Miracle-dz/UniFAR-FTUs huggingface dataset:
One step synthesis of highly ordered free standing flexible polypyrrole-silver nanocomposite films at air–water interface by photopolymerization

Free standing polypyrrole-silver nanocomposite films were prepared by interfacial photopolymerization of pyrrole (in DCM) using AgNO3 (aqueous) as photosensitizer. During the photopolymerization process, film formation starts first at the DCM–water interface and later at the air–water interface. The films prepared at the air–water interface are thin (<1 μm), flexible, having a very low content of uniformly distributed metallic Ag nanoparticles and exhibiting high electrical conductivity ∼14.8 S cm−1. The thick films (∼200 μm) prepared at the DCM–water interface are porous, mechanically weak, contain a very high amount of Ag micro and nanoparticles and exhibit two orders of magnitude lower conductivity ∼0.1 S cm−1. High conductivity of PPy-Ag films formed at the air–water interface is attributed to controlled polymerization due to the limited availability of pyrrole and Ag+ ions at this interface.
Carbon remineralization in a north Florida swamp forest: Effects of water level on the pathways and rates of soil organic matter decomposition

Water level controlled gas emissions from North Florida swamp forests. Under flooded conditions, CO2 and CH4 were the principle carbon gases transported to the atmosphere by bubble ebullition and molecular diffusion. The respective emission rates were for CO2, 29.3 ± 16.4 (13% by means of ebullition, 87% by means of diffusion, error is ± 1 standard deviation throughout) and for CH4, 2.16 ± 2.24 (45% by means of ebullition, 55% by means of diffusion) mol m−2 yr−1. Methane emissions were significantly attenuated by CH4 oxidation which occurred primarily at the sediment-water interface. Forty-six ± 22 % (n=19) of the belowground CH4 diffusing to this interface was oxidized before it could escape to the atmosphere. Under dry conditions, CO2 was the principle carbon gas released and atmospheric CH4 was consumed by microbes in the soil. The respective rates were 101.2 ± 26.80 and −0.015 ± 0.005 mol mr−2 yr−1. A carbon budget for the degradation of soil organic matter was developed for a swamp forest site under flooded and dry conditions. Assuming that live root respiration accounted for 67% (value determined in a swamp forest and is at the upper range of literature values) of the total CO2 emissions (given above), we calculate that under flooded conditions carbon remineralization proceeded at a total rate of 11.9 mol C m−2 yr−1. Forty-nine percent of the remineralization was by means of nonmethanogenic processes which produce CO2; the balance was by means of methanogenic processes, which produce both CH4 and CO2. Under dry conditions, remineralization was dominated by aerobic processes at a rate of 33.7 mol C m−2 yr−1. Carbon inputs to the soil occurred by aboveground and belowground production. Aboveground litter production contributed 25.6 mol C m−2 yr−1. If belowground production contributed an equal amount, then over the course of this study organic carbon accumulated in the soils at rates of 39.3 and 17.5 mol C m−2 yr−1 under flooded and dry conditions, respectively. If root respiration accounted for only 6% (lowest value in literature) of the total CO2 emissions, organic carbon would accumulate in the soil at a rate of 21.6 mol C m−2 d−1 under flooded conditions and be lost from the soil at a rate of 43.8 mol C m−2 d−1 under dry conditions.
Solvent suppression with symmetrically-shifted pulses

Symmetrically-shifted shaped pulses are used to suppress large solvent resonances such as water while allowing the observation of protons exchanging with, or buried under, the water resonance. Symmetrically-shifted pulses form a family of pulses that have been optimized for non-excitation of the water resonance and can be seen as having historical precedence in, and many of the properties of, long rectangular pulses and binomial sequences. Linear prediction software coupled with data shifting is used to eliminate the undesirable frequency-dependent phase and baseline problems normally associated with pulses or excitation schemes of this length. Zero-frequency solvent subtraction is also described
Generation of Synthetic Background Spectra by Filtering the Sample Interferogram in FT-IR

The calculation of an absorbance spectrum depends on the measurement of a blank, or background spectrum. In many cases, such as the determination of atmospheric constituents with the use of open-path Fourier transform infrared spectroscopy (FT-IR) or the determination of water vapor in a gaseous sample, it is very difficult to obtain a good background spectrum. The difficulty is due to the fact that it is nearly impossible in these situations to measure a spectrum with no analyte features present. We present a method of generating a background spectrum based on filtering the analyte features from the sample spectrum. When the filtering method is used, the accuracy of the results obtained is found to be dependent upon the analyte peak width, peak height, and type of filter employed. Guidelines for the use of this background generation technique for quantitative determinations are presented.
Effect of NaCl, MgCl2, FeCl2, FeCl3, and AlCl3 on Solubility of CaSO4 Phases in Aqueous HCl or HCl + CaCl2 Solutions at 298 to 353 K

The effect of various chloride salts (NaCl, MgCl2, FeCl2, FeCl3, and AlCl3) on the solubility of three CaSO4 modifications, namely, calcium sulfate dihydrate, hemihydrate, and anhydrite in aqueous HCl or HCl + CaCl2 solutions up to 353 K was investigated. The concentration ranges (at ambient temperature) studied are up to 6 mol·dm-3 for HCl; 1.5 mol·dm-3 for CaCl2; 3 mol·dm-3 for NaCl, MgCl2, and FeCl2; and 2 mol·dm-3 for AlCl3 and FeCl3. The solubility of CaSO4 phases in all cases investigated was found to increase with temperature. In 0.5 mol·dm-3 HCl, the effect of metal chlorides on the solubility of dihydrate was a complex one with solubility increasing up to a certain metal chloride concentration and then decreasing in higher range of metal chloride concentration. On the other hand at higher HCl concentration (3 mol·dm-3), the solubility of dihydrate and anhydrite was found to consistently decrease with increasing metal chloride concentration. The only exception was NaCl, which was found not to infl.
Influence of KF and HF on the selectivity of Zr and Hf separation by fractional crystallization of K2Zr(Hf)F6

For nuclear applications, zirconium metal (Zr) must adhere to stringent specifications, where a low hafnium (Hf) content, i.e., <100 ppm, is one of the most important requirements due to the opposing nuclear characteristics of the two elements. Hf-purified Zr is however not easily obtained, as the two entities occur together in nature and they are exceptionally difficult to separate due to their close chemical and physical similarities. In this study, cooling crystallization of K2Zr(Hf)F6 from aqueous solutions, i.e., fractional crystallization, was investigated as a separation method. The influence of the solvent composition on the selectivity of fractional crystallization as separation method was studied, wherein KF and HF were used as additives. Using scanning electron microscopy and X-ray diffraction analysis of the product crystals, it is shown that crystallization from KF solutions resulted in a decrease in the crystal size leading to the formation of K3Zr(Hf)F7 with increasing KF concentration. The.
Synthesis of a Well-Defined Glycopolymer by Nitroxide-Controlled Free Radical Polymerization

This is the first report of the synthesis of a well-defined glycopolymer by free radical polymerization. N-(p-vinylbenzyl)-[O-β-d-galactopyranosyl-(1→4)]-d-gluconamide (VLA), a styrene derivative with an oligosaccharide moiety, was polymerized in N,N-dimethylformamide solution at 90 °C by the nitroxide-mediated free radical polymerization technique. Acetylated VLA gave polymers with a molecular weight from about 2000 to 40 000, an Mw/Mn ratio of about 1.1 in all cases, and a conversion of up to about 90%, where Mw and Mn are the weight- and number-average molecular weights. Indispensable for this success were (1) the use of di-tert-butyl nitroxide (DBN) rather than other nitroxides such as TEMPO, (2) the acetylation of VLA, and (3) the use of a radical initiator DCP (dicumyl peroxide) as an accelerator. DBN provided a well-controlled polymerization of VLA at 90 °C (VLA becomes unstable at higher temperatures, e.g., >120 °C). The acetylation effectively prevented the chain transfer that leads to dead polym.
Chemical modification of amino acids by atmospheric-pressure cold plasma in aqueous solution

Plasma medicine is an attractive new research area, but the principles of plasma modification of biomolecules in aqueous solution remain elusive. In this study, we investigated the chemical effects of atmospheric-pressure cold plasma on 20 naturally occurring amino acids in aqueous solution. High-resolution mass spectrometry revealed that chemical modifications of 14 amino acids were observed after plasma treatment: (i) hydroxylation and nitration of aromatic rings in tyrosine, phenylalanine and tryptophan; (ii) sulfonation and disulfide linkage formation of thiol groups in cysteine; (iii) sulfoxidation of methionine and (iv) amidation and ring-opening of five-membered rings in histidine and proline. A competitive reaction experiment using 20 amino acids demonstrated that sulfur-containing and aromatic amino acids were preferentially decreased by the plasma treatment. These data provide fundamental information for elucidating the mechanism of protein inactivation for biomedical plasma applications.
Characterization of Molecular Mass Ranges of Two Coal Tar Distillate Fractions (Creosote and Anthracene Oils) and Aromatic Standards by LD-MS, GC-MS, Probe-MS and Size-exclusion Chromatography

Laser-desorption mass spectrometry (LD-MS) method development was undertaken to improve estimates of mass ranges for complex hydrocarbon mixtures. A creosote oil, an anthracene oil, and a mixture of known polynuclear aromatic hydrocarbon (PAH) compounds were examined. The data on the mixture of the four PAHs made it possible to define LD-MS conditions necessary to generate artifacts such as cluster ions by the combination of high laser power and high-mass accelerator voltage. The formation of cluster ions was possible without overloading the detector system. These multimer ions overlapped with higher-mass ion signals from the sample. However, careful balancing of sample concentration, laser power, total ion current, and delayed ion extraction appears to show high-mass materials without generating high-mass multimer (artifact) ions. It is possible to suppress the formation of cluster ions by keeping low target concentrations and, consequently, low gas phase concentrations formed by the laser pulse. The pri.
Lumber Strength Estimation by Multiple Regression

Bending and tensile strength of 2 by 4 lumber was estimated by one parameter and multiple parameter regression analyses. The strength predictors evaluated include static and dynamic modulus of elasticity (MOE), shear modulus, density, velocity, screw withdrawal resistance, acousto-ultrasonic parameters, visual parameters (knot diameter ratios and modified knot diameter ratio). Remarkable improvement was found in strength estimation when the regression model was changed from single parameter regression to two parameter regression. The best bending strength predictor is the MOE followed by the modified knot diameter ratio, while the best tensile strength predictor is the 4-face concentrated knot diameter ratio and followed by the dynamic MOE obtained through longitudinal vibration. The result affirm the importance of simultaneous grading of lumber based on MOE (machine stress rating) and appropriate visual grading of lumber.
Jamming effectiveness of infrared jammer on cross-detector

The jamming effectiveness of infrared jammer on cross-detector was researched by modeling and simulating. The mechanism of cross-detector seeker's target recognization and the influences of jamming signal on cross-detector seeker were analyzed. The total simulation model of missile and the target recognization models of reticle seeker and cross-detector seeker under jamming were established. By simulation, jamming effectiveness of IR jammer when jamming two representative kinds of IR missiles in different suppression ratios and duty ratios were researched quantificationally. The results show that IR jammer's jamming effectiveness on cross-detector seeker is much worse than it on reticle seeker; suppression ratio's increase can rise IR jammer's jamming effectiveness; the jamming effectiveness on cross-detector seeker reaches to maximum when duty ratio is 0.5.
An overview of water resources management of the Pearl River

This paper summarizes the main features of water resources management of the Pearl River basin in southern China. A regulation over the basin through integrating various regions was first established for enhancing the water resources management. Based on such a regulation, a public policy frame was then constructed aiming for the harmony between human activities and nature. It is hoped that, as a result, the basin's socio-economic sustainable development could be achieved. In practice, the Pearl River Water Resources Commission (PRWRC), which is the basin regulatory authority, has been focusing on various aspects of regulating water basin and conserving water resources. These aspects include the development of innovative regulations of treating water, exploration of compensation schemes for water resources prevention, investigation of the hydraulic engineering project impacts on region relocation and ecology, and establishment of marketing schemes for sustainable application of water resources. It is expected that these regulating water resources aspects would result in enhancing public participation and negotiation in the Pearl River basin management. A case study is presented on the PRWRC's effort in coordinating water discharges from a number of reservoirs to protect the safe water supply in the Pearl River basin from seawater intrusion during the dry season.
Aluminum toxicity effects on durum wheat cultivars

Abstract The effects of aluminum on biomass, nutrients and kinases were studied in two durum wheat cultivare (Triticum durum Desf. cvs Sapfo, Capeiti 82) grown in nutrient solutions (pH 4.5) at seven Al levels (0, 9.3, 18.5, 37.1, 74.1, 148, and 297 μM). The most evident Al toxicity symptom was a reduction in root growth. Sapfo showed greater Al tolerance than Capeiti 82. However, both cultivare must be characterized as Al‐sensitives. Aluminum in the nutrient solution above 74.1 μM significantly (P<0.05) reduced root growth of both durum wheat cultivare. The concentration of 74.1 μM Al can be suggested for screening of durum wheats on the basis of tolerance to Al. The concentrations of the nutrients Ca, Mg, K, and Fe in the plant tissues of both cultivare decreased even at low Al levels. The decrease of Ca+2 content in leaves and roots of the two durum wheat cultivare was almost the same while the less sensitive cultivar Sapfo retained larger amounts of Mg+2 in roots and leaves compared with the more sens.
SERS detection of explosive agent by macrocyclic compound functionalized triangular gold nanoprisms

Triangular gold nanoprisms with high yield percentage were synthesized via the seed-mediated approach and functionalized by mono-6-thio-β-cyclodextrin without alkyl chain. The undecorated and decorated triangular gold nanoprisms were characterized and analyzed. Moreover, the novel decorated triangular gold nanoprisms were used as surface-enhanced Raman spectroscopy (SERS) substrates for chemical sensing of the explosive agent 2,4-dinitrotoluene (DNT). The vibrational bands in the experimental SERS spectrum were assigned with the aid of density functional theoretical simulation. The analytical enhancement factor of the hybridized triangular gold nanoprisms for the detection of DNT has been obviously increased in contrast with hybridized spherical gold nanoparticles, suggesting that the former are excellent SERS substrates. Compared to some other approaches, the limit of detection can be remarkably improved (qualified as sub-ppb level), which indicates that the excellent chemical sensing of decorated triangular gold nanoprisms can be widely applied to trace analysis of explosive or warfare agents. Copyright © 2011 John Wiley & Sons, Ltd.
Analysis and Prediction of Sieving Curves for Ultrafiltration Membranes: A Universal Correlation?

Abstract Sieving curves [variations in sieving coefficient (θ) with Einstein-Stokes radius (α) of the permeating macromolecule] of a number of synthetic ultrafiltration membranes, and of a variety of mammalian glomerular membranes studied in vivo, conform surprisingly closely to a log-normal-probability relationship between θ and α which allows determination of the complete sieving curve from experimental measurement of only two sieving coefficients for two macrosolutes of differing ESR. Even more striking is the finding that, for all membranes examined, the value of α corresponding to θ = 0.5 (the inflection point in the sieving curve) varies only between 17 and 34 A, and geometric standard deviation about the mean macrosolute radius ([sgrave]α), which is inversely related to the “sharpness” of the sieving curve, lies between 1.2 and 1.7. It is concluded that not only is the log-probability correlation a reasonable and convenient means for interpreting and predicting membrane sieving data, but that most .
35.4: Stable and Efficient Organic Light Emitting Diodes Based on a Single Host of p‐Doped and n‐Doped Layers

A power‐efficient and stable organic light emitting diode with a simplified structure based on 2‐methyl‐9,10‐di(2‐naphthyl)anthracene (MADN) has been developed. The incorporation of 10% tungsten oxide (WO3) into MADN and 15% cesium carbonate (Cs2CO3) into MADN has been found to improve the hole and electron injection, respectively. Based on this work, it is anticipated that p‐i‐n OLEDs fabrication process can be considerably simplified and the bill of materials cost can reduced by using one ambipolar host for both the p‐ and n‐doped carrier transport layers.
Fermentation Characteristics, In Situ Rumen Degradation and Aerobic Stability of Whole Crop Barley Ensiled with Urea or Aqueous Ammonia

Various chemical compounds might be added to forage to maintain or improve the quality value of a crop ensiled. The aim of the present experiment was to evaluate the fermentation characteristics, in situ rumen degradation and Aerobic Stability of whole crop barley ensiled with Urea or aqueous Ammonia. In the first experiment, Whole crop barley was harvested (35% DM), chopped, and then ensiled using laboratory silos (n= 4) as untreated (UT) or treated with urea (10, 20, 30 and 40 g kg-1 DM; U1, U2, U3 and U4, respectively) or aqueousammonia (10 and 20 g kg-1 DM; A1 and A2, respectively) for 30 days. Standard procedures were used to determine the chemical composition of the samples. The pH of the aqueous silage extract was determined using a pH meter. Ammonia-N concentration was determined in acidified silage extract (5 ml of the extract + 5 ml of 0.2 M HCl) using a distillation method. Four sheep (live weight: 44±3 kg) fitted with rumen fistulae were used. Approximately 5 g DM of each sample was placed in a polyester nylon cloth bag (10 × 12 cm, pore size of 52 μm, n=4), then incubated in the rumen for 0.0, 2, 4, 8, 16, 24, 48, 72 and 96 h. Rumen removal bags were washed in cold running water and dried in oven (60 °C, 48 h), then weighted to determine DM disappearance. The equation of P= a+b (1-e-ct) was applied to determine the coefficients (a= quickly degradable fraction, b= slowly degradable fraction, c= fractional degradation rate constant). Both urea and anhydrous ammonia caused a significant (P <0.05) increase in silage pH and NH3-N, and CP concentrations. The slowly degradable fraction (b) of the silage treated with urea was significantly (p <0.05) higher than those of the untreated sample. Potential degradability of U4 was higher than other treatments. In a second experiment, whole crop barley was harvested (32.5% DM), chopped, and then ensiled (n= 4) for 35 days as untreated (UT) or treated with urea (23.4 g Kg-1DM) or aqueous ammonium (13.1 g Kg- 1DM), to obtain a final application rate of about 0.35% N of fresh forage weight. The population of yeasts and molds (colony-forming unit= CFU) was determined by spread plating of filtered extract silages on malt extract agar. Aerobic stability was defined as the time it took for the temperature in the silage masses to rise 2 °C above ambient temperature. Whileboth of urea and ammonia had no effect on the initial number of mold in the silages, these treatments significantly lowered CFU of yeast in fresh silages. In this experiment both Ammonia and urea had a significant effect on inhibition of rising temperature and yeast in aerated silages. Urea and ammonia treatments significantly enhanced aerobic stability of silages.
Processing and properties of phthalic anhydride modified soy protein/glycerol plasticized soy protein composite films

Phthalic anhydride modified soy protein (PAS)/glycerol plasticized soy protein (GPS) composite films were fabricated by using extrusion and compression-molding. Modified with phthalic anhydride, the soy protein lost its thermoplastic ability and was used as a filler to reinforce the GPS matrix. Fourier transform infrared spectra, optical transmittance, scanning electron microscope, mechanical tests, water resistance tests, as well as thermo-gravimetric analysis were carried out to investigate the structure and properties of PAS and the plastic composites. The similar chemical structure of PAS and GPS led to compatibility of the two components resulting in high transparency and enhanced tensile properties of the composites. The water resistance of GPS was also improved by the incorporation of PAS. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 42221.
Optimal Wavelength Selection for Quantitative Analysis

A new computer algorithm has been developed for selecting the optimal set of wavelengths for spectroscopic quantitative analysis of mixture samples. The method is based on the criterion of the minimum mean square error between concentrations of the mixture components and their estimates. The branch and bound algorithm finds the optimal set from all possible combinations of wavelengths. This algorithm saves computation time significantly, compared with the enumerative method. The mathematical formulation of the lower bound of the mean square errors for the combinations in a given subset is derived as a recurrence inequality. Experimental results of wavelength selection for infrared absorption spectra of xylene-isomer mixtures are shown to demonstrate the effectiveness of the algorithm in terms of computation complexity and accuracy in quantitative analysis for the fixed measurement time.
Electron transport characteristics of GaN for high temperature device modeling

Monte Carlo simulations of electron transport based upon an analytical representation of the lowest conduction bands of bulk, wurtzite phase GaN are used to develop a set of transport parameters for devices with electron conduction in GaN. Analytic expressions for spherical, nonparabolic conduction band valleys at the Γ, U, M, and K symmetry points of the Brillouin zone are matched to experimental effective mass data and to a pseudopotential band structure. The low-field electron drift mobility is calculated for temperatures in the range of 300–600 K and for ionized impurity concentrations between 1016 and 1018 cm−3. Compensation effects on the mobility are also examined. Electron drift velocities for fields up to 500 kV/cm are calculated for the above temperature range. To aid GaN device modeling, the drift mobility dependences on ambient temperature, donor concentration, and compensation ratio are expressed in analytic form with parameters determined from the Monte Carlo results. Analytic forms are also.