Miracle-dz/UniFAR-FTUs huggingface dataset:
Variability in the Coordination Modes of 2‐Pyridineformamide Thiosemicarbazone (HAm4DH) in some Zinc(II), Cadmium(II), and Mercury(II) Complexes

The reduction of 2-cyanopyridine by sodium in dry methanol in the presence of thiosemicarbazide produces 2-pyridineformamide thiosemicarbazone, HAm4DH. The reactions of the potentially tridentate ligand HAm4DH with salts of Zn, Cd, and Hg gave a variety of metal-ligand complexes. The complexes were characterized by mass spectrometry as well as IR and multinuclear NMR (1H, 13C, 13C CP/MAS, 113Cd, 199Hg) spectroscopy. The crystal structures of [Zn(Am4DH)(OAc)]2·H2O, [Hg(HAm4DH)2Br2]·C2H5OH and [Hg(μ-S-Am4DH)Br] were obtained. Coordination of anionic Am4DH− occurs through the pyridyl nitrogen, imine nitrogen and thiolato sulfur atoms, while the neutral ligands in [Hg(HAm4DH)2Br2] coordinate as monodentate ligands through their thione sulfur atoms. One of the acetate ligands in [Zn(Am4DH)(OAc)]2·H2O is bridging monodentate and the other bridging bidentate. [Hg(μ-S-Am4DH)Br] features five-coordinate mercury centers with bridging thiolato sulfur atoms. The intermolecular arrangement is dictated by hydrogen bonding from the amino groups and by π-π stacking of the pyridine rings.
Experimental Study of Steam Reforming of Methane in a Thin (6 μM) Pd-Based Membrane Reactor

A novel, thin (6 μm), defect-free Pd/MPSS (macroporous stainless steel) composite membrane tube was prepared by using a multidimensional plating mechanism. A high hydrogen permeation flux of 0.260 mol/(m2 s) and complete hydrogen selectivity were obtained at a temperature of 500 °C and a pressure difference of 100 kPa. The catalytic membrane reactor for steam reforming of methane was constructed with the as-synthesized thin Pd/MPSS composite membrane and a commercial Ni−Al2O3 reforming catalyst. Methane conversion, hydrogen extraction ratio, and hydrogen production rate of the membrane reactor were studied in detail under different operating parameters such as temperature, pressure, space velocity, steam-to-methane ratio, and sweep gas flux. Some important effects were found for these operating parameters to the three performance factors. Drastic superiority to the traditional reactor was proved by changing the Pd-based membrane tube to a dense stainless steel tube with the same diameter. Moreover, on com.
Influence of Evaporation on Contact Angle

The evaporation of sessile drops of water and n-decane placed on various substrates has been studied using a projection method. Drop dimensions and contact angle have been measured as a function of time. The first stage of the experiment corresponds to a saturated atmosphere ; then, when evaporation is allowed to occur, two or three different stages appear (depending on the surface roughness). For the first of these, a model is proposed which allows us to calculate the coefficient of diffusion of the liquid vapor in air.
Surface characterization of standard cotton fibres and determination of adsorption isotherms of fragrances by IGC

The surface characterizations of the WFK16000 standard cotton by dispersive, specific and total surface energy heterogeneity profiles with surface energy distributions and acid–base properties determined by surface energy analyser are presented in this work. The Dorris–Gray and Schultz methods for the determination of the dispersive surface energy component are compared, and their critical analysis is given. It is concluded that the Dorris–Gray method is more applicable at elevated temperature. Furthermore, Henry's coefficient, standard free enthalpy, enthalpy and entropy data at infinite dilution and adsorption isotherms for some fragrances (benzyl acetate, Cyclal C, diphenyl oxide, eucalyptol, linalool and viridine) measured on dry cotton fibres by inverse gas chromatography at various temperatures are given. The temperature‐dependent form of the Langmuir equation has been fitted to the multiple temperature adsorption isotherms with good agreement. Copyright © 2015 John Wiley & Sons, Ltd.
Deconvoluting contributions of photoexcited species in polymer-quantum dot hybrid photovoltaic materials

Abstract. Ultrafast transient absorption spectroscopy is used in conjunction with spectroelectrochemistry and chemical doping experiments to study the photogeneration of charges in hybrid bulk heterojunction (BHJ) thin films composed of poly[2,6-(4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b′]-dithiophene)-alt-4,7-(2,1,3-benzothiadiazole)] (PCPDTBT) and CdSe nanocrystals. Chemical doping experiments on hybrid and neat PCPDTBT:CdSe thin films are used to deconvolute the spectral signatures of the transient states in the near infrared. We confirm the formation and assignment of oxidized species in chemical doping experiments by comparing the spectral data to that from spectroelectrochemical measurements on hybrid and neat PCPDTBT:CdSe BHJ thin films. The deconvolution procedure allows extraction of the polaron populations in the neat polymer and hybrid thin films.
Radial structure of a low-frequency atmospheric-pressure glow discharge in helium

The spatial structure of a low-frequency atmospheric-pressure glow discharge was studied experimentally. The radial current distribution and discharge light emission were simultaneously measured at different phases during the ac voltage cycle. The glow discharge is formed by a radially propagating ionization wave. We also observed discharge regimes with several current pulses per half cycle corresponding to the successive, spatially separated breakdowns.
Characterization of bismuth triborate single crystal using Brillouin and Raman spectroscopy

The bismuth triborate (BiB3O6; BIBO) single crystal has been studied by Brillouin and Raman spectroscopy. Using Brillouin spectroscopy the propagation of the acoustic phonons in [100], [010], [001], [110] and [011] directions has been analyzed. The influence of birefringent and optical activity of BIBO crystal on some acoustic phonons has been discussed. The Raman spectra of the crystal in different scattering geometries have been recorded in the 50–1500 cm‐1 spectral range at room temperature. The number and symmetry of Raman active modes was determined on the basis of site symmetry group analysis. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Herbicide and Tracer Movement in Soil Columns Containing an Artificial Macropore

The objectives of this study were to: (i) develop a soil column containing artificial macropores for preferential flow experiments with a silty clay loam soil, and (ii) compare the movement of alachlor, cyanazine, pendimathalin, and chloride among packed soil columns with either a continuous macropore, a macropore initiating 4 cm below the soil surface, or without a macropore
Water treeing in polyethylene cables

Water tree growth in polyethylene cable insulation is discussed. The characteristics of water trees, the effect of aging parameters on water tree growth, and the possible mechanisms of growth are considered, emphasizing vented tree development in polyethylene insulating materials. The morphology of water trees, the characteristics of the tree-infested dielectric cable, and test methods and measures to reduce water treeing are discussed. >
Heavy metal partition in acid soils contaminated by coal power plant

Metal partition coefficient (Kp) may vary by several orders of magnitude because of the different soil characteristics. Therefore, for human health risk assessment it is important to determine the specific soil metal Kp. For the coal-fired Figueira (Figueira county, north of Parana State) power plant surrounding soil, two different extraction methods representing the soil liquid phase were used to determine the Kp of soil samples: an EDTA and a Ca(NO3)2 extracting solution. In general, KpCa(NO3)2 values showed more variability and were higher than KpEDTA. KpCa(NO3)2/KpEDTA ratio for Cd, Ni and Zn was close to one, while Co, Cr, Cu and Pb ratios were higher than two. Subsequent KpEDTA and KpCa(NO3)2 analyses showed similar soil adsorption for all metals, except Pb. Concerning the Figueira soil case, because of the relatively low KpCa(NO3)2/ KpEDTA ratio (except for Pb), both Kp values could be used for conducting human health risk assessment with mathematical models.
The application of infrared microimaging for the determination of the distribution, penetration depth, and diffusion profile of methyl centralite and dibutyl phthalate deterrents in nitrocellulose monoperforated propellant

Infrared microspectroscopy was used to determine quantitatively and qualitatively methyl centralite (MC) and dibutyl phthalate (DBP) diffusion profiles in cross sections of nitro-cellulose-based monoperforated propellant grains. The absorbance values of the CO peak of DBP at 1717 cm −1 and the aromatic CC peak of MC at 1496 cm −1 were measured relative to the NO2 overtone peak of the nitrocellulose at 2555 cm−1 at 10 μm intervals from the outside edge inward (external profile) and the perforation edge inward (internal profile). Infrared microimaging was used to determine the distribution and penetration depth of the DBP and MC using the CO peak of DBP at 1717 cm−1 and the aromatic CC peak of MC at 1496 cm−1 as diagnostic of the two deterrents to obtain the contour and axonometric displays of the distribution. © 1993 John Wiley & Sons, Inc.
Changes in Protein Compounds and Monosaccharides in Select Grass Species Following Application of a Seaweed Extract

The objective of our study was to determine changes in protein and monosaccharide content in select grass species due to an application of the kelp species Ecklonia maxima extract. The field experiment was arranged as a randomized sub-block design (split-split-plot) with three replicates. The following factors were examined: growth stimulant with the trade name Kelpak SL, which was either applied at the rate of 2,000 dm 3 ·ha -1 or not applied, pure-sown grass species, and cultivars (Dactylis glomerata, cv. Amila and Tukan; Festulolium braunii, cv. Felopa and Agula). Protein compounds and monosaccharides were determined in the dry matter of the tested grasses. The biostimulant Kelpak significantly increased both protein compounds and monosaccharides as well as the carbohydrate-protein ratio in the plants. The grass species and their cultivars had different levels of protein compounds and carbohydrates.
SOLVENT EXTRACTION OF TRIVALENT LANTHANIDES AND YTTRIUM FROM NITRATE MEDIA BY DIALKYL SULPHOXIDES

The solvent extraction of the trivalent rare-earth metals (the lanthanides and yttrium, Ln3+) from nitrate media by xylene solutions of some dialkyl sulphoxides (R2SO, where R=alkyl) was studied. The salting-out effect of added metal nitrate (5.00 M) increases in the order: NH4NO3>NaNO3>LiNO3. Extraction is independent of pH in the range from 2 up to at least 4, but decreases gradually below pH 2 due to the competing extraction of nitric acid. Vapour-pressure osmometry data indicate that the dialkyl sulphoxides are not appreciably self-associated under the conditions studied (0.10 to 0.60M in xylene or toluene solutions at 30°C), which permits the use of organic-phase concentration terms (in place of activities) in the slope-analysis studies. The distribution ratios for the extraction of yttrium, gadolinium and lutetium show a third-order dependence on the concentration of the sulphoxide in the organic phase, with a slightly higher dependence (3.3) for lanthanum. In addition, the mole ratio of nitrate to metal in the loaded organic phase is close to 3, which suggests that the stoichiometry of the extracted complexes is Ln(NO3)3(R2SO)3. Increasing the steric bulk of the substituent alkyl groups (R) in the sulphoxides causes a marked decrease in metal extraction, and a reasonable correlation exists between the extraction of a given metal and the sum of the steric parameters of the alkyl groups in each of the sulphoxides used. In traversing the lanthanide series, the extraction increases in the interval La to Sm, and decreases thereafter to the end of the series. The behaviour of yttrium most closely resembles that of thulium or ytterbium.
Preparation of nano‐chitosan Schiff‐base copper complexes and their anticancer activity

A new kind of nano-chitosan Schiff-base Cu complexes with particle sizes of 350 nm were prepared by combination of nano-chitosan, Cu and Schiff-base, and characterized by FT-IR spectra, TEM, DLS and elemental analysis. The modes and mechanism of interaction of the copper complexes with DNA were studied by the fluorescent probe method and electrophoresis analysis. The results suggest that the Cu complexes bound to DNA by electrostatic and intercalation modes. The anticancer activity of the Cu complexes was evaluated by Sulforhodamine B (SRB) assay in vitro. Nano-chitosan and their Schiff-base Cu complexes inhibited the growth of the liver cancer cell lines SMMC-7721 in vitro. The inhibition rate of Schiff-base Cu complexes was higher than that of nano-chitosan. Nano-chitosan combining with Schiff-base and Cu improved their anticancer activity, which ascribed to the synergistic effect between the chitosan matrix and the planar construction of the Cu complexes. Copyright © 2008 John Wiley & Sons, Ltd.
A practical series connection technique for multiple IGBT devices

Although IGBT device manufacturers are working hard to provide higher and higher voltage ratings, presently available IGBT devices still do not meet voltage requirement for building common medium voltage power electronic equipment. Direct series connection is the most compact and cost effective way of meeting such a requirement. However, existing techniques for series connection are either too expensive, easily oscillating, lossy or even retarding IGBT fast switching advantage. This paper proposes a practical approach by combining device terminal clamping and gate signal delay control. Together they are able to handle both dynamic and steady state operation of the series chain. Experimental results verify such approach's effectiveness.
Nanofiltration Foulants from a Treated Surface Water

The loss of membrane flux due to fouling is one of the main impediments in the development of membrane processes for use in drinking water treatment. The objective of this work was to determine the nature of nanofiltration membrane foulants for a pilot system fed conventionally treated Ohio River water for 15 months. The foulant responsible for flux loss was shown to be a film layer 20−80 μm thick with the greatest depth in the first of three elements in series. Heterotrophic plate count, phospholipid, and pyrolysis-GC/MS analyses showed the film layer had a strong biological signature. The inorganic contribution to the dried film layer was low (less than 15%). Both acid and alkaline/detergent cleaning yielded only short-term flux recovery, although they were independent of each other. Neither acid cleaning, alkaline/detergent cleaning, nor hydraulic flushing removed the thickness of the film layer, nor changed its organic characteristics. Only alkaline/detergent cleaning inactivated a large percentage of.
Mechanical Activation of α-AlF3: Changes in Structure and Reactivity

α-AlF3, the thermodynamically stable rhombohedral phase of aluminum fluoride, was used as starting material to produce nanostructured powders by high-energy ball milling. Both the polycrystalline and the nanostructured powders were studied by XRD, TEM, and 27Al and 19F MAS NMR. Thermally programmed desorption of NH3 and IR spectroscopy of adsorbed CO probe molecules unambiguously demonstrate the formation of Lewis acid and Bronsted acid sites as a consequence of the mechanical impact. Catalytic test reactions using milled α-AlF3 as solid catalyst proved experimentally the theoretically suggested catalytic activity of nanosized AlF3 particles as a result of high structural distortion brought into the solid by milling.
Crystal Structure of an Adduct of Sarcosine with Sulfuric Acid (at 140 K)

The crystal structure of an adduct of sarcosine with sulfuric acid, (C 3 NO 2 H 8 ) 2 SO 4 2- , has been determined at low temperature (140 K). The crystals are triclinic, space group = P1 with the unit cell dimensions, a = 7.623(1) A, b = 11.538(2) A, c = 14.214(2) A, α = 71.46(2)°, β = 74.36(2)°, γ = 86.46(2)°. Based on 4924 reflections with intensities larger than 3σ(I) ; the structure was refined to a conventional R factor of 0.038 giving e.s. d.s. in bond lengths and angles of 0.003 A and 0.2°, respectively. There are two formula units in the asymmetric unit and both sulfate ions exist in two disordered orientations. The sulfate group 1 occupies the two orientations in the proportion 0.82/0.18 and sulfate group 2 in proportion 0.69/0.31. Both orientations of the sulfate groups satisfy the hydrogen bonding scheme equally well. There is also a pseudo-symmetry element within the asymmetric unit as one half of this unit is transformed into the other by a translation of approximately one half along the b- and c-axes. Thus, sarcosine molecule 1 is translated to sarcosine IV and sarcosine II to III. In the same manner, the sulfate group I in its main orientation is translated to the sulfate group 2 in its alternative orientation and vice versa.
PHOTOLYSIS OF IMAZAPYR (AC 243997) HERBICIDE IN AQUEOUS MEDIA

Arsenal herbicide, the active ingredient of which is imazapyr [2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid], is an imidazolinone type of herbicide. Photodegradation of imazapyr 14 C labeled at the carboxyl and 5-oxocarbon positions was carried out separately under borosilicate-filtered xenon arc light at 25 °C in aqueous media (.)
Organic crystal hydrates : what are the important factors for formation

A database study of 34 770 accurate organic crystal structures reveals that the most important factor determining a higher frequency of hydrates is the sum of the average donor and acceptor counts for the functional groups. Different parameter forms for donor/acceptor properties were investigated for correlation with formation of hydrates, and are discussed. We did not find that the donor/acceptor ratio or the molecular weight significantly affects the hydrate formation. We also examined a wide range of calculated molecular properties and found that increasing polar surface is correlated with increasing hydrate formation. The water environment pattern of donor and acceptor hydrogen bonds in the crystal is influenced by the donor/acceptor ratio of the molecule.
Oxalate contents of kiwifruit (Actinidia deliciosa) juice extracted by pressing or enzyme extraction

Kiwifruit juice is a popular drink made from fruit that does not meet the standard shape and size required for direct consumption of the fruit. Extraction of the juice and pasteurisation may have an effect on the oxalate concentration of the processed juice. Total and soluble oxalate contents of extracted and processed juice were determined by HPLC chromatography. The levels were determined in the juice and pomace of pressed and enzyme-treated fruit and in the juice following pasteurisation. Oxalate contents of peeled green kiwifruit (Actinidia deliciosa var. Hayward) were 21.2 ± 0.33, 6.9 ± 0.03, 14.3 ± 0.05 (mg/100 g fresh weight) for total, soluble and insoluble oxalates, respectively. Treatment of the homogenised kiwifruit at 21°C for four hours with pectolase increased (p < 0.01) the yield of extracted juice. Higher levels of total and soluble oxalates (p < 0.01) were found in green kiwifruit juice obtained by enzymatic extraction compared with juice obtained by pressing. Most of the insoluble oxalate from the fresh kiwifruit was retained in the pomace during juice extraction. Soluble oxalate made up 59.3% of the total oxalate in the juice extracted by pressing while it constituted 66.8% of the juice extracted by enzyme extraction, compared with 32.7% in the fresh pealed tissue. Pasteurisation at 90°C significantly (p < 0.01) reduced the soluble oxalate content of both the pressed and enzyme treated kiwifruit juice but had no effect on the total oxalate content of the two juices.
Increasing Celery Resistance to Pathogens during Storage and Reducing High-risk Psoralen Concentration by Treatment with GA3

Since psoralens have a very weak antifungal activity in vitro, we propose that (+)marmesin, the precursor of psoralens in celery (Apium graveolens L.) is associated with celery resistance to pathogens. (+)Marmesin has at least 100 times greater antifungal activity in vitro than psoralens. After 1 month of storage at 2C, the concentration of total psoralens increased from 8 to 67 µg·g -1 fresh weight, (+)marmesin decreased from 27 to 4 µg·g -1 fresh weight, and the incidence of decay increased from 0% to 34%. However, when celery was treated with GA 3 before 1 month of storage at 2C, decay increased to only 7%, the concentration of psoralens increased to 31 µg·g -1 fresh weight and the concentration of (+)marmesin decreased to 13 µg·g -1 fresh weight It seems that GA3 retarded celery decay during storage by slowing down the conversion of (+)marmesin to psoralens, thereby increasing the resistance to pathogens during storage. Linear furanocoumarins (psoralens) are believed to be phytoal- exins associated with celery resistance to pathogens (Beier and Oertli, 1983; Beieret al., 1983a; Chaudhary et al., 1985). Beier and Oertli (1983) demonstrated that the phytoalexin response was also initiated by general elicitors including copper sulfate, UV light, and low temperatures. Mechanical damage occurring during har- vesting and storage has also been shown to increase furanocoumarin concentration from about 2 to 95 µg·g -1
Study on Aromatic Phosphines for Novel Fluorometry of Hydroperoxides (II) -The Determination of Lipid Hydroperoxides with Diphenyl-1-Pyrenylphosphine -

Abstract A new fluorometric determination of hydroperoxides was proposed. Non-fluorescent diphenyl-1-pyrenyl-phosphine (DPPP) was oxidized quantitatively by hydroperoxides to a strong fluorescent DPPP oxide. A sensitive assay for lipid hydroperoxides was developed based on the reaction. The reaction of lipid hydroperoxides with DPPP was conducted in the dark in the mixture of chloroform and methanol at 60°C within 60 min. The contents of hydroperoxides showed linear relation to the fluorescence intensities in a wide concentration range. The sensitivity was 10,000 times higher than conventional iodometry. The correlation constant between peroxide values obtained by iodometry and by this method was 0.9993 (n=10). The sample size was minimized to less than 3 mg per tube.
Volatile components in salt-fermented fish and shrimp pastes

Volatile compounds in salt-fermented anchovy, big-eyed herring, hair tail viscera, and shrimp pastes were compared by simultaneous steam distillation-solvent extraction/gas chromatography/mass spectrometry (SDE/GC/MS). A total of 155 volatile compounds were detected. Of these, 111 were positively identified consisting mainly of aldehydes, ketones, alcohols, esters, aromatics, nitrogen-, and sulfur-containing compounds. Lipid-derived components, such as aldehydes, alcohols, and esters, comprised the majority of volatile compounds from fish pastes, while heterocyclic nitrogen-containing compounds, such as pyrazines, were predominant in shrimp paste.
Sensitivity analysis and parameter estimation in dynamic modeling of chemical kinetics

A new approach to the dynamic modeling of chemical kinetics is presented. The technique is based on systematic planning of computer experiments, which allows an empirical model for the computed responses to be developed in the space of parameters. The empirical equations which are obtained provide complete information on the sensitivities with respect to various rate constants, disclosing their interrelationships. Utilization of these equations instead of numerical integration of the differential equations associated with the chemical reactions makes parameter estimation a trivial task. As a consequence the adequacy of the mechanism can be tested. The technique is applied to the thermal decomposition of propane.