Miracle-dz/UniFAR-FTUs huggingface dataset:
(+)‐ α‐santalol and ( − )‐ β‐santalol(Z) concentration, a new quality determinant of East Indian sandalwood oil

The level of ( + )- α-santalol (1) and ( − )- β-santalol(Z) (2) measured by capillary gas chromatography (CGC) constitutes a better criterion than the currently accepted index, viz. ‘not less than 90% of alcohol calculated as santalol’ to judge East Indian sandalwood oil. The limits proposed are: 40% to 55% (1) and 17% to 27% (2). This novel approach deserves inclusion in all official specifications of the oil.
Removal of arsenic from aqueous solutions by an adsorption process with titania–silica binary oxide nanoparticle loaded polyacrylonitrile polymer

In this study, we fabricated a new hybrid adsorbent, titania-silica binary oxide (TiO2-SiO2)-poly- acrylonitrile (PAN), by loading nanosized sol-gel-derived TiO2-SiO2 onto a porous PAN polymer for enhanced arsenite (As(III)) and arsenate (As(V)) species removal from aqueous media. The resulting sorbent was character- ized by thermogravimetric analysis, scanning electron mi- croscopy, X-ray powder diffraction, IR spectroscopy, and porosity measurements. The sorption process for the removal of As(V) and As(III) was assessed with various parameters, including the effects of the pH, contact time, temperature, and existence of foreign competing ions. We found that the adsorption of As(III) and As(V) species onto TiO2-SiO2-PAN was dependent on the pH of solu- tion, and it could be well represented by the Langmuir and Dubinin-Radushkevich isotherm models. The pre- pared hybrid adsorbent exhibited highly selective arsenic retention from water in the presence of Cl � ,N O 3 � ,N O 2 � , SO4 2� , and SO3 2� anions at much greater levels than those toxic metals examined. The values of the standard free energy, enthalpy, and entropy proved that the sorption of As(V) and As(III) species onto the hybrid adsorbent TiO2- SiO2-PAN was an endothermic and spontaneous process. All of the results validated the feasibility of TiO2-SiO2- PAN for the highly effective removal of As(V) and As(III) from contaminated waters. V C 2010 Wiley Periodicals, Inc. J Appl Polym Sci 119: 3495-3503, 2011
Reliability-Weighted Integration of Audiovisual Signals Can Be Modulated by Top-down Control

Copyright © 2018 Rohe and Noppeney This is an open-access article distributed under the terms of the Creative Commons Attribution 4.0 International license, which permits unrestricted use, distribution and reproduction in any medium provided that the original work is properly attributed. This Accepted Manuscript has not been copyedited and formatted. The final version may differ from this version. A link to any extended data will be provided when the final version is posted online.
PERMEANT ION AND SUBUNIT DEPENDENCE OF EXTERNAL Mg2+ BLOCK OF NMDA RECEPTORS

N-methyl-D-aspartate (NMDA) receptors are broadly involved in the CNS physiological and pathological processes. The voltage-dependent block by external Mg2+ is a signature characteristic of the NMDA receptors and is partly responsible for the many important roles NMDA receptors play. The work included in this Dissertation was designed to advance our understanding of the mechanism of Mg2+ block of NMDA receptors by exploring the permeant ion and subunit dependence of this process. Whole-cell and outside-out patch recordings from primary cultures of rat cortical neurons or heterologous mammalian cell lines were performed in combination with kinetic modeling. I report that Mg2+ inhibition of whole-cell NMDA currents in cortical neurons, which express NMDA receptors with NR2A or NR2B NR2 subunits, is very sensitive to ionic conditions. This phenomenon can be explained by a kinetic model which incorporates external permeant ion binding sites within the pore. Permeant ions binding to these sites prevents Mg2+ blocking or unblocking the channel. The general mechanisms of Mg2+ channel block of NR1/2D receptors is fundamentally similar to that of cortical receptors. However, Mg2+ block of NR1/2D receptors is much weaker than cortical receptors, mostly due to faster Mg2+ unblocking. Permeant ions also greatly affect Mg2+ block of NR1/2D receptors. The results can be explained by a kinetic model that incorporates two external and one internal permeant ion binding sites in the channel of NMDA receptors. When these sites are occupied by permeant ions, Mg2+ blocking or unblocking is affected. Thus, the research included in this Dissertation has deepened our understanding of the mechanism of Mg2+ block . The work also provides insights into NMDA receptor structure and gating.
An Analysis of Integral Challenges and Promises for Technological Applications of Emerging HTSC

The search for novel high-phase transition temperature (Tc) superconducting (HTSC) phases overcome the existing problems and expedite commercialization to achieve room temperature superconductors (RTSC) with integral challenges and promises for technological applications. The proposal presents an analysis of structural characterization and applicability aspects of the HTSC phases as the emerging sophisticated field for technological applications.
Anti-microbial activities of protic ionic liquids with lactate anion

Minimum inhibitory concentrations (MIC) and minimum biocidal concentrations (MBC) were established for 1-alkylimidazolium and 1-alkoxymethylimidazolium lactates tested against rods, cocci and fungi. We found that anti-microbial activities of the protic ionic liquids are strongly related to the length of the substituent and to the DL- or L-type anion. Lactates with short substituents up to pentyl or pentyloxymethyl remain inactive toward microorganisms. In addition physical properties and thermal stability of protic ionic liquids have been described. We found them to readily undergo decomposition under the effect of ozone in aqueous solution.
Copper Deposition on HF Etched Silicon Surfaces: Morphological and Kinetic Studies

The kinetics and morphologies of Cu deposition on HF-treated silicon surfaces were investigated by atomic force microscopy (AFM), inductively coupled plasma mass spectroscopy (ICP/MS), and graphite furnace atomic absorption spectroscopy (GFAAS). The early stage (<60 s) of Cu deposition, as characterized by AFM, was found to be dominated by the nucleation of nanometer-sized Cu nuclei on HF-treated silicon surfaces. After 60 s of Cu deposition, the total grain number of Cu deposits was leveled to a constant plateau. However, a significant grain size increase of deposition Cu nuclei was noticed. We employed an AFM volume-integration technique in conjunction with the ICP/MS and GFAAS measurements to demonstrate that the Cu deposition rate was limited by the diffusion of Cu 2+ ions across the stationary solution layer toward the silicon surface.
13C-NMR analysis of chain microstructure of copolyimides on the basis of 2,2-bis[(3,4-dicarboxyphenoxyl)-phenyl]-propane dianhydride synthesized in molten benzoic acid

Three series of copolyimides CPI-1, CPI-2 and CPI-3 were prepared in molten benzoic acid, based on 2,2-bis-[(3,4-dicarboxyphenoxy)-phenyl]-propane dianhydride (intermonomer) and three pairs of diamines (comonomers): aromatic/aliphatic (CPI-1, CPI-3) and moderate basic aromatic/low basic aromatic (CPI-2). The chain microstructure of copolyimides was determined by means of the high resolution 13C NMR spectroscopy. It was found that microstructure of copolyimides depends on the order of comonomers/inermonomer loading. The one-shot loading of comonomers/intermonomer mixture leads to random copolymer whereas slow addition of intermonomer to the mixture of two comonomers leads to preferentially multi-block copolymer.
Experiments in a pilot-scale impulse unit – energy efficiencies

Experiments were conducted to study the energy efficiency of the impulse unit in the pilot-scale research paper machine at the Swedish Pulp and Paper Research Institute (STFI) In Stockholm, Sweden. The paper produced was made of kraft softwood pulp with basis weights of 60-120 g/m(2). The roll surface temperature ranged from ambient temperature to 350 degreesC and the press loads were between 400-800 kN/m. The paper was produced at machine speeds: of 300-800 m/min. Two different impulse drying efficiencies were defined, the total specific energy use (TSEU) and the impulse drying specific energy use (ISEU). The TSEU was defined as the electrical power input divided by the total water removal. The TSEU should be used as an overall efficiency parameter and should be compared with existing dryer section efficiencies. The TSEU was mainly dependent on the roll surface temperature, the ingoing moisture ratio of the paper web, the press load and the basis weight. In general, the impulse unit had higher energy efficiency than a modern dryer section. The ISEU was defined as the power transferred to the paper web divided by the water removal due to the elevated temperature. This value should be compared with the latent heat of vaporisation and it provides information about the water removal mechanism in impulse drying. The ISEU was found to depend on the roll surface temperature and the ingoing moisture ratio of the paper web. The ISEU was close to the latent heat of vaporisation indicating that the water removal mechanism in impulse drying was hot pressing combined with flashing of superheated water. (Less)
Performance of different extraction media for the ultrasonic-assisted extraction of nonylphenol and nonylphenol mono- and diethoxylates from sediments

A systematic study was undertaken to optimise and compare the performance of different extraction media employing ultrasonic-assisted extraction (USE), for the recovery of nonylphenol (NP) and nonylphenol mono- and diethoxylates (NP1EO and NP2EO, respectively) from different spiked sediments (sand, clay and soil). Dichloromethane (DCM) and ethyl acetate (EtAc) were used alone or with methanol (MeOH). Normal phase high performance liquid chromatography with fluorescence detection (HPLC-FL) was used for separation and quantification. In a first stage, a screening Plackett-Burman experimental design was used as a multivariate strategy to evaluate the effects of three variables (solvent polarity, analytes concentrations and sonication time), at two levels each, on spiked clay. Solvent polarity was found to be the most influential factor, especially on the recovery of NP2EO. In a second stage, based on the screening results, USE time was set at 5 min to evaluate the performances of a 1 : 1 MeOH : DCM and a 1 : 1 MeOH : EtAc mixture on spiked sand, clay and soil. The 1 : 1 MeOH : EtAc mixture led to highly satisfactory recoveries for every analyte, statistically comparable to those yielded by a 1 : 1 MeOH : DCM mixture (NP > 85%, NP1EO and NP2EO > 90%). Due to similar interaction observed between each single sediment and the 1 : 1 MeOH : EtAc extractant, a composite substrate made of sand + soil + clay was spiked in a third stage. Extractant composition was then evaluated in order to find out the minimum volume of MeOH that could be used without loss of efficiency. It was found that 100% EtAc matched our aims (%R > 80 and the lowest use of DCM and MeOH). USE protocol was tested on real sediments. The compounds were quantified by HPLC-FL and the identities were confirmed by gas chromatography-mass spectrometry.
Energetics of Hydroxytetralones: A Calorimetric and Computational Thermochemical Study

The standard (p° ) 0.1 MPa) molar energies of combustion in oxygen at T ) 298.15 K of 5-hydroxy- and 6-hydroxy-R-tetralone were measured by static bomb calorimetry. The values of the standard molar enthalpies of sublimation at T ) 298.15 K were obtained by Calvet microcalorimetry. Combining these results, the standard molar enthalpies of formation of the compounds in the gas-phase at T ) 298.15 K have been calculated: 5-hydroxy-R-tetralone -(262.5 ( 2.3) kJ · mol -1 and 6-hydroxy-R-tetralone -(268.1 ( 2.2) kJ · mol -1 . Additionally, high-level single-point calculations based on density functional theory with the B3LYP hybrid exchange-correlation energy functional and extended basis sets as well as on two more accurate correlated computational techniques of the MCCM/3 suite have been performed for the studied compounds. The agreement between experiment and theory gives us confidence to estimate the enthalpies of formation of 7-hydroxy and 8-hydroxy-R-tetralone. Similar calculations were done for 5-, 6-, 7-, and 8-hydroxy-� -tetralone, for which experimental work was not done.
Alkali-free method of hide preparation for tanning

Usually, beamhouse processes are carried out by varying a medium from strongly alkaline (unhairing-liming) up to strongly acid (pickling). This study is designed to develop a preparation of hide for tanning via processes that avoid a sharp change of hide pH. Enzymes active in acid medium are employed for hide unhairing in a buffer system containing 2.5% acetic acid and 0.3% sodium acetate. An oxidative treatment with peracetic acid then allows the complete removal of residual hair and scud. During both processes, unhairing and oxidative treatment, the opening of the derma structure occurs: 13.3-14.6g of non-collagen proteins are removed and amount of dermatan sulphate decreases by 35%. The hide obtained can be chromed directly after the above processes and subsequent treatment with sodium chloride solution omitted conventional pickling. The pH of the hide varies in the range of 8.3-3.7 during the processes of preparation for tanning.
Effect of iron ion in the thermal decomposition of 50 mass % hydroxylamine/water solutions

This paper presents thermal decomposition behavior of 50 mass % hydroxylamine/water solutions (HA) when contacted with iron in the form of ferric oxide, ferrous ion, and ferric ion. If HA comes in contact with iron ion (Fe3+ or Fe2+), even in small concentrations and at ambient temperatures, it reacts violently to produce a bubbling system with very little vapor−liquid disengagement. A great amount of energy, ∼4.0 kJ/g, is released, in a very short period of time, which results in boiling of the reaction mass. The measured heat of reaction for hydroxylamine without iron ion was 3.78 kJ/g. Rust causes heterogeneous iron catalysis of the reaction, which is not as violent as homogeneous iron catalysis, where even 0.0004 mol % (10 ppm) of iron ion added at room temperature will under adiabatic conditions trigger the complete decomposition of hydroxylamine.
A sensitive enzyme immunoassay for the detection of atrazine based upon sheep antibodies

Abstract A sensitive enzyme immunoassay for the detection of atrazine has been developed on the basis of sheep antibodies. Sheep were immunized with an immunogen prepared by coupling 2-aminohexanecarboxylic acid-4-isopropylamino-6-ethylamino-1, 3, 5-triazine to keyhole limpet hemocyanin. They produced antibodies with high affinity for atrazine. An enzyme immunoassay (EIA) was optimized with a peroxidase-atrazine tracer on microtitre plates. The assay with a detection limit of 0.03 ppb permits direct measurement of water samples without concentration or clean-up steps. Cross-reactivities above 10 % were only detected for propazine, which is not used in most European countries. Validation showed good correspondence of EIA and GC/MS with a correlation coefficient of r = 0.982.
Cross-linked polyvinyl alcohol films as alkaline battery separators

Cross-linking methods were investigated to determine their effect on the performance of polyvinyl alcohol (PVA) films as alkaline battery separators. The following types of cross-linked PVA films are discussed: (1) PVA-dialdehyde blends post-treated with an acid or acid periodate solution (two-step method) and (2) PVA-dialdehyde blends cross-linked during film formation (drying) by using a reagent with both aldehyde and acid functionality (one-step method). Laboratory samples of each cross-linked type of film were prepared and evaluated in standard separator screening tests. The pilot-plant batches of films were prepared and compared to measure differences due to the cross-linking method. The pilot-plant materials were then tested in nickel oxide - zinc cells to compare the two methods with respect to performance characteristics and cycle life. Cell test results are compared with those from tests with Celgard.
Evaluation of Electrokinetic Technique for Industrial Waste Decontamination

Abstract Several industrial activities produce large amounts of metal-polluted sludge, disposal of which could pose serious environmental and ecological problems because of the usual high content of mobile metals. In this work, an electrokinetic technique was used to reduce the high metal content of two industrial wastes: sludges from mining (SM) and from the iron-steel (SIS) industry. Initially, a physical-chemical characterization of the sludge was carried out and different extraction assays were tested. Due to the particular characteristics of each of the sludges, in terms of acid buffering capacity or electrical conductivity, different operational conditions were necessary to enhance the electrokinetic treatment. The results established that for metal remediation of wastes with low acid buffering capacity, such as SM sludge, pH control in the cathode chamber could be an alternative to enhance the electrokinetic technique. The best metal removal results (around 66% Mn) were obtained when sulphuric acid was used to control the pH. Then, to remediate sludges with high acid buffering capacity, such as SIS sludge, pH control in electrode chambers was an inefficient technique and the addition of complexing agents was the best alternative for the electrokinetic process. The extraction assays established that EDTA and citric acid were adequate enhancement agents. However, in the electrokinetic experiments, the use of EDTA as enhancement agent gave the best remediation values with Pb removal of 75%. The results obtained in the present work demonstrate that the electrokinetic technique could be enhanced by the selection of an adequate strategy that depends on the physical-chemical characteristics of the sludges to treat.
Hybrid Control Strategy for Force and Precise End Effector Positioning of a Twisted String Actuator

In this article, we propose a new control approach for the twisted string actuation system; a hybrid control scheme consisting of two nested loops, considering the motor angle and the axial force at the clamping point of the actuator as the system outputs. We show that measuring the axial force at the base of the actuator, we can effectively estimate and compensate the coupling torque between the motor and the external load. Then, compensation of the coupling torque allows formulating a linear control law to control the angular position of the actuator and, at the same time, implement an external control loop to regulate the force applied by the actuator. Simulated and experimental results validate the proposed original control scheme. Furthermore, we highlight the contributions of this article in the broader context of control of twisted string actuators.
Shape‐dependent molecular polarizabilities

In a series of papers we have considered the overall effects of geometrical shape on molecular electronic properties. Molecules are mapped into ellipsoids, based on tabulated bond lengths and van der Waals radii. The main advantage of the approach is to make predictions of the influence of shape itself on important physical properties and their trends, particularly for systems which are computationally difficult or time-consuming. The results include insight into the effect of shape on molecular stopping anisotropy, stopping in ultra-thin films, and anisotropic Compton profiles. In this paper we extend the treatment to polarizability anisotropies and to the scaling of the polarizability of long objects in terms of the number of basic building blocks. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001
Rigorous Franck–Condon absorption and emission spectra of conjugated oligomers from quantum chemistry

A harmonic Condon approach is used to calculate excitation and emission band shapes for the lowest dipole-allowed electronic transitions in conjugated oligomers: polyenes, oligorylenes, and para-phenylenevinylenes. Ground- and excited-state adiabatic energies, equilibrium structures, and vibrational modes are obtained within standard all-valence-electron molecular Hamiltonian incorporating extended configuration interaction. The interstate distortion is cast in normal coordinates and used to calculate transition probabilities from the zero-phonon initial state to the vibrational manifold of the final state. Spectral profiles are obtained as a superposition of Lorentzian line shapes. Theoretical band shapes reproduce prominent features in the absorption and fluorescence spectra of the oligomers in question. The strength of the bond-stretching vibronic progression increases with oligomeric length in polyenes, but decreases in para-phenylenevinylenes. In line with experiment, absorption and emission band sha.
Studies on thermal and dielectric properties of ether linked cyclohexyl diamine (ELCD)-based polyimide POSS nanocomposites (POSS-PI)

Polyhedral oligomeric silsesquioxane (POSS)-polyimide (PI) hybrid nanocomposites were prepared from ether linked cyclohexyl diamine (ELCD)-modified polyamic acid with POSS derivative of octaaminophenylsilsesquioxane (OAPS). Polyamic acid (PAA) was prepared by reacting ELCD with pryomelletic dianhydride (PMDA) in 1-methyl-2-pyrrolidone (NMP) medium. The PAA reacted with varying weight percentages of OAPS and undergoes thermal imidization to form POSS-PI nanocomposites upon heating. The formation of hybrid nanocomposites was confirmed with Fourier transform infrared spectra. The thermal and dielectric properties of POSS-PI nanocomposites were characterized by using differential scanning calorimetry, thermogravimetric analysis and an impedance analyzer. Morphology of the nanocomposites was studied by using scanning electron microscopy. Data from thermal studies indicated that the incorporation of POSS in to PI substantially enhanced the glass transition temperature (T g), thermal stability and char yield of hybrid nanocomposites in comparison with those of neat PI. From the dielectric studies it was inferred that the increasing percentage concentration of OAPS into the PI network exhibits a decreasing trend in the values of dielectric constant when compared with those of neat PI.
Scheduling of actual size refinery processes considering environmental impacts with multiobjective optimization

This paper deals with the scheduling problem of refinery processes considering environmental impacts. To keep abreast of rapidly changing business circumstances, the effective scheduling of the objective of which is to maximize the total profit is absolutely needed for large-scale plants such as refinery processes. In addition, companies cannot avoid making an effort to reduce environmental impacts because now people have a much better understanding of the environment. However, the two objectives mentioned above are conflicting. There is no way to maximize the total profit and minimize environmental impacts simultaneously, but a tradeoff exists. In this case, the best way is to obtain Pareto optimal solutions by multiobjective optimization. Plotting Pareto optimal solutions, decision makers are able to know the correlation between the two objectives. The selection of one of the Pareto optimal solutions depends largely on the decision makers. In this paper, a mixed-integer linear programming model is devel.
X-Ray Magnetic Dichroism in the Cobalt-Doped Indium Tin Oxide from First Principle Calculations

The electronic structure of the Co-doped indium tin oxide (ITO) diluted magnetic semiconductors (DMSs) were investigated theoretically from first principles, using the fully relativistic Dirac linear muffin-tin orbital band structure method. The X-ray absorption spectra (XAS) and X-ray magnetic circular dichroism (XMCD) spectra at the Co , In , Sn , and O edges were investigated theoretically from first principles. The origin of the XMCD spectra in these compounds was examined. The calculated results are compared with available experimental data.