Miracle-dz/UniFAR-FTUs huggingface dataset:
Meniscus curvatures in capillaries of uniform cross-section

Menisci contained in capillaries of uniform cross-section can be broadly classed according to whether wedge-like liquid structures exist, as in triangular-section tubes, or do not exist, as in circular-section tubes. In tubes which form wedge menisci the liquid in the wedge adopts a form so that a section through the liquid surface is the arc of a circle. The volume of liquid per unit length of the wedge is constant along the tube. A non-wedging meniscus, however, is locally bounded by its tube and has a curvature inversely proportional to the hydraulic radius of the tube. Mayer and Stowe (J. Colloid Interface Sci., 1965, 20, 893) proposed an approximate method of determining the mean surface curvature of menisci in sphere packs. It was later applied independently by Princen (J. Colloid Interface Sci., 1969, 30, 60) to estimating capillary rise in spaces between parallel rods. The method, which incorporates the presence of wedges, is shown to be exact for determining mean surface curvatures in systems where the meniscus is undistorted by gravity. Experimental confirmation of the theoretical predictions to within 1.5% was obtained from measurements of capillary rise of a perfectly wetting liquid in tubes formed either by a rod and a square corner or by two rods and a plate. The conditions of pore geometry and contact angles which give rise to wedge menisci are discussed and illustrated by examples which include menisci in tubes of polygonal section.
Synthesis and NMR spectroscopy of cyclopalladated tertiary phosphite complexes. X-ray crystal structure of Pd(.eta.5-C5H5)[P(OPh)2(OC6H4)]

La reaction de PdCl 2 (PhCN) 2 avec P(OPh) 2 donne le complexe PdCl 2 (P(OPh) 3 ) 2 qui est ensuite traite avec PdCl 2 dans differents solvants aromatiques. On obtient des complexes de type [Pd(u-Cl)(P(OR 1 ) 2 (OC 6 H 3 R 2 ))] 2 •(R 1 =Ph, p-tolyl, Et, R 2 =H, CH 3 , OCH 3 ). Le complexe [Pd(u-Cl)(P(OPh) 2 (OC 6 H 4 ))] 2 reagit avec Tl(cp) et donne le complexe Pd(cp)(P(OPh) 2 (OC 6 H 4 )). Etude de sa structure cristalline par diffraction RX
Asymptotic analysis of lubricated heavily loaded point contacts with skewed direction of entrained lubricant

The paper is devoted to the application of the early developed asymptotic approach to solution of the steady isothermal problem of elastohydrodynamic lubrication (EHL) for heavily loaded point contacts with skewed direction of entrained lubricant. It is shown that the whole contact region can be subdivided into three subregions: the central one, which is far away from the other two regions occupied by the ends of the horseshoe‐shaped pressure/gap distribution. The central region, in turn, can be subdivided into the Hertzian region and two adjacent boundary layers — the inlet and exit zones. Moreover, in the central region in the inlet and exit zones, the EHL problem can be reduced to asymptotically valid equations identical to the ones obtained in the inlet and exit zones of heavily loaded line EHL contacts. These equations can be analytically analysed and numerically solved on the basis of the stable methods using a specific regularization approach, which were developed for lubricated line contacts. Cases of pre‐critical and over‐critical lubrication regimes are considered. The by‐product of this asymptotic analysis is an easy analytical derivation of formulas for the lubrication film thickness for pre‐critical and over‐critical starved and fully flooded lubrication regimes. The latter allows for simple analysis of the film thickness as a function of the contact eccentricity and the direction of the entrained lubricant at the inlet in the contact. Copyright © 2013 John Wiley & Sons, Ltd.
Pattern recognition and neural networks applied to structure–activity relationships of neolignans tested against Leishmania amazonensis using quantum chemical and topological descriptors

Pattern recognition (PR) and neural networks (NN) were applied to structure–activity relationship studies of a series of neolignans tested against Leishmania amazonensis. Comparison of NN with PR methods revealed that the capability of the two methods are similar to classify the molecules in the different categories, but it was found that K-nearest neighbors and NN are superior to SIMCA in the activity prevision of a new set of compounds. The applicability of these methods using quantum chemical descriptors and topological indices were investigated. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem 95: 295–302, 2003
Simulation of semi-explicit mechanisms of SOA formation from glyoxal in a 3-D model

Christoph Knote1), Alma Hodzic1), Jose L. Jimenez2,3), Rainer Volkamer2,3), Sunil Baidar2,3), Jerome Brioude3,5), Jerome Fast4), Jessica B. Gilman3,5), Allen Goldstein9), Joost de Gouw3,5), Patrick Hayes2,3), B. Tom Jobson6), W. Berk Knighton7), William C. Kuster3,5), Hilke Oetjen8), John Orlando1), Chen Song4), Harald Stark3,5), Philip S. Stevens10), Ryan Thalman2,3), Geoff Tyndall1), Carsten Warneke3,5), Rebecca Washenfelder3,5), Eleanor Waxman2,3), Qi Zhang11)
Development and laboratory evaluation of a compact swirling aerosol sampler (SAS) for collection of atmospheric bioaerosols

Abstract Inhalation of infectious bioaerosols has been linked to a variety of respiratory diseases. However, efficient sampling techniques to allow high temporal resolution sampling are limited to collect and study bioaerosols in the various occupational and ambient micro–environmental atmospheres. This study introduces a medium flow swirling bioaerosol sampler (SAS) approach that collects atmospheric bioaerosols at the flow rate of 167 Lpm (10 cubic meter per hour). The collection of bioaerosols is achieved through a combination of impaction and cyclonic centrifugal motion. Aerosol deposition efficiency tests were performed with monodispersive polystyrene latex (PSL) particles ranging from 0.1 to 10 μm. Results have shown that the sampler has cut–off size of 0.7 μm and 1.5 μm, with and without the assistance of added water vapor, respectively. The bioaerosol collection and viability tests were performed with comparison to the commercially–available BioSampler, and the results show that the collection efficiency of the SAS is 97% at the designed flow rate, while the higher flow of the new system yields more than 13 times of the collection rate compared to the BioSampler. The high collection efficiency and observed viability preservation of the SAS make it an attractive alternative for high time resolution bioaerosol sampling for atmospheric, occupational and indoor air quality monitoring.
Glycaemic index of fruits and fruit products in patients with diabetes

Patients with diabetes are often recommended to use whole fruit rather than canned fruit or fruit juice because of a belief that the addition of sucrose to canned fruit and the removal of dietary fibre to make fruit juice may increase blood glucose responses. However, the glycaemic responses of few fruits and fruit products have been assessed in patients with diabetes. Therefore, we determined the glycaemic index (GI) values of ten fruits and fruit products in patients with diabetes, for comparison with the GI of white bread (100). The mean ± s.e. m. GI values, with number of subjects in parentheses, were: pineapple juice, 66 ± 3 (13); grapefruit juice, 69 ± 5 (13); apple juice, 59 ± 8 (6); canned peaches, 74 ± 7 (11); canned pears, 63 ± 6 (10); canned apricots, 91 ± 6 (9); fruit cocktail, 79 ± 5 (8); dried apricots, 46 ± 7 (9); fresh oranges, 69 ± 11 (10); and fresh pears, 58 ± 7 (13). It is concluded that in patients with diabetes the glycaemic responses of various fruit products vary over a two-fold ran.
Small-Angle Scattering from Colloidal Dispersions

Colloidal dispersions have structure on length scales from 10 to 1000 A. Both inter- and intraparticle scattering contribute to the measured small-angle scattering spectra. Here are reviewed methods of quantitatively analyzing scattering from interacting polydisperse colloidal suspensions. The concept of a colloidal macrofluid enables the use of statistical thermodynamic theories to calculate the important effects of interparticle interactions on the scattering curves. Neglect of interparticle interactions negates the usefulness of measured distance distribution functions. Polydispersity and particle anisotropies are treated in an approximate way with decoupling approximations. Scattering data must be obtained over a wide range of q, and model fits must be consistent with all the data.
Carbon kinetic isotope effect in the reaction of CH4 with Cl atoms

The carbon kinetic isotope effect in the reaction between Cl and CH4 (KIECl) has been measured using tunable diode laser absorption spectroscopy to determine 13CH4/12CH4 ratios. Cl atoms were generated by the irradition of Cl2 in static mixtures of Cl2/CH4/N2 or Cl2/CH4/N2/O2. Both methods resulted in a (KIECl) of 1.066±0.002 at 297 K. The KIECl displayed a slight temperature dependence, increasing to 1.075±0.005 at 223 K. This result suggests a significant influence of the title reaction on the stratospheric CH4 isotopic composition and may help to resolve discrepancies between measurements of stratospheric 13CH4/12CH4 profiles and laboratory measurements of KIEOH.
Refinement and Parametrization of COSMO-RS

The continuum solvation model COSMO and its extension beyond the dielectric approximation (COSMO-RS) have been carefully parametrized in order to optimally reproduce 642 data points for a variety of properties, i.e., ΔG of hydration, vapor pressure, and the partition coefficients for octanol/water, benzene/water, hexane/water, and diethyl ether/water. Two hundred seventeen small to medium sized neutral molecules, covering most of the chemical functionality of the elements H, C, N, O, and Cl, have been considered. An overall accuracy of 0.4 (rms) kcal/mol for chemical potential differences, corresponding to a factor of 2 in the equilibrium constants under consideration, has been achieved. This was using only a single radius and one dispersion constant per element and a total number of eight COSMO-RS inherent parameters. Most of these parameters were close to their theoretical estimate. The optimized cavity radii agreed well with the widely accepted rule of 120% of van der Waals radii. The whole parametriza.
Mechanism for the conductivity changes caused by membrane electroporation of CHO cell-pellets

Electric field pulses, applied to densely packed pellets of Chinese hamster ovary (CHO) cells of mean radius āc = 7.5 ± 0.7 μm, cause major electric conductivity changes, described by three kinetic normal modes. The first mode reflects Wien effects of ionic atmosphere perturbations and ion pair dissociations (cell surfaces). Using Maxwell’s conductivity equation, the second and third mode are converted to the respective membrane conductivity modes. Electrothermodynamic analysis in terms of structural transitions from closed (C) to porated (P) membrane states of very different lifetimes, according to the scheme (C ⇌ C1) ⇌ (P2 ⇌ P3), yields the mean pore radii 2 = 1.00 ± 0.05 nm (P2) pores and 3 = 1.5 ± 0.1 nm (P3) at T = 293 K (20 °C). The relaxation time τ2 (P2-formation) reflects the rate limiting step (C ⇌ C1), associated with the activation dipole moment of Δm1 = 63 × 10−30 C m (or 19 Debye units), suggesting orientational changes of dipolar lipid head groups, in the solution membrane interfaces preceding the actual pore formations. Besides: the field-dependencies of the pore fractions f2 and f3 (order of 10−3), the field reduction factors fλ,i≤ 1 and the membrane voltage, we obtain the zero-field pore conductivities λ0p,2 = 1.7 × 10−2 mS cm−1 (P2) and λ0p,3 = 0.10 mS cm−1 (P3) and the membrane conductivity λm0 = 3.2 μS m−1. The post-field conductivity changes, due to the long-lived P3-pores, are analyzed in terms of time- (and field-) dependent efflux coefficients. The characteristic post-field pore resealing time τR = τ03 = 45 ± 3 s is independent of the field strength of the causative pulse and independent of the distance between the two electrodes. These results are an essential part for the optimization of the electrical pulse parameters, also for the clinical electrotransfer of bioactive substances into aggregated biological cells (tissue).
A GENERALIZED EQUATION OF STATE TO PREDICT OIL-STOCK DENSITY

The Costald equation has been generalized to permit calculation of densities of oil-stocks and their mixtures using critical temperature, critical pressure, characteristic volume, Soave-Redlich-Kwong acentric factor, and molecular weight. Adaptation of the Costald equation with Hankinson-Brobst-Thomson technique offers flexibility for estimating densities. This new method provides accurate and computationally reliable prediction of oil-stocks densities.
Heterogeneous Reactions of ClONO2, HCl, and HOCl on Liquid Sulfuric Acid Surfaces

The heterogeneous reactions of ClONO2 + H2O yields HNO3 + HOCl (1), ClONO2 + HCl yields C12 + HNO3 (2), and HOCl + HCl yields Cl2 + H2O (3) on liquid sulfuric acid surfaces have been studied using a fast flow reactor coupled to a quadrupole mass spectrometer. The main objectives of the study are to investigate: (a) the temperature dependence of these reactions at a fixed H2O partial pressure typical of the lower stratosphere (that is, by changing temperature at a constant water partial pressure, the H2SO4 content of the surfaces is also changed), (b) the relative importance or competition between reactions 1 and 2, and (c) the effect of HNO3 on the reaction probabilities due to the formation of a H2SO4/HNO3/H2O ternary system. The measurements show that all the reactions depend markedly on temperature at a fixed H2O partial pressure: they proceed efficiently at temperatures near 200 K and much slower at temperatures near 220 K. The reaction probability (gamma(sub 1)) for ClONO2 hydrolysis approaches 0.01 at temperatures below 200 K, whereas the values for gamma(sub 2) and gamma(sub 3) are on the order of a few tenths at 200 K. Although detailed mechanisms for these reactions are still unknown, the present data indicate that the competition between ClONO2 hydrolysis and ClONO2 reaction with HCl may depend on temperature (or H2SO4 Wt %): in the presence of gaseous HCl at stratospheric concentrations, reaction 2 is dominant at lower temperatures (less than 200 K), but reaction 1 becomes important at temperatures above 210 K. Furthermore, reaction probability measurements performed on the H2SO4/HNO3/ H2O ternary solutions do not exhibit noticeable deviation from those performed on the H2SO4/H2O binary system, suggesting little effect of HNO3 in sulfate aerosols on the ClONO2 and HOCl reactions with HCl. The results reveal that significant reductions in the chlorine-containing reservoir species (such as ClONO2 and HCl) can take place on stratospheric sulfate aerosols at high latitudes in winter and early spring, even at temperatures too warm for Polar Stratospheric Clouds (PSCs) to form or in regions where nucleation of PSCs is sparse. This is particularly true under elevated sulfuric acid loading, such as that after the eruption of Mt. Pinatubo. Comparisons between our results and those presently available have also been made.
Very high resolution spectroscopy of high Rydberg states of the argon atom

Very high resolution spectra of high Rydberg states of the argon atom with principal quantum numbers in the range n=60–200 have been measured in double-resonance experiments using a high resolution vacuum ultraviolet laser and frequency stabilized millimeter waves. The 250 kHz resolution achieved in the double-resonance spectra enables the determination of accurate effective quantum numbers and the precise measurement of fine-structure intervals in l=0–3 Rydberg states at n values much beyond 50. The high resolution is also used to detect spectral shifts induced by small electric fields. Analysis of these spectral shifts allows the determination of stray electric fields with uncertainties of less than 1 mV/cm and their compensation to less than 1 mV/cm. The spectra of high Rydberg states are very strongly influenced by experimental conditions and the highest resolution can only be obtained when the stray electric fields are reduced to less than 1 mV/cm and the intensity of the millimeter waves are reduced.
Factors affecting the release of hydrophobic organic contaminants from natural sediments

Numerous physical and chemical changes in aquatic systems can affect the sorption and desorption of organic contaminants. In this study, the effects of competitive sorption, caustic treatment, and temperature on the release of sorbed chlorinated hydrocarbons and naphthalene from natural sediments were studied. The experiments were specially designed so that the results would reflect the nature of the irreversible compartment. The effect of competitive sorption fell into two categories. The release of chlorinated benzenes and hexachlorobutadiene from the reversible fraction in Lake Charles, Louisiana, USA, sediment was increased with the competitive sorption of naphthalene, while the release of naphthalene and 1,4‐dichlorobenzene from the irreversible compartments in Dickinson, Texas, USA, sediment was unaffected by the sorption of trans‐cinnamic acid at 100 mg/L. Similarly, preliminary experiments showed that caustic treatment of sediments did not enhance the desorption from the irreversible fraction. Also, the enthalpy of sorption associated with the irreversible compartment was −21.60 ± 0.76 kJ/mol, indicating that sorption was via simple van der Waal's forces. Experimental results in this study support a previously proposed irreversible sorption mechanism in which irreversible sorption is attributed to the physical entrapment of organic molecules in sediment matrices after the hydrophobic partitioning.
Fluoride pollutants as causative agents for nitrotoxins generated in some legume plants

Leaflets of six collected legume species including Alhagi camelorum Fisch. , Cercis siliquastrum L. , Glycyrrhiza glabra L. , Medicago sativa L. , Robinia peseudoacacia L. , and Sophora alopecuroides L. from an aluminum reduction plant area in Iran were analyzed for presence of toxic aliphatic nitro compounds. In addition, studies were conducted to determine fluoride (Fl) levels in these plants. Controls were from 10 km distance of the factory. Results showed high Fl concentration in all polluted samples. Phytochemical changes in all polluted leaves, with the exception of C. siliquastrum and G. glabra, were observed with presence of nitrotoxins.
Electromotive force studies of cellulose acetate membranes. Binding of divalent cations and membrane potentials of KCl–KF mixtures

Cellulose acetate (CA) membranes cast in our laboratory were characterised electrochemically by EMF measurements. Henderson and Schlogl integrations are used for calculating the membrane potential. Experiments with divalent ions (BaCl2, MgCl2 in HCl) have been performed, and it is shown that the divalent ions bind strongly to the glucuronic acid groups in the CA membrane, transforming the cation exchanger into an anion exchanger. It takes more than one month for the bound divalent cations to dissociate fully from the glucuronic acid groups at 25 °C. The four-ion system KCl–KF–HCl is studied, and it is shown that the F– ion has a lower diffusion coefficient in the membrane than the Cl– ion. The differences between Schlogl and Henderson integration are less than the experimental uncertainty for the KCl–KF–HCl measurements. The membrane concentration profiles and fluxes of ions are calculated for the system KCl–KF–HCl.
Copper in Photocatalysis

Light‐induced electron transfer (CuI to CuII), oxidative addition (CuI to CuIII), or the activation of copper alkene or alkyne complexes are possible key steps that offer unique possibilities for organic synthesis, including [2+2]‐cycloadditions, cross‐coupling reactions or atom transfer radical additions. This Minireview provides an overview on the photophysical properties of photocatalysts based on copper and on synthetic transformations mediated by them.
An overview of electrical properties for stress grading optimization

The scope of the following paper is to present, both from a theoretical and a practical point of view, some aspects involved in stress grading in the general configuration where insulated HV conductors pass through a grounded screen. The difference between capacitive and resistive materials is discussed; particular attention is devoted to the rules governing the potential and the field distribution in both cases. The case of a capacitive varnish with nonlinear permittivity is discussed and a comparison with materials of constant permittivity is made. The experimental behavior of nonlinear semiconducting materials used in practice are examined and a discussion is given on the possible use of resistive materials of constant conductivity. Finally, practical considerations are listed as basic rules for optimizing the grading effect.
A New Technique to Sense Humidity Based on Optical Heterodyne detection

A new method of shifting in phase of optical heterodyne detection for humidity sensing have been proposed and demonstrated. In this paper, optical heterodyne techniques by using single source with single Fiber Brag Grating (FBG) were designed and studied. In this work FBG has been used as a light source and sensing element at the same time. FBG used as a laser source to achieve heterodyne detection through combine its reflected light with main laser source. Furthermore a combined lights was generated a beat frequency (F_B). The simulation results proved the ability of the proposed technique to achieve the requires sensitivity about 0.142 GHz / %RH.
Synthesis of poly(propylene-glycol-diacrylates) and properties of the photocured networks

A series of poly(propylene-glycol-diacrylates) (PPGDA) having molecular weights (MW) in the range 300–3,000 and an acrylic functionality near to two were synthesized by acrylation of the corresponding hydroxy-terminated oligomers with acrylic acid in the presence of p-toluensulphonic acid as a catalyst. The M¯n of the acrylated products was found slightly lower than that of the starting oligomers, indicating the occurrence of an acidic degradation reaction which does not influence the acrylic functionality. The acrylated oligomers were ultraviolet (UV) cured until a complete double bond disappearance was obtained: only in the presence of tripropylene-glycol-diacrylate (TPGDA) were small amounts of residual unsaturations revealed. Rubbery materials were usually obtained, with the exception of TPGDA. The properties of the cured PPGDA were investigated by means of differential scanning calorimetry, thermomechanical analysis, and dynamic mechanical thermal analysis. The Tg values were found to decrease by increasing the MW of the used oligomers, that is, by increasing the length of the chain between the two acrylic double bonds. A good agreement with the Nielsen equation was found. Moreover, the equilibrium swelling values in water were measured; the obtained values were interpreted in terms of the solubility parameters of the oligomers and of the crosslinking density of the networks. Finally, some mixtures of PPGDA oligomers with a typical epoxy-acrylate resin were UV cured; their properties confirm the high flexibilizing effect of the PPGDA oligomers. © 1997 John Wiley & Sons, Inc. J Appl Polym Sci 65:491–497, 1997
Polyprenylated Phloroglucinol Derivatives from Hypericum sampsonii

Six new prenylated phloroglucinol derivatives, hypersampsones A–F (1–6), were isolated from the aerial part of Hypericum sampsonii, together with 2,4,6-trihydroxybenzophenone, 2,4,6-trihydroxybenzophenone 4-O-geranyl ether, 2,4,6-trihydroxybenzophenone 3-C-geranyl ether, sampsoniones D and H. Their structures were elucidated by spectroscopic methods, mainly 1D- and 2D-NMR spectroscopy and mass spectrometry.