Miracle-dz/UniFAR-FTUs huggingface dataset:
Soil Conditioner by Artificial Ammoxidation of Lignin and Optimization Using Response Surface Methodology

2 ABSTRACT: Lignin biomass was obtained from black liquor, using acid H3PO4. The residue so obtained was used for preparation of soil conditioner by artificial ammoxidation process in a batch reactor. The process parameters identified were composition of oxidizing agent (H2O2+ammonia), reaction time, and temperature. The present study also encompasses optimization of process parameters involved by the application of response surface methodology (RSM), so as to understand the interaction of these parameters. The statistical significance of the model equation was evaluated by the F-test for analysis of variance, which showed that the model is statistically significant at 95% confidence level. The model F-value of 228.48 for ammoxidation process implied that the model was statistically significant. To test the fit of the model, the regression equation and determination coefficient, R 2 were evaluated. In this case, the value of the determination coefficient R 2 = 0.9942 indicated that the model could explain 99.42% of the variability.
Synthesis of New Metal Complexes Derived from Cyanocetylhydrazone (SCH) and its Derivatives with Some Transition Metal Ions in Isopropanol and Tert-Butanol. (IV)

Abstract The synthesis and characterization of cobalt(II), nickel(II), copper(II), zinc(II) cadmium(II), mercury(II) and U(VI)O2 complexes containing salicylaldehyde cyanoacetylhydrazone (SCH), 1-salicyl-hydrazo-3-imino-3-isopropoxy propionic acid hydrazide (SIPPH) and 1-salicylhydrazo-3-imino-3-tert-butoxy propionic acid hydrazide (SIBPH) are reported. The metal complexes have been characterized on the basis of elemental analyses, spectra (NMR, IR, visible), molar conductivities and magnetic moments measurements. Infrared spectral data show that the ligands (SCH, SIPPH and SIBPH) behave in a tridentate and/or bidentate manner with different modes of coordination toward the metal ions. The stereochemistry of the Co(II), Ni(II) and Cu(II) complexes has also been discussed. Moreover, a polymeric structure via an imido group (C[dbnd]NH) for some Cu(II) complexes is considered. Finally NMR spectra of the ligands and some diamagnetic complexes are discussed.
Cost-benefit Analysis and Payments For Watershed-scale Wetland Rehabilitation: A Case Study in Shandong Province, China

The value of wetlands is receiving increasing attention and the Cost–Benefit Analyses (CBA) is essential to evaluate the long-term effects of wetland rehabilitation projects. In order to guarantee the water quality of the South-to-North Water Diversion Project of China (east route), the government of Shandong Province started a huge lakeshore wetland rehabilitation project in 2008. The CBA approach was used to evaluate the ecosystem services in the Nansi Lake watershed, in Shandong Province, China. A shadow project approach and market value approach were applied to estimate the economic values of restored wetlands. The results indicated that values of total net ecosystem service would increase each year after wetland rehabilitation and the net benefit varied with the types of the farmland. The increased amount of ecosystem value brought by the wetland rehabilitation project with three types of farmlands will be 747% for low-productive cropland, 257% for ordinary-productive cropland and 32% for vegetable field per hectare each year. The opportunity cost of farmers who enroll in the project will be 1,575 RMB (Chinese Currency, 6.8 RMB=US$1) for lowproductive cropland, 10,027 RMB for ordinary-productive cropland, 40,560 RMB for vegetable field per hectare each year. These results provide decision makers with data on related benefits and opportunity cost of the wetland rehabilitation program in the Nansi Lake watershed.These results are important not only to certify the ecological significance of the project, but also to choose priority of restoring farmland areas and to determine the amount of payments for ecosystem services.
Removal of copper(II) ions with a thermoresponsive cellulose‐g‐poly(N‐isopropyl acrylamide) copolymer

N-Isopropyl acrylamide monomer was grafted onto cellulose (Cell) with a cerium(IV) ammonium nitrate (CAN)–nitric acid initiator system, and a thermoresponsive Cell-g-poly(N-isopropyl acrylamide) (PNIPAM) copolymer was obtained. The copolymer was characterized with Fourier transform infrared spectroscopy, X-ray diffraction, and scanning electron microscopy/electron-dispersive spectrometry analysis. The lower critical solution temperature (LCST) of the copolymer was determined by differential scanning calorimetry technique. The swelling capacities and water retention values were determined in distilled water in the temperature range from 10 to 50°C. The adsorption experiments were performed by a solid-phase extraction technique. Sodium dodecyl benzene sulfonate (SDBS) was used as an extractant, and Cu(II) ion was complexed with SDBS before the adsorption process. Then, the adsorption of the Cu(II)–SDBS complexes onto Cell-g-PNIPAM copolymers through hydrophobic interaction was performed at higher temperatures than the LCST of the copolymer. The adsorption capacity (Q) was dependent on the initial pH of the metal-ion solution, and Q decreased at lower pHs. The maximum sorption capacity of the copolymer for the Cu(II) ion was 1.18 mmol/g, and a high amount of sorption equilibrium was attained in 10 h. We found that the adsorption kinetics followed a pseudo-second-order kinetic model. The adsorption experiments showed that the adsorption was S-type according to the Giles classification system. It was also determined that the thermoresponsive Cell copolymer could be used for the removal of Cu(II) ions as an environmentally friendly sorbent. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 130: 4440–4448, 2013
Reducing Air Pollutant Emissions from Burning Incense with the Addition of Calcium Carbonate

A laboratory-scale study was performed to quantify the pollutant reduction effects from burning incense with the addition of CaCO3. Many studies have investigated the effects of burning incense on the quality of surrounding air, focusing primarily on particulate matter (PM) and polycyclic aromatic hydrocarbons (PAHs). However, the reduction of PM and PAHs from burning incense has received little attention. In our past study, we investigated nine types of commercially available incense and found that incense with a higher CaCO3 content had lower PM and PAH emissions factors. Five to thirty percent of CaCO3 was added to Liao and Chen incense powder, which are popular incense materials. The experimental results indicate that the reductions in the emissions of PM and PAHs from burning incense increased with along with amount of CaCO3 additive. Mean PM reductions for 5.0%, 10.0%, 20.0%, and 30.0% CaCO3 were 11 ± 2%, 15 ± 3%, 27 ± 1%, and 41 ± 3%, respectively. Mean particle-phase PAHs (P-PAHs) reductions were 9 ± 9%, 15 ± 5%, 22 ± 1%, and 28 ± 1%, respectively, and 5 ± 6%, 21 ± 1%, 21 ± 3%, and 30 ± 2% for total benzo[a]pyrene equivalent concentration (total BaPeq), respectively. This study was performed to quantify the reduction of PM and PAH emissions from burning incense with increasing amounts of CaCO3. The findings of this study may serve as a guide to producing safer and less-polluting incense.
Effect of chewing gum afar cesarean section on restoration of gastrointestinal function

Objective To investigate the effect of chewing gum after cesarean section on restoration of gastrointestinal function.Methods 300 patients who had undergone low cesarean section in our hosplta|were randomlv divided into observation group(150 cases)and control group(150 eases). The former received sugarfree chewing gum 4 times per day(2～4 pieces each time)from 2h to 3d after cesarean section and the latter received routine nursing care. Gastrointestinal function of the two groups Was observed.Results Earlier alleviation of abdominal distension.as well as resume of bowelsound，anal exhaust and defecation was found in the observation group compared to the control group(P<0.05). Conclusions Chewing gum can promote restoration of gastrointestinal function and thus benefits rehabilitation of patients after cesarean section. Key words: Chewing gum; Cesarean section; Gastrointestinal function
Liquid Crystal Alignment Behaviors of Polystyrene Derivatives Containing Coumarin Moieties

We synthesized a series of polystyrene derivatives containing coumarin side groups, poly(7-(4-vinylbenzyloxy)coumarin) (P7COU#) and poly(7-(4-vinylbenzyloxy)4-phenylcoumarin) (P7COU4P#), where # is the molar content of 7-hydroxycoumarin and 7-hydroxy-4-phenyl coumarin, respectively, using polymer analogous reaction, in order to study the effect of the 7-hydroxycoumarin and 7-hydroxy-4-phenyl coumarin side groups on the liquid crystal (LC) alignment properties. The LC alignment behavior of these two series was investigated by photoalignment or rubbing alignment. The LC cells made from photoirradiated P7COU# and P7COU4P# films showed homogeneous planar LC alignment. We found that LC aligning ability of the LC cells made from rubbed P7COU# and P7COU4P# films were affected by the structure and molar content of coumarin side groups. For example, anchoring energy of the LC cell fabricated with rubbed P7COU82 (7 × 10−5 J/m2) and P7COU4P81 (7 × 10−7 J/m2) film was increased drastically and slightly compared to polystyrene (10−7−10−8 J/m2), respectively. Particularly, anchoring energy of the LC cell made from rubbed P7COU# having more than 51 mol % of the 7-hydroxycoumarin as a side groups is comparable to that of the conventional polyimide in the LCD industry.
ESTIMATION OF GENETIC PARAMETERS FOR YIELD AND YIELD COMPONENTS AND SOME AGRONOMIC CHARACTERS IN TWO CROSSES OF BREAD WHEAT (Tritium aestivum L.)

Three cultivars of bread wheat; Sakha 69, Sakha 93 and Sakha 94 were crossed in all six generations. P 1 , P 2 , F 1 , F 2 , BC 1 and BC 2 were obtained for two crosses;(Sakha 69 × Sakha 93) and (Sakha 93 × Sakha 94) to determine genetic parameters for number of days to heading and maturity, plant height, number of spikes per plant, number of kernels per spike, 100-kernel weight and grain yield per plant. The experiment was conducted at Sakha Agricultural Research Station during the growing seasons 2005/06, 2006/07 and 2007/08. Data revealed the presence of highly significant differences among crosses, among populations within crosses as well as among populations within each cross for all studied characters. The calculated values of A, B and C scaling tests for all studied characters in the two crosses were significant except for plant height in the second cross. The additive effect was more important and greater than the dominance effect for 100- kernels weight and grain yield per plant for the two crosses, while the dominance effect was more important and greater than the additive effect for days to heading and maturity for the two crosses and also for numbe r of spikes per plant in the first cross. Heritability in broad and narrow sense indicated the importance of the non-additive variance components in the inheritance of the all studied characters except 100-kernel weight in the first cross. Heritability estimates in narrow sense were low to moderate for all the studied traits in the two crosses, ranged from 22.88% for grain yield per plant in the second cross to 69.10% for 100 kernels weight in the first cross. The expected genetic advance estimates in the F 2 were low for number of days to heading, number of days to maturity, number of spikes per plant and 100-kernel weight in two crosses. The same trend were found for, plant height, number of kernels per spike and grain yield per plant in the second cross. While, indicated high for plant height, number of kernels per spike and grain yield per plant in the first cross.
Conformational analysis of diribosylribitol phosphate by NMR spectroscopy and molecular dynamics

The conformation of diribosylribitol phosphate was studied by means of NMR spectroscopy and molecular dynamics (MD). Starting from 3J(1H,1H), 3J(31P,1H) and 3J(31P,13C) couplings, measured from 1H NMR, 13C NMR and COSY spectra, the conformations of the ribose residues and the phosphate linkage were determined. The measurement of nuclear Overhauser enhancements (NOE) from NOESY and NOEDIFF experiments allowed the determination of constraints around the glycosidic bonds. The results of the simulation by MD (GROMOS) in water at 300 K during 2 ns agree in general with those obtained by NMR and suggest a high degree of conformational freedom. Copyright © 2000 John Wiley & Sons, Ltd.
Supporting Information to : Experimental evidence for efficient hydroxyl radical regeneration in isoprene oxidation

Experiments were performed in the atmosphere simulation chamber SAPHIR in Jülich, Germany. A description of the chamber and its properties can be found elsewhere1–3. The chamber offers the possibility to investigate chemical processes under near-natural atmospheric conditions. It uses solar radiation as a light source, allows experiments at radicaland trace gas concentrations that are typically found in clean to polluted tropospheric air, and is operated at nearly ambient temperature and pressure. SAPHIR consists of a double-wall Teflon (FEP) film of cylindrical shape (length 18 m, diameter 5 m, volume 270 m). The chamber has a roof that can be closed for weather protection, or to keep the chamber in the dark. The Teflon film has a high optical transmittance over the entire solar spectrum2. Slight overpressure prevents leakages of outside air into the chamber. Air which is removed during the experiments by air-sampling instruments, or which is lost by small leaks, is continuously replenished with zero air leading to a dilution rate of approximately 5%̇ per hour. The dilution rate was calculated from the measured replenishment flow and was confirmed by the measured concentration of an inert tracer (CO2). A fan, which was continuously operated during all experiments, ensured a short mixing time of approximately 1 min. Radical and trace gas concentrations, OH reactivity (k(OH)), and photolysis frequencies were measured by instruments listed in Table S1. OH reactivity denotes the pseudo first-order loss rate coefficient of OH (inverse chemical lifetime).
Extending the diffuse layer model of surface acidity behaviour: III. Estimating bound site activity coefficients

Abstract Although detailed thermodynamic analyses of the 2-pK diffuse layer surface complexation model generally specify bound site activity coefficients for the purpose of accounting for those non-ideal excess free energies contributing to bound site electrochemical potentials, in application these terms are ignored based on one or more of the following assumptions: (1) bound site activity coefficients cancel out in the mass action quotients; (2) bound sites display ideal behaviour; and/or (3) these energies are already included in the exponential Boltzmann terms. In this work it is demonstrated that the bound site charging energy terms discussed in the two previous papers in this series have both conceptual and computational analogies to the charging energy contribution to the activity coefficients obtained from the Debye–Huckel Limiting Law. On high charge density colloidal particles at constant counterion condensation (τ), these charging energies can be related to the surface potential (ψ) by: ΔGcharging = (1 – τ)Fψ (where F is the Faraday constant). If one assumes a maximum practical accuracy of ± 10% in experimental estimates of ψ, then it is suggested that charging energies are likely to be experimentally indiscernible under conditions where τ > 0.9. These findings support the historical practice of ignoring bound site activity coefficients with the 2-pK diffuse layer surface complexation model in the following situations: for spherical particles with a radius ≥ 0.1 μm at ionic strengths ≥ 0.001 M (1 : 1), and for spherical particles with a radius >0.01 μm at an ionic strength >0.1 M (1 : 1). In contrast, charging energies (and non-ideal behaviour) are predicted to be significant at all charge densities and ionic strengths for spherical particles with a radius of 0.001 μm.
Silyl Triflate-Mediated Ring-Closure and Rearrangement in the Synthesis of Potential Bisfuran-Containing Intermediates of Aflatoxin Biosynthesis

The biosynthetic pathway to the potent mycotoxin aflatoxin B1 is unusually long and complex, proceeding from anthraquinone to xanthone to coumarin nuclear types bearing fused tetrahydro- and bisdihydrofuran rings. A synthetic strategy is described involving two silyl triflate-mediated cyclization and rearrangement processes that have enabled both furofuran oxidation states to be readily achieved and undesired but thermodynamically favorable side reactions to be avoided in the preparation of these ring systems. In the first an o-methoxymethyl phenylacetaldehyde is cyclized directly to the five-membered, differentially protected hemiacetal, while in the second this group, appropriately substituted, can be rearranged to a 4-trialkylsilyloxy-2,5-methano-1,3-benzodioxepane. The latter masked dialdehyde is sufficiently stable to strong base, mild acid, and oxidants to allow all needed aryl ring systems to be constructed. Using these methods, total syntheses of (±)-versicolorin B, (±)-versicolorin A, its hemiace.
Solvent-Free Methods for Making Acetals Derived from Glycerol and Furfural and Their Use as a Biodiesel Fuel Component

The increased production of biodiesel has resulted in the overproduction of glycerol. Many researchers have begun investigating new uses for glycerol, including its conversion to fuel additives. In this paper, glycerol has been reacted with furfural to yield the corresponding acetal. This condensation reaction is carried out under neat conditions with 5-fold excess of furfural, and a number of homogeneous Lewis acids and heterogeneous solid acids as catalysts. Reactions are routinely carried out at 100 °C, allowing for yields up to 90%. The addition of a dry stream of nitrogen gas purging the headspace was found to improve yields and allowed for a reduction in the excess amount of furfural. These reaction methods are applicable to crude glycerol, affording up to 80% yield with short reaction times. The isolated acetal products can be hydrogenated, and the free hydroxyl group can subsequently be acetylated. The resulting materials have been investigated as additives to biodiesel, aiming to improve the low .
2‐Naphthol: A simple example of proton transfer effected by water structure

Using picosecond spectroscopic techniques, the proton transfer process of 2‐naphthol in its first excited singlet state is investigated in water/methanol mixtures at different temperatures. The proton transfer rate is found to increase as the temperature increases, and to decrease as the methanol concentration increases. A Markov random walk theory previously used to electron transfer kinetics is employed to analyze the data. By this method, a water cluster containing 4±1 members is shown to be the proton acceptor. Suggestively, a ‘‘four‐cluster’’ structure (H9O4)+ has been hypothesized as the most probable hydrating unit for the proton in acid–base equilibria, charge transfer, and other chemical systems. The observed activation energy of 3.45 kcal/mol in pure water is attributed to the energy required for rearrangement of the hydrogen bonding in the normal water structure to form the proton accepting cluster. Proton transfer kinetics thus exactly parallels electron transfer kinetics in aqueous media. The.
"One-pot" synthesis of 5-(Hydroxymethyl)furfural from carbohydrates using tin-Beta zeolite

Conversion of carbohydrates to 5-(hydroxymethyl)furfural (HMF) may provide a step forward toward achieving a renewable biomass-based chemicals and fuels platform. Recently, we reported that a tin-containing, high-silica molecular sieve with the zeolite beta topology (Sn-Beta) can efficiently catalyze the isomerization of glucose to fructose in aqueous media at low pH. Herein, we describe the combination of Sn-Beta with acid catalysts in a one vessel, biphasic reactor system to synthesize HMF from carbohydrates such as glucose, cellobiose, and starch with high efficiency. HMF selectivities over 70% were obtained using this “one-pot” biphasic water/tetrahydrofuran (THF) reactor system. The key to successfully achieving the conversions/selectivities reported is that Sn-Beta is able to convert glucose to fructose at pH near 1 and in saturated aqueous salt solutions.
Changes in an Alfisol under long‐term application of manure and inorganic fertilizer

Abstract. Changes in surface soil properties of a savanna Alfisol under cultivation with applications of manure and inorganic NPK fertilizer were evaluated after 45 years of annual cropping. Soils from treatments with fertilizer only, fertilizer in combination with farmyard manure (FYM) at both high and low rates were compared to soil from a control receiving neither fertilizer nor manure. The high rate of FYM and fertilizer significantly improved soil aggregation, increased C, N and P status, while reducing soil penetration resistance. The results showed that there is a need to use both manure and inorganic fertilizer to maintain soil fertility in savanna soils under continuous cultivation.
Multi-Dimensional Column Chromatographic Method with UV Detection, for the Determination of Propranolol at Therapeutic Levels in HumanPlasma

A simple and rapid HPLC assay method for the estimation of propranolol (InderalR) in human plasma was developed and validated. The method totally eliminates the extraction procedure; sample clean-up was achieved by on-line solid-phase extraction. The separation was achieved with μBondapack 10 μm C18 column (octadecylsilane, 30 cm×3.9 mm). The mobile phase consisted of a mixture of water, methanol, acetonitrile, acetic acid and triethylamine in the proportion of 160 ml: 80 ml: 70 ml: 2.5 ml: 125 μl, respectively. The pH was adjusted to 3.4 using 1 N NaOH before the addition of triethylamine. The mobile phase was filtered (0.2 μm filter) and degasified in a ultrasonic bath. The mobile phase flow rate was 0.5 ml/min. Detection was by UV detector at 291 nm and the retention time (RT) observed at around 8 minutes. The recovery of the drug from plasma was assessed by comparing the peak height of the extracted plasma samples with the peak height of authentic (un-extracted) standards which were directly injected (i.e. without column switching) into the analytical column at these concentration levels. The recovery values showed differences lower than 4.0% between the added amount and the founded amount, and were independent of the concentration. The response was linear over a range of 20-100 ng/ml with a limit of detection of 1 ng/ml and limit of quantification at 8 ng/ml plasma. This limit of quantification is adequate for clinical analysis and pharmacotherapeutic studies and comparable to those values obtained by other workers. The same method was used for the bioavailability study of propranolol formulation in healthy, human and male volunteers.
Diffraction by a one-dimensionally disordered crystal. I. The intensity equation

other two chelate rings are arranged in the crystal in such a manner as to prevent the existence of a similar lattice wave or mode. The reproducibility of the diffuse patterns with temperature cycling together with the packing arrangement suggest the interpretation that the large anisotropic temperature parameters arise from the thermal motion rather than a slight disorder in the molecular packing is correct.