Miracle-dz/UniFAR-FTUs huggingface dataset:
Effects of Hydrogen Bonding and van der Waals Interactions on Organogelation Using Designed Low-Molecular-Weight Gelators and Gel Formation at Room Temperature

We synthesized novel l-lysine-based compounds that were classified into three groups, urea−urea types (1−3), amide−urea types (4−6), and amide−amide type (7), and examined the effects of hydrogen bonding and van der Waals interactions on the organogelation behavior. Among these compounds, gelator 5 has the best organogelation ability. Moreover, the organogelation can be achieved at room temperature through the direct synthesis of gelators in organic solvents.
Pedogenesis and Root Development in a Complex Geomorphologic Setting of the Faroe Islands

Abstract Studies of pedogenesis in basaltic soils within the cool, temperate zone were fairly limited. This study looked at pedogenesis and root development in Norðradalur of the Faroe Islands. To a large extent, soil physical and chemical characteristics were determined by sedimentological rather than pedological processes. Wind erosion plays an important role, and in spite of the homogeneity of the parent material, soil pedogenesis is highly varied. Soils were high in cation exchange capacity (CEC) and generally have a low base saturation, and the major soil‐forming processes were strong weathering, intensive leaching, gleying, and humification. Decomposition of the organic material was good overall. Nitrogen content was low to medium in the mineralogic horizons but high in the peaty horizons. Total phosphorus was within the range typical of soils with a high organic fraction, and previous theories explaining the low carrying capacity regarding grazing as a result of a low nutrient content do not seem to apply. Root densities were as expected for grazing areas, but there was a huge variation in the root diameters as a consequence of microclimatic differences and associated differences in vegetation.
Structure of Water at the Electrified Platinum−Water Interface: A Study by Surface-Enhanced Infrared Absorption Spectroscopy

Surface-enhanced infrared absorption spectroscopy in the attenuated total reflection mode is used to examine the structure of water on a polycrystalline Pt electrode in H2SO4 and HClO4 as a function of applied potential. The electrode surface covered with CO is used as the reference in recording spectra, which enables us to obtain the absolute infrared spectrum of the interfacial water layer (monolayer or bilayer) in contact with the surface with negligible interference from the bulk water. The spectrum of the interfacial water is largely different from that of bulk water and changes around the potential of zero charge of the electrode. The spectral changes are ascribed to the potential-dependent reorientation of water molecules from a weakly hydrogen-bonded oxygen-up orientation at the negatively charged surface to a strongly hydrogen-bonded nearly flat orientation at the positively charged surface in agreement with theoretical simulations reported in the literature. Clear experimental evidence of the fo.
Device annealing effect in organic solar cells with blends of regioregular poly(3-hexylthiophene) and soluble fullerene

Here we report enhanced efficiency bulk heterojunction organic solar cells using blend films of regioregular poly(3-hexylthiophene) (P3HT) and 1-(3-methoxycarbonyl)-propyl-1-phenyl-(6,6)C61 (PCBM) that are subjected to a thermal annealing process. Blend films (P3HT:PCBM=1:1 by weight) were prepared using chlorobenzene and 1,2-dichlorobenzene in order to investigate the role of the solvent. Irrespective of the chosen solvent, the optimal device annealing temperature was found to be 140 °C. The highest power conversion efficiency, 3% under air mass 1.5 simulated solar illumination (100mW∕cm2), was achieved by device annealing at 140 °C for 15 min using blend films prepared from chlorobenzene (2.3% for 1,2-dichlorobenzene).
Open-to-air synthesis of monodisperse CdSe nanocrystals via microfluidic reaction and its kinetics

Monodisperse zinc blende CdSe nanocrystals (NCs) ranged from 2.5 to 4.3 nm have been reproducibly synthesized directly open to air in a microfluidic reactor with PTFE capillaries acting as the reaction channels. The foregoing features led to superior operational stability, allowing the assessment of kinetic data such as temperature, dwelling time and ligand concentration. Red shifts of the absorption spectra were observed with increasing residence time and temperature. ‘Crossover time’ of size distribution was first reported in a microfluidic reactor preceded by encouraged Ostwald ripening at high reaction temperature. Oleic acid concentration influenced the formation of CdSe NCs, and high OA to Cd ratio resulted in large NCs size and decreased CdSe concentration. By systematic optimization of the parameters, CdSe NCs with FWHM for the photoluminescence peak in the range from 35 to 42 nm were thus made possible.
Income distribution and convergence: the European experience, 1870-1992

Galor identified three forms of long run percapita income convergence: absolute convergence, whereby convergence occursindependently of the initial conditions facing each economy; conditional convergence,whereby convergence occurs among economies which have identical structuralcharacteristics, independently of their initial conditions; and club convergence,whereby convergence occurs only if the structural characteristics are identical andinitial conditions are also similar.
Effect of hydrogel on the performance of aerobic rice sown under different techniques

Declining water is a great concern in production of rice, because rice is more sensitive to water deficiency which restricts normal rice growth resulting in enormous economic loss. A field experiment was conducted to study the effect of hydrogel in different sowing techniques of aerobic rice viz. flat, ridge, and bed sowing. Observations on soil moisture percentage before every irrigation, yield, and yield components of rice were recorded. Application of hydrogel improved soil moisture contents in all the three sowing techniques as compared to soil without hydrogel. More soil moisture contents met the crop water needs and increased the number of germinated seeds. As a consequence of more emergence and better stand establishment, the yield components were also improved increasing the yield of rice in hydrogel amended soil in all sowing techniques. However, sowing of rice on beds with hydrogel amendment was found the most effective; it not only improved the performance of aerobic rice but also enhanced growth and yield of aerobic rice more than other sowing techniques.
Microwave Spectroscopy of Large Molecules and Molecular Complexes

The development of Fourier transform microwave (FTMW) spectroscopy and — most notably — its combination with supersonic-jet expansion techniques allow for challenging investigations of larger and larger interesting molecular systems. Large isolated molecules studied by microwave (MW) spectroscopy include long carbon chains of astronomical interest, organic molecules containing two or more aromatic rings, small biomolecules, and transition metal complexes. Often, these systems are characterized by large-amplitude motions and multifolded conformational and tautomeric equilibria. Rotational spectra have been reported for many large molecular complexes, such as adducts of large organic and biological molecules with rare gases, water (or other small proton donors/acceptors), and oligomers and hetero adducts of large molecules. Some of these complexes have interaction energies that are in the intermediate regime between bonding and nonbonding (charge-transfer complexes), and some of them, involving chiral molecules, act as a guide to understanding molecular recognition. In addition, the rotational spectra of several carbonyl sulfide (OCS)Hen species have been measured (up to n = 39), providing useful data to model superfluidity. The potentiality of MW spectroscopy to obtain spectroscopic and chemical information on these systems is demonstrated by numerous investigations. Many interesting examples, most of them achieved in the last two decades, have been compiled here. Keywords: Fourier transform spectroscopy; supersonic expansions; long-chain molecules; astrophysical molecules; fused-ring molecules; transition metal complexes; biomolecules; molecular complexes; van der Waals complexes; molecular aggregation; molecular solvation; quantum solvation; oligomers; hydrogen bonding; noncovalent interaction; charge transfer; molecular recognition
Comparison of soil test phosphorus methods in neutral to calcareous Manitoba soils

Increasing concern for the amount of P entering lakes in Manitoba may lead to regulation of P concentration in agricultural soils. A possible means for this regulation is the use of soil test P. This may require a means of comparing soil test P analyses as various laboratories in Manitoba employ different methods of soil test P determination. Thus, the objectives of this study were to (i) compare the methods of P determination in Manitoba soils, and (ii) develop equations for converting different soil test P methods from one to another. One hundred and fifteen archived surface soil samples representing major soils of Manitoba were used for the study. Soil test P was determined in these soils using the original Kelowna (K1) method and the two modified Kelowna methods (K2 and K3). Mehlich-3, Olsen- and water extractable-P were also determined for all soils. The results were analyzed statistically and were related using a simple regression analysis model. The amount of P extracted by the different extracting.
In-Core Nuclear Fuel Management Optimization for Pressurized Water Reactors Utilizing Simulated Annealing

AbstractAn in-core nuclear fuel management code for pressurized water reactor reload design has been developed that combines the stochastic optimization technique of simulated annealing with a computationally efficient core physics model based on second-order accurate generalized perturbation theory. The approach identifies the placements of feed fuel, exposed fuel with assembly orientations, and burnable poisons within the core lattice that optimize fuel cycle performance or thermal margin according to one of the following objectives: maximization of keff at a target end-of-cycle (EOC) burnup, minimization of the maximum radial power peaking over the cycle, or maximization of region average discharge burnup, and subject to constraints on radial power peaking, discharge burnup, and moderator temperature coefficient. Each objective examined for a typical cycle 2 reload indicated the existence of multiple optimal solutions. A comparison of the loading patterns obtained for the same fuel inventory shows that.
VISCOELASTIC AND THERMAL CHARACTERISTICS OF VEGETABLE PUREE‐BASED BABY FOODS

Viscoelastic properties of three commercial vegetable puree-based baby foods (pea, corn and wax bean) were evaluated in the temperature range of 20 to 80C using dynamic oscillatory viscometry, and the thermal properties were evaluated using a standard differential scanning calorimeter (DSC) (-10 to 100C). Test samples behaved like viscoelastic fluids with consistently higher magnitudes of storage modulus (G') as compared to loss modulus (G") in an oscillatory frequency (ω) range between 0.628 and 62.800 rad/s. Both G' and G" versus ω data were well fitted by a power-type relationship at all temperatures employed in the study. However, the derived power-law parameters ofG' and G" showed no consistent trends with temperature. Both pea and wax bean purees exhibited similar viscoelastic patterns with an increase in both G' and G" at 50C, somewhat coinciding with the initiation of starch gelatinization. However, the corn puree exhibited a stronger elastic characteristic with starch gelatinization occurring around 80C. The rheological measurements were well supported by the calorimetric data from the DSC.
Chemical composition of some Ghanaian honey samples

Some honey samples from Ghana were analyzed for moisture, ash, sugar levels, nitrogen, and mineral contents. It was found that these samples contained 18.8 per cent moisture, 0.8 per cent ash, 57.0 per cent reducing sugars calculated as invert sugar and 3.0 per cent sucrose. The results compared favourably with those reported in the Codex Alimentarius, making the Ghanaian honey samples acceptable for domestic and international trade. Ghana Jnl agric. Sci. Vol.31(1) 1998: 119-121
Decomposition and encoding of finite state machines for FPGA implementation

• A submitted manuscript is the author's version of the article upon submission and before peer-review. There can be important differences between the submitted version and the official published version of record. People interested in the research are advised to contact the author for the final version of the publication, or visit the DOI to the publisher's website. • The final author version and the galley proof are versions of the publication after peer review. • The final published version features the final layout of the paper including the volume, issue and page numbers.
Pressure-induced phase transition in LaAlO3

We report on a study of pressure-dependent structural properties of LaAlO3, which is considered to be a model material of the class of `tilted' perovskites. Our high-pressure investigation by means of Raman spectroscopy and synchrotron radiation shows that LaAlO3 presents structural instabilities under pressure and undergoes a soft-mode-driven rhombohedral-to-cubic phase transition in the vicinity of 14 GPa, which can be analysed in the framework of a Landau model. The structural changes are described in terms of a collective restoring of the initially tilted AlO6 octahedra towards the ideal cubic perovskite structure without tilting. Up to 40 GPa, the pressure dependence of the volume of the pseudo-cubic phase is described by a third-order Birch-Murnaghan equation of state with parameters V0 = 54.57(4) A3, KT = 190(5) GPa and K' = 7.2(4).
Interaction of alkaline earth cations with the negatively charged phospholipid 1,2-dimyristoyl-sn-glycero-3-phosphoglycerol : A differential scanning and isothermal titration calorimetric study

The interaction of the alkaline earth cations Mg2+, Ca2+, and Sr2+ with 1,2-dimyristoyl-sn-glycero-3-phosphoglycerol (DMPG), dispersed in 0.1 M NaCl at pH 7, was investigated by differential scanning calorimetry (DSC) and isothermal titration calorimetry (ITC). Both calorimetric methods revealed that the interaction of Mg2+ and Sr2+ with DMPG is of similar nature but different from the behavior of Ca2+. In the first heating scans of DMPG:Mg2+ and DMPG:Sr2+ complexes, transition peaks at 31−35 and 60 °C are observed. The higher transition peak disappears in consecutive heating and cooling cycles and only the transition at 31−35 °C remains. The transition at lower temperature occurs from a metastable gel phase into a liquid−crystalline phase, whereas the high-temperature transition occurs from the stable quasicrystalline lamellar phase. The thermotropic behavior of DMPC:Ca2+ complexes is different. The high-temperature transition from the stable state is centered at 80 °C. Cooling induces a metastable gel p.
Distribution of Chemical Forms for Co, Cr, Ni and V in Typical Soils of China

Co, Ni, Cr and V in 25 typical soils of China were fractionated into exchangeable, carbonate bound (calcareous soils), Mn oxide bound, organically bound, amorphous Fe oxide bound, crystalline Fe oxide bound and residual forms using a seven-step sequential extraction procedure, so as to study the distribution of chemical forms of these metals as well as the effects of soil properties on the distribution. The results showed that most of soil Co, Ni, Cr and V were present in residual forms, and the distribution ratio averaged 48.2% for Co, 53.0% for Ni, 81.5% for Cr and 68.7% for V. The speciation of heavy metals was greatly influenced by soil physico-chemical properties and the chemistry of elements. The results also indicated that the recovery of metal elements by the sequential extraction procedure was satisfactory, with the relative difference between the sum of seven forms and the total content in soils averaging 9.5% for Co, 12.8% for Ni, 6.6% for Cr and 7.2% for V.
Temporal Change in Ammonium/sulfate Ratios for Free Tropospheric Aerosols from Early Winter to Spring at a High Elevation Site in the Japanese Alps

Samples of water-soluble ionic species in size-separated aerosol particles, acidic gases and ammonia were collected at Murododaira (2450 m a.s.l.) and Daikanbou (2320 m a.s.l.) near Mt. Tateyama, Japan, during the winter to spring season. The field observations consist of 2 to 14 days in November through April of 1995 to 2000. Median concentrations of the water-soluble ions in the aerosol particles and gases in the spring were about 2 to 8 times higher than those in the winter. The concentrations of NH+4, nssK+, C2O2-4 and nssF- in fine (<2. 1 μm) particles showed good correlations with nssSO2-4, suggesting that nssSO2-4 observed at Mt. Tateyama originated from anthropogenic sources. The molar ratios of NH+4 /nssSO2-4 for the fine particles at Mt. Tateyama changed from about 1 in the winter to about 2 in the spring, suggesting that atmospheric sulfate aerosols were present as ammonium bisulfate in the winter and as ammonium sulfate in the spring.
W/O emulsion realizes low smoke and efficient operation of DI engines without high pressure injection

This paper describes an experiment in which water-in-gas oil emulsified fuel is used without high pressure or high injection rate to improve engine performance parameters such as smoke, NO/sub chi/, and BSFC in a DI diesel engine. The results are compared with high pressure and high injection rate operation using gas oil.
CFD simulation of homogenisation time measured by radiotracers

where c(t,x,y,z) is the distribution of the tracer concentration in the tank volume V obtained from CFD calculations; D(x,y,z) is the transfer (weight) function of radiotracer detection and x’,y’,z’ describe position of the detector. Two ways of evaluation were suggested for D(x, y, z) function: 1) by using algorithms for collimated detectors; 2) by interpolation of values representing the detector response to a point source situated inside a tank. Numerical simulation of homogenisation time by CFD for different values of detected volume was confronted with measurement of homogenisation time by a conductivity probe and using the following radioisotopes: Au, Br and Na. A simple detection algorithm called ‘view factor’ was successfully tested in the CFD simulation of homogenisation time, which was measured with Au as a tracer. A simple simulation of homogenisation time for different radiotracers (on the basis of tracer concentration calculated by CFD for several positions in front of the collimated aperture of the detector and on the basis of PSR (Point Source Response) measurement in the same positions) was compared with tracer experiments with acceptable agreement. CFD simulation of homogenisation time measured by radiotracers Jiøí Thýn, Michal Nový, Michal Moštìk, Rudolf Žitný, Milan Jahoda
Organic dye adsorption on activated carbon derived from solid waste

Activated carbon was prepared through a chemical activation of bamboo waste precursor (BMAC) using phosphoric acid as the activating agent at 500°C for 2 h. Batch adsorption studies were carried out for the adsorption of C.I. Reactive Black 5 (RB5) onto the BMAC. The effect of various experimental parameters such as initial dye concentration (50–500 mg/L), contact time (0–32 h), pH (2–12), and temperature (30–50°C) were investigated. Equilibrium data were found to be very well represented by the Freundlich isotherm and a pseudo-second-order model was found to explain the kinetics of RB5 adsorption more effectively. The mechanism of the adsorption process was determined by the intraparticle diffusion model. Thermodynamic parameters such as standard enthalpy (ΔH°), standard entropy (ΔS°), standard free energy (ΔG°), and activation energy were determined. The results indicated that BMAC is a suitable adsorbent material for adsorption of reactive dye from aqueous solutions.
Plasmonic Resonances of Closely Coupled Gold Nanosphere Chains

The optical properties of an ordered array of gold nanospheres have been calculated using the T-matrix method in the regime where the near-fields of the particles are strongly coupled. The array consists of a one-dimensional chain of spheres of 15 nm diameter where the number of spheres in the chain and interparticle spacing is varied. Calculations have been performed with chains up to 150 particles in length and with an interparticle spacing between 0.5 and 30 nm. Incident light polarized along the axis of the chain (longitudinal) and perpendicular (transverse) to it are considered, and in the latter case for wavevectors along and perpendicular to the chain axis. For fixed chain length the longitudinal plasmon resonance red shifts, relative to the resonance of an isolated sphere, as the interparticle spacing is reduced. The shift in the plasmon resonance does not appear to follow an exponential dependence upon gap size for these extended arrays of particles. The peak shift is inversely proportional to th.
Validation of merged MSU4 and AMSU9 temperature climate records with a new 2002–2012 vertically resolved temperature record

A new database of monthly mean zonal mean (5° zones) temperature time series spanning 17 pressure levels from 300 to 7 hPa and extending from 2002 to 2012 was created by merging monthly mean time series from two satellite-based mid-infrared spectrometers (ACE-FTS and MIPAS), a microwave sounder (SMR), and from three satellite-based radio occultation experiments (GRACE, CHAMP, and TSX). The primary intended use of this new temperature data set is to validate the merging of the Microwave Sounding Unit channel 4 (MSU4), and Advanced Microwave Sounding Unit channel 9 (AMSU9) temperature time series conducted in previous studies. The six source data sets were merged by removing offsets and trends between the different measurement series. Weighted means were calculated of the six source data sets where the weights were a function of the uncertainty on the original monthly mean data. This new temperature data set of the upper troposphere and stratosphere has been validated by comparing it to RATPAC-A, COSMIC radio occultation data as well as the NCEPCFSR reanalyses. Differences in all three cases were typically < 2 K in the upper troposphere and lower stratosphere, but could reach up to 5 K in the mid-stratosphere. The data across the 17 pressure levels have then been vertically integrated, using the MSU4/AMSU9 weighting function, to provide a deep vertical layer temperature proxy of the merged MSU4+AMSU9 series. Differences between this vertically integrated data set and two different versions of the MSU4+AMSU9 data set – one from Remote Sensing Systems and one from the University of Alabama at Huntsville – were examined for discontinuities. No statistically significant discontinuities were found in either of those two data sets suggesting that the transition from the MSU4+AMSU9 data to AMSU9 data only does not introduce any discontinuities in the MSU4+AMSU9 climate data records that might compromise their use in temperature trend analyses.