Miracle-dz/UniFAR-FTUs huggingface dataset:
Evaluation of oxalate/oxalic acid for extracting plant available phosphorus in unfertilized acid soils

The extractability of phosphorus (P) was studied in an acid, unfertilized soil at an abandoned farm and in 40 different soils from former agricultural fields and pastures. Oxalate/Oxalic acid extraction was compared with a number of other methods in order to evaluate the suitability of oxalate/oxalic acid as a method for extracting P from soil. The extracting efficiency and a rough estimate of the origin of the extracted P was also investigated. Total and molybdate reactive P extracted with weak (1 mM), acid (9.35 mM, pH 2.3), and strong (50 mM) oxalate correlated well with Na2SO4 + NaF, Olsen P, and Bray 1 extractable P (0.96 > r > 0.77). Total and molybdate reactive P fractions determined by different oxalate methods were also closely correlated (0.99 > r > 0.84). Only total organic P did not correlate with the other P fractions extracted. However, the large strong oxal extractable P fraction was correlated to many of the weaker extractable fractions. A large share of this fraction is probably organic. The Na2SO4 + NaF extraction, Olsen P, and Bray 1 were also closely correlated. The more loosely adsorbed fractions are possibly replenished to some extent when the soluble phosphate is consumed by plant uptake. A large share of total P extracted with acid (9.35 mM) and strong (50 mM) oxal was organic. The molybdate reactive fraction, however, was fairly constant up to 9.35 mM oxalate in the solution, neither depending on solution concentration nor on pH. Total P extracted with oxalate was related to the logarithm of the extractant concentration. The advantage of the oxal method is that the pH can be adjusted to fit a desired soil pH, and both extractant concentration and analytical method could be chosen to determine either loosely bound P or a substantial amount of total P that might be potentially available.
Determination of intrinsic complexation parameters for Cu2+ and a soil fulvic acid by ion selective electrode

Abstract In the present work, the Cu2+-soil fulvic acid intrinsic complexation parameters (stability constants and complexation capacities) have been derived, using the master curve approach. The experimental technique was the potentiometry with an ISE for Cu2+ ions. The charge–pCu data derived from the experimental titration curves were transformed into charge–surface pCu (pCu=–log[Cu2+]) using a spherical double layer model, in order to obtain the intrinsic complexation constants. For this transformation, geometric parameters of the fulvic acid are needed. Several models have been applied that try to differenciate between heterogeneity and electrostatic effect, two main features of humic substances.
Nonresonant dielectric hole burning spectroscopy of supercooled liquids

The nonexponential response of propylene carbonate and glycerol near their glass transitions could be selectively altered using nonresonant spectral hole burning (NSHB) experiments. This observation provides evidence of the existence of a distribution of relaxation times in these supercooled liquids. NSHB is based on a pump, wait, and probe scheme and uses low-frequency large amplitude electrical fields to modify the dielectric relaxation. The temporal evolution of the polarization of the sample is then measured subsequent to a small voltage step. By variation of a recovery time inserted between pump and probe, the refilling of the spectral features could be monitored and was found to take place on the time scale set by the peak in the distribution. The recovery time and pump frequency dependences of the spectral modifications were successfully simulated using a set of coupled rate equations.
Quantum interference and asymptotic interactions in the photodissociation of SH: Total cross section and branching ratios

A theoretical analysis is presented for the photodissociation processes of SH to S(3P) and S(1D). Transition dipole moments from the ground X 2Π state to the A 2Σ+, 2Σ−, 2Δ, 2 2Π states are computed by the effective valence shell Hamiltonian method. Two frame transformation matrices are constructed and used to describe the correlations between the two sulfur atomic terms [S(3P) and S(1D)] and the adiabatic Born–Oppenheimer molecular states. Very interesting dynamics of quantum interference effects and asymptotic interactions are found. At energies between the thresholds to the S(3P) and S(1D) limits, the resonances are mostly Lorentzian with more or less constant S(3Pj,j=0,1,2) branching ratios. The effects of the intrastate interactions between the repulsive states are predicted to be very strong. At energies above the threshold to S(1D) limit, quantum interferences between the dissociative pathways through the optically bright repulsive states (A 2Σ+, 2Σ−, 2Δ, and 2 2Π states) are predicted to give asym.
The influence of social determinants on retirement savings in Poland

Both individuals and entire households save for various reasons. Many factors determine saving for a particular purpose. The article presents social determinants which have an effect on retirement savings. The authors draw on the results of the Social Diagnosis of 2015 – a panel-based study conducted annually by the Council for Social Monitoring since the year 2000. In 2015, the study covered 11,740 households within the whole area of Poland. The study subjects were individuals acting as heads of their households and making key financial decisions concerning the members. A logistic regression model was used to determine the social and demographic characteristics of household heads who make decisions concerning retirement savings. The results of logistic regression have shown that gender, years of education, religiosity, marital status, whole life satisfaction as well as political and economic views have a significant impact on the decision-making process of saving for old age. #0#
Shear-driven droplet coalescence and rivulet formation

Icing on aerodynamic surfaces occurs due to the accumulation of rain droplets when the surrounding temperature is below the freezing temperature. It is well known that icing phenomenon alters the aircraft aerodynamic forces and may cause serious damage. Therefore, studying water droplet behavior, such as shedding and coalescence serves as the primary step which can lead to understanding the fundamental physics of aircraft icing. Hence, in this study an experimental approach is used to investigate the shear-driven droplet shedding and coalescence on a hydrophilic substrate which can serve as the building block for the formation of rivulets.
Solar Cell Temperature Dependent Efficiency and Very High Temperature Efficiency Limits

Wilcox, John R. , Purdue University, Ph.D., Purdue University, December 2013. Solar Cell Temperature Dependent Efficiency and Very High Temperature Efficiency Limits. Major Professor: Jeffery Gray. Clean renewable solar energy is and will continue to be a critically important source of electrical energy. Solar energy has the potential of meeting all of the world’s energy needs, and has seen substantial growth in recent years. Solar cells can convert sun light directly into electrical energy, and much progress has been made in making them less expensive and more efficient. Solar cells are often characterized and modeled at 25 °C, which is significantly lower than their peak operating temperature. In some thermal concentrating systems, solar cells operate above 300 °C. Since increasing the temperature drastically affects the terminal characteristics, it is important to quantify the losses caused by raising the temperature. Methodologies for including the temperature dependent material parameters in analytical and detailed numerical models have been examined. The analytical model has been developed to analyze Shockley-Queisser detailed balance limit, as well as the Auger, Radiative and SHR recombination limiting cases from 25 °C to 800 °C, at 1x, 500x and 2000x suns concentrations. The results of this analysis show that the efficiency of a direct bandgap material with an optimal bandgap could reach 19 % at 400 °C and 2000x suns, if the SHR recombination is reduced to an acceptable level. An analytical solar cell model was also used in a quasi3D numerical model to simulate the temperature dependent resistivity losses. It was found that the resistive losses can double when the temperature of a solar cell increases from 25 °C to 100 °C. This will cause the conversion efficiency temperature coefficient to deteriorate by 10%. By using the temperature dependent material parameters for Si in
Atomic-Absorption Spectroscopy—A Critical Review

Atomic-absorption spectroscopy is reviewed as an analytical technique. The effect of recent instrumental advances on analytical procedures is reported. It is now possible to determine every metal and semimetal for which lamps have been made. Analytical procedures by atomic absorption are generalized and limitations of the technique stated. The various instrumental techniques for metal analysis are compared to show for what purposes atomic absorption is useful. Applications in various analytical fields are mentioned briefly.
Oxygen Plasma Exfoliated Vertically-Aligned Carbon Nanotubes as Electrodes for Ultrasensitive Stripping Detection of Pb2+

In the present paper we report the production of vertically aligned carbon nanotubes exfoliated (at the tips) by oxygen plasma forelectrochemical applications. The fast and dry process produces graphene oxide tips and oxygen functionalization. The electrodesare evaluated by cyclic voltametry by ferri/ferrocyanide redox couple and applied for electrochemical detection of lead (II) bydifferential pulsed anodic stripping voltammetry. The electrode presents high sensitivity (35.47 uA.uM
Kinetic Study of High-Temperature Removal of H2S by Novel Metal Oxide Sorbents

The behavior of different mixed oxides, including zinc titanates (ZT) and zinc ferrites modified with CuO (ZFC) or TiO2 (ZFT), as hot gas desulfurizing sorbents was investigated. The sorbents were prepared by calcination at 650 °C of a mixture of bulk oxides in three different stoichiometries in order to form new phases and modify their textural properties. Tests of stability against reduction were obtained by thermoprogrammed reduction, and kinetic studies of the sulfidation reaction were carried out in a thermobalance in the temperature range of 550−650 °C. Kinetic parameters of the intrinsic reaction were obtained assuming a grain model. The sulfidation behavior of the sorbents as extrudates was investigated in a fixed-bed reactor in terms of breakthrough curves. Fresh and sulfided samples were characterized by Hg porosimetry, X-ray diffraction, and SEM-EDX. The study shows that the addition of TiO2 or CuO to zinc ferrite based sorbents calcined at 650 °C has little effect on the stability against redu.
Lead-lag relationship between macroeconomic variables and stock market: evidence from Korea

This study attempts to investigate whether share price index, specifically KOSPI of Korean Exchange, can be considered as a mirror or reflection of economic activities in Korea. The purpose is to make a finer point with respect to the relationship between economic growth and stock market especially in terms of stock prices. The present study proceeds with a single point investigative agenda as to what is the relationship between the health of the real economy and the health of the stock market? Does a rally in share prices reflect better health of the economy or it is the pink economic health that causes share prices to change? We have examined the causal relationships between the share price index and other crucial macroeconomic variables namely money supply, exchange rate, consumer price index, and money market rate for the reason of right and robust model specification. The standard time series techniques have been employed. The present study reports causality running from economic growth to share price index and not the other way round. It may therefore be stated that the stock markets in Korea are demand driven and industry led which means that demand for greater equity finance is led by higher and improved economic performance. That is, the state of the economy has a bearing on the share prices but the health of the stock market in the sense of a rising share price index is not reflective of an improvement in the health of the economy. In other words, a Bull Run or rising prices in the stock market cannot be taken to be a leading indicator of the revival of the economy in Korea.
EXPERIMENTALLY DESIGNED, VALIDATED HPLC SIMULTANEOUS DETERMINATION OF PRIDINOL AND DICLOFENAC IN THEIR COMBINED PHARMACEUTICAL FORMULATIONS, WHICH ALLOWS LIMITING DICLOFENAC RELATED COMPOUND A

The development and validation of an HPLC method for the determination of pridinol and diclofenac in their combined formulations and the simultaneous limit testing of diclofenac related compound A is described. The separation was performed on a C18 column. Experimental design and response surface strategies were employed for optimizing detection wavelength (225 nm) and mobile phase composition [MeOH:2-propanol:phosphate buffer (50 mM, pH 5.5), 48:9:43 (v/v/v), 1 mL min−1], and for validation purposes. The method was successfully applied to the quality control of commercial brands of tablets and capsules. Found impurity levels were below 0.1% (LOQ = 0.02%). Stressed samples were also evaluated.
First-principles-based modelling of improper ferroelectricity

This thesis investigates critical properties, topological defects and thin films in the hexagonal manganite family using a combination of first-principles calculations and effective models. The structure of the hexagonal manganites h-RMnO3 (R=In,Y,TbYb) consist of layers of manganese atoms trigonally bipyramidally coordinated by oxygen atoms, separated by layers of A-site atoms (R). The hexagonal manganites are improper ferroelectrics, and at around 1200 K (depending on the A site cation) the material goes through a second order phase transition where the manganese-oxygen layers tilt in trimers, while at the same time we observe an up-up-down movement of the A-site atoms. This primary distortion is non-polar, but induces a secondary, polar distortion consisting of an upward or downward shift of the A-site layer towards the manganese-oxygen layer. Much of the interesting physics in these compounds stems from the special mexican-hat-like energy landscape of these distortions, which leads for example to the formation of system-spanning ferroelectric vortices and the formation of conducting domain walls. In first chapters of this thesis I investigate the critical behaviour of the material using fluctuation corrections to the Landau free energy and perform a quantititative analysis of the topological defect formation accross the hexagonal manganite series. Previous work suggested that the formation of topological defects should be described the Kibble-Zurek mechanism, a universal scaling law. I perform a detailed study of the Kibble-Zurek mechanism accross the hexagonal manganite series to test the quantitive predictive power of the mechanism, and explain its observed breakdown at the phase transition, which is most likely due to a change in critical exponents. In order to settle an ongoing debate on anomalies measured in specific heat and the evolution of the lattice parameters across the series, my experimental collaborators and I study the microscopic structural evolution across the phase transition, and are able to link the measured anomalies to the strong order-disorder character of the phase transition, which we show to be of a special continuous type, in which the material disorders between all states in the brim of the mexican hat. Next I discuss the manifestion of the Higgs mechanism in these materials. The mexican-hat free-energy landscape that arises due to the breaking of a continuous symmetry in the primary distortion at the phase transition, suggests the existence of Higgs and Goldstone bosons in the exitation spectrum. I investigate the role of
Constraint Programming Based Robust Sensor Network Design

The optimal placement of sensors based on different criteria, namely, precision, reliability, cost, fault unobservability has received considerable attention in literature. Most of the sensor location problems proposed in the literature have been solved either using graph theoretic approaches or the geometry based mathematical programming techniques. However, these techniques have not been able to satisfactorily address the issues of determination of global optima and the determination of all multiple globally optimal solutions despite using a large number of additional discrete variables. In this article, we show the suitability of Constraint Programming (CP), an intelligent enumeration based technique, to solve such combinatorial sensor network problems. The power of CP to efficiently model a problem with fewer variables and the ease of determination of all multiple global optima makes it highly suitable for sensor location problems. To demonstrate the expressive modeling power of CP, we have presented .
Determination of Sesamin and Sesamolin in Sesame(Sesamum indicum L.) Seeds Using UV Spectrophotometer and HPLC

Sesamin and sesamolin, antioxidant lipid-soluble lignan compounds, are abundant in sesame (Sesamum indicum L.) seed oil and provide oxidative stability of oil related to sesame quality. The sesamin and sesamolin contents of 403 sesame land races of Korea were determined by HPLC analysis of methanol extract (HPLC value), and their total lignan content was compared with those by using UV-Vis spectrophotometric analysis (UV method) of methanol (UV-MeOH value) and hexane (UV-Hexane value) extracts. HPLC values of total lignan content were strongly associated with UV-Hexane (r=0.705**) and UV-MeOH (r=0.811**) values. The UV values from both the extracts were 3.8-4.7 times higher than those of HPLC values. Lignan content was overestimated by UV method because total compounds in the mixture solution were quantified by absorbing at the same ultraviolet wavelength as in HPLC method. UV method could more rapidly analyze small amount of sample with higher sensitivity of detection than HPLC method. Average contents of lignans in sesame germ plasm evaluated in this study were 2.09±1.02 ㎎/g of sesamin, and 1.65±0.61 ㎎/g of sesamolin, respectively, showing significant variation for lignan components. The results showed that UV method for the determination of sesamin and sesamolin could be practically used as a faster and easier method than HPLC by using the regression equations developed in this study.
High mobility In2O3:H transparent conductive oxides prepared by atomic layer deposition and solid phase crystallization

The preparation of high‐quality In2O3:H, as transparent conductive oxide (TCO), is demonstrated at low temperatures. Amorphous In2O3:H films were deposited by atomic layer deposition at 100 °C, after which they underwent solid phase crystallization by a short anneal at 200 °C. TEM analysis has shown that this approach can yield films with a lateral grain size of a few hundred nm, resulting in electron mobility values as high as 138 cm2/V s at a device‐relevant carrier density of 1.8 × 1020 cm–3. Due to the extremely high electron mobility, the crystallized films simultaneously exhibit a very low resistivity (0.27 mΩ cm) and a negligible free carrier absorption. In conjunction with the low temperature processing, this renders these films ideal candidates for front TCO layers in for example silicon heterojunction solar cells and other sensitive optoelectronic applications. (© 2014 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)
MOLECULAR MECHANICS CALCULATIONS OF TRANSITION-METAL COMPLEXES

A molecular mechanics force field appropriate for the modeling of Cu(II), Ni(II) (S = 1), Co(III), Fe(III), Cr(III), Zn(II), and Rh(III) complexes with amine, carboxylate, pyridine, and thia ether ligands is presented in its entirety. The parameters comprising the force field were determined by matching a large number of strain-minimized structures with their corresponding crystal structures. Within the force field, the only parameters that were altered from one system to another were the strain-free bond length and the force constant of the metal-ligand bond. The calculations indicate that some corrections for electronic effects have to be applied in order to obtain a consistent force field.
First Reliable Re–Os Ages of Pyrite and Stable Isotope Compositions of Fe(‐Cu) Deposits in the Hami Region, Eastern Tianshan Orogenic Belt, NW China

The Eastern Tianshan Orogenic Belt (ETOB) in NW China is composed of the Dananhu–Tousuquan arc belt, the Kanggurtag belt, the Aqishan–Yamansu belt and the Central Tianshan belt from north to south. These tectonic belts have formed through arc–continent or arc–arc collisions during the Paleozoic. A number of Fe(‐Cu) deposits in the Aqishan–Yamansu belt, including the Heifengshan, Shuangfengshan and Shaquanzi Fe(‐Cu) deposits, are associated with Carboniferous–Early Permian volcanic rocks and are composed of vein‐type magnetite ores. Metallic minerals are dominated by magnetite and pyrite, with minor chalcopyrite. Calcite, chlorite, and epidote are the dominant gangue minerals. Pyrite separates of ores from those three deposits have relatively high and variable Re contents ranging from 3.7 to 184 ppb. All pyrite separates have very low common Os, allowing us calculation of single mineral model ages for each sample. Pyrite separates from the Heifengshan Fe deposit have an 187Re–187Os isochron age of 310 ± 23 Ma (MSWD = 0.04) and a weighted mean model age of 302 ± 5 Ma (MSWD = 0.17). Those from the Shuangfengshan Fe deposit have an isochron age of 295 ± 7 Ma (MSWD = 0.28) and a weighted mean model age of 292 ± 5 Ma (MSWD = 0.33). The Shaquanzi Fe‐Cu deposit has pyrite with an isochron age of 295 ± 7 Ma (MSWD = 0.26) and a weighted mean model age of 295 ± 6 Ma (MSWD = 0.23). Pyrite separates from these Fe(‐Cu) deposits have δ34SCDT ranging from −0.41‰ to 4.7‰ except for two outliers. Calcite from the Heifengshan Fe deposit and Shaquanzi Fe‐Cu deposit have similar C and O isotope compositions with δ13CPDB and δ18OSMOW ranging from −5.5‰ to −1.0‰ and from 10‰ to 12.7‰, respectively. These stable isotopic data suggest that S, C, and O are magmatic‐hydrothermal in origin. The association of low‐Ti magnetite and Fe/Cu‐sulfides resembles those of Iron–Oxide–Copper–Gold (IOCG) deposits elsewhere. Our reliable Re–Os ages of pyrite suggest that the Fe(‐Cu) deposits in the Aqishan–Yamansu belt formed at ∼296 Ma, probably in a back‐arc extensional environment.
Novel environmentally benign procedure for the synthesis of 2‐aryl‐ and 2‐hetaryl‐4(3H)‐quinazolinones

A novel environmentally benign procedure for the synthesis of 2-aryl- or 2-hetaryl-4(3H)-quinazolinones by condensation of anthranilamide with various aromatic aldehydes in polyethylene glycol under microwave irradiation has been developed. In contrast with other reported methods, this procedure provides the corresponding quinazolinones with good to high yields and purity, in very short reaction times and without the use of an oxidant.