupled device (CCD). Wavelength selection is achieved with an acousto-optic tunable filter (AOTF), which maintains image fidelity while providing spectral selectivity. Under computer control the AOTF is capable of µs tuning speeds within the operating range of the filter (400–1900 nm). The AOTF is integrated with the CCD and holographic Raman filters to comprise an entirely solid-state Raman imager containing no moving parts. In operation, the AOTF is placed in front of the CCD and tuned over the desired spectral interval. The two-dimensional CCD detector is employed as a true imaging camera, providing a full multichannel advantage over competitive Raman imaging techniques. Images and spectra are presented of a mixture of dipalmitoylphosphatidylcholine (DPPC) and L-asparagine, which serves as a model system for the study of both lipid/peptide and lipid/protein interactions in intact biological materials. The Raman images are collected in only several seconds and indicate the efficacy of this rapid technique for discriminating between multiple components in complex matrices. Additionally, high-quality Raman spectra of the spatially resolved microscopic regions are easily obtained.
Durum Wheat Quality: A Multidisciplinary Concept

The quality of durum wheat cannot be simply defined since it changes depending on the worker and end-use. Here we report a description of quality aspects evaluated at different levels: by the farmer, grain dealer, seed company, milling industry, pasta industry and consumer. The transformation of durum wheat to improve the quality for traditional end-uses and for novel applications is also described.
Nanophotonic perovskite solar cell architecture with a three-dimensional TiO2 nanodendrite scaffold for light trapping and electron collection

Nanophotonic perovskite solar cells have been fabricated by infiltrating methylammonium lead iodide (MAPbI3) into the interstices of the quasi-single-crystalline TiO2 nanodendrite (ND) array. The TiO2 ND array in the active layer serves as not only the nanophotonic light trapping structure but also the electron transport medium for enhancing both light harvesting and electron collection to challenge the issue of short electron diffusion length in MAPbI3-based solar cells. Finite difference time domain simulation results indicate that the ND in the MAPbI3 matrix exhibits superior light trapping performance compared to the nanorod (NR), which can well explain the comparable light harvesting in the MAPbI3–TiO2 ND and the MAPbI3–TiO2 NR solar cells although the MAPbI3 amount in the former is ∼10% less. Moreover, the branches developed from the trunks of the NDs will extract the photoelectrons from MAPbI3 to reduce the electron transport length in the MAPbI3 matrix. The higher internal quantum efficiencies, especially at longer wavelengths, confirm the enhanced electron collection in the MAPbI3–TiO2 ND solar cell. Compared to the MAPbI3–TiO2 NR solar cell, the 22% and 25% enhancements in the average Jsc and PCE are respectively attained in the MAPbI3–TiO2 ND solar cells.
THE PAH COMPOSITION IN LIMPETS (PATELLA VULGATA L.) FROM THE COASTS OF SICILY (ITALY)

This article examines the presence, distribution, nature and sources of 19 Polycyclic Aromatic Hydrocarbons (PAH), in Patellae (patella vulgate L.) and seaweed (vulva) sampled in different stations of Sicilian coastal environments and analyzed for their polycyclic aromatic hydrocarbon (PAH) content. Analysis was performed by gas chromatography/mass spectrometry (GC/MS) with selected ion monitoring (SIM), after saponification of the sample and clean up of the extract. In the limpets the total concentration of polycyclic aromatic hydrocarbons ranged from 34 to 750 μ g/Kg of dry matrix. The relative standard deviation (RSD) of the replicas on the concentrations of individual compounds ranged from 4 to 20%. The accuracy of method was estimated by analyzing “blank” samples spiked with known quantities of analytes and the recover percentage was 82 ± 12%. The detection limit (LOD) of analytical procedure was less than 0.2 μ g/Kg d.w. for all analytes. The quantification limit (LOQ) of analytical procedure was less 0.7 μ g/Kg d.w. The resulting distributions and weight ratios of specific compounds are discussed in terms of sampling location and origin. The results obtained show that levels of contamination vary from one sampling station to the next, while relative distributions of PAH is homogeneous in most stations. Lipidic content and total PAH concentrations were found not to be correlated and the compounds present in limpets were shown to be mainly of petrogenic origin. There is no evidence of coal-tar contamination.
Polymer Molecular Weight Analysis by 1H NMR Spectroscopy

The measurement and analysis of molecular weight and molecular weight distribution remain matters of fundamental importance for the characterization and physical properties of polymers. Gel permeation chromatography (GPC) is the most routinely used method for the molecular weight determination of polymers whereas matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) is a fast-emerging absolute, and therefore accurate, technique. Although NMR spectroscopy is one of the most powerful tools available for polymer microstructure characterization, among others, its utility in the molecular weight analysis of polymers is somewhat underappreciated. It is a reliable and more readily available teaching tool in comparison to other known techniques, such as GPC and MALDI-TOF MS, for the molecular weight determination of polymers. Demonstrated herein are the simplicity, reproducibility, and convenience of 1H NMR spectroscopy in the analysis of polymer number-average molecular weig.
Change in color & appearance of β-Glucan fortified instantinized RTS milk beverage powder

β-Glucan is a soluble dietary fibre and imparts viscosity to the meals. The incorporation of β-Glucan in milk causes instability of the milk protein and leads to phase separation. Spray drying is the process of contacting an atomized stream to be dried with a gas stream that is at a higher temperature than the liquid stream. The higher temperature of the gas stream causes evaporation of the liquid from the droplets, forming particles. Spray drying has been used extensively in the food industry for example the manufacture of milk powder. This study was done to formulate a ready to serve milk beverage powder and observe the change over a storage period of 180days at four different temperatures, i.e. 10oC, 25oC, 37oC and 45oC. The highest score was obtained for the sample stored at 10oC followed by 25oC.
The joint probability distribution of structure factors: the first‐order term

The first-order term of the joint probability distribution of Eh1 + k, . , Ehm + k, for h1, . , hm fixed and k variable, is derived for both space groups P{\bar 1} and P1. It appears that the first-order term affects the most probable values for the moduli of the structure factors, but that it has no influence on the most probable values for the phases.
Diffusion and solubility of methane in polyisobutylene

Diffusion coefficients and solubilities of methane in polyisobutylene have been measured at four temperatures between 102 and 188°C. in the pressure range 23–341 atm. Diffusion coefficients extrapolated to atmospheric pressure range from 1.72 × 10−6 cm.2/sec. at 102°C. to 1.5 × 10−5 cm.2/sec. at 188°C. corresponding to an activation energy for diffusion of 8.7 ± 0.4 kcal. /mole. Solubilities are small, about one molecule of methane for every forty carbon atoms in the polyisobutylene at 300 atm. partial pressure of methane. Solubilities vary little with temperature, but show an apparent minimum between 127 and 188°C. With improved methods of data analysis, diffusion coefficients and solubilities have been recalculated from previously reported studies on nitrogen in branched polyethylene and methane in branched polyethylene, linear polyethylene, and polystyrene. Recalculated diffusion coefficients are essentially the same as those reported previously, but the recalculated solubilities are decreased from 2 to 30%. The solubilities of all five systems show strong deviations from Henry's law, i.e., increases in partial pressure of methane and nitrogen with respect to solubility exceed linearity. The partial pressure (or fugacity)—solubility data may be interpreted in terms of a sorption model in which sorbed molecules are accommodated in widely dispersed, unoccupied volumes or sites in the polymer. An almost equivalent, solution model in which the first sorbed molecules to enter the polymer are accommodated to a large extent in existing volumes in the polymer, with successively sorbed molecules swelling the polymer to a greater extent (i.e., partial molal volume of sorbed molecules, V1, increasing with concentration) can also account for these data.
Irrigation- and nitrogen-management impacts on nitrate leaching under potato

As potato (Solanum tuberosum L.) production increases in the North-Central Region of the USA, so does the potential for deep seepage of nitrogenous compounds into the ground water. The objectives of this 2-yr study were to determine how different irrigation schemes (sprinkler and drip), irrigation triggers (70 and 40% of the available soil water [AW] remaining), drip placement (at the soil surface or buried at 25-cm depth), and various N sources (urea, sulfur-coated urea [SCU], and turkey [Meleagris gallopavo] manure) and timings (three- vs. five-N splits) affect percolation and NO 3 leaching. As expected, water percolation was generally higher from the sprinkler-irrigation than from the drip-irrigation treatments. Within the sprinkler irrigation, percolation was higher when irrigated at 70% than at 40% of AW remaining. Small but frequent irrigation in drip treatments helped reduce water percolation. Within irrigation treatments. 70% AW had the most N leaching, followed by 40% AW and the drip, the last two treatments being about the same. The trend in N leaching among fertilizer treatments was similar for various irrigation methods. Splitting N applications five times vs. three times reduced N leaching from unforeseen rains. Sulfur-coated urea reduced N leaching, whereas turkey manure-amended treatments showed no significant difference in N leaching compared with the urea-N treatment. In conclusion, alternatives such as 40% deficit irrigation, five-N application splits, drip irrigation, S-coated urea, and turkey manure not only reduce N leaching but also have a minimal impact on potato tuber yield and tuber quality.
Grassland renovation increases N2O emission from a volcanic grassland soil in Nasu, Japan

Abstract To investigate the effects of renovation (ploughing and resowing) on nitrous oxide (N2O) emissions from grassland soil, we measured N2O fluxes from renovated and unrenovated (control) grassland plots. On 22 August in both 2005 and 2006 we harvested the sward, ploughed the surface soil and then mixed roots and stubble into the surface soil with a rotovator. Next, we compacted the soil surface with a land roller, spread fertilizer at 40 kg N ha−1 on the soil surface and sowed orchardgrass (Dactylis glomerata L., Natsumidori). In the control plot, we just harvested the sward and spread fertilizer. We determined N2O fluxes for 2 months after the renovation using a vented closed chamber. During the first 2 weeks, the renovated plot produced much more N2O than the control plot, suggesting that N was quickly mineralized from the incorporated roots and stubble. Even after 2 weeks, however, large N2O emissions from the renovated plot were recorded after rainfall, when the soil surface was warmed by sunshine and the soil temperature rose 2.7–3.0°C more than that of the control plot. In 2005, during the 67-day period from 19 August to 26 October, the renovated and control plots emitted 5.3 ± 1.4 and 2.8 ± 0.7 kg N2O-N ha−1, with maximum fluxes of 3,659 and 1,322 µg N2O-N m−2 h−1, respectively. In 2006, during the 65-day period from 21 August to 26 October, the renovated and control plots emitted 2.1 ± 0.6 and 0.96 ± 0.42 kg N2O-N ha−1, with maximum fluxes of 706 and 175 µg N2O-N m−2 h−1, respectively. The cumulative N2O emissions from plots in 2005 were greater than those in 2006, presumably because rainfall just after renovation was greater in 2005 than in 2006. These results suggest that incorporated roots and stubble may enlarge the anaerobic microsites in the soil in its decomposing process and increase the N2O production derived from the residues and the fertilizer. In addition, rainfall and soil moisture and temperature conditions during and after renovation may control the cumulative N2O emission.
Pulse withstand capability of self-healing metalized polypropylene capacitors in power applications

Experiments performed on the end-edge contacts of polypropylene capacitors to determine whether the thermal effect is the main cause of their degradation are described. Current pulses with different wave-shapes but with the same value of the Joule integral were applied to the contacts, and the degradation levels were ascertained by measuring the tan delta variation, since degradation of the contacts results in an increase of the equivalent series resistance of the capacitor. The results obtained show only a partial dependence of the degradation level on thermal stress, revealing a contribution from the electrical and mechanical stresses. >
High-Precision Isotopic Determination of the 18O/16O and 17O/16O Ratios in Nitrous Oxide

A decomposition system has been developed for the quantitative conversion of nitrous oxide to molecular nitrogen and oxygen for high-precision mass spectrometric isotopic determinations. N 2 O is thermally decomposed (>800°C) to N 2 and O 2 in the presence of a gold catalytic surface. N 2 and O 2 are quantitatively separated using previously developed techniques. This system is unique in that it allows measurment of both the 18 O/ 16 O and 17 O/ 16 O ratios in N 2 O. Data are presented for samples of commercially obtained N 2 O with its corresponding oxygen isotopic composition and decomposition yields
Infrared Studies of “Hard” and “Soft” Woods

FT-IR spectra of 24 different woods have been studied with the use of whole wood pieces and a diffuse reflectance accessory. Three absorptions have been identified, the positions or relative intensities of which are characteristic of the holocellulose/lignin ratio or of the type of lignin present in the wood. These spectral features serve as useful indicators to distinguish between “soft” or “hard” woods.