Miracle-dz/UniFAR-FTUs huggingface dataset:
MCM-48 Supported Tungstophosphoric Acid: An Efficient Catalyst for the Esterification of Long-Chain Fatty Acids and Alcohols in Supercritical Carbon Dioxide

Tungstophosphoric acid (HPW) and MCM-48-supported HPW catalysts are potential catalysts for the esterification of long-chain fatty acids and alcohols in supercritical CO2 medium even at low temperature (100 °C) and a short reaction period (6 h). The high performances of HPW in sc-CO2 medium are due to the effective mass transfer of reactants and products for the catalysis under the conditions. The yields of esters were enhanced with the increase in the chain length of acids and alcohols in the esterification in sc-CO2 medium. The MCM-48-supported HPW catalysts were active even after several recycle experiments.
Solid‐Phase Synthesis of 5′‐O‐[N‐(Acyl)sulfamoyl]adenosine Derivatives

The solid-phase synthesis of 5'-O-[N-(acyl)sulfamoyl]adenosine derivatives is described. The use of a Rink amide polystyrene solid support together with an appropriately protected ribo-purine starting material allowed for the development of a highly reliable and practical route for the solid-phase synthesis of 5'-O-[N-(acyl)sulfamoyl]adenosines. The developed procedure enables the efficient parallel synthesis of the target compounds in high yields. These compounds are non-hydrolysable isosteres of acyl-adenylates, which play an important role in a range of different metabolic pathways such as ribosomal and non-ribosomal peptide synthesis, fatty acid oxidation or enzyme regulation; some adenylate-forming enzymes are potential drug targets.
Comparison of three‐dimensional imaging properties between two‐photon and single‐photon fluorescence microscopy

The imaging performance in single‐photon (1‐p) and two‐photon (2‐p) fluorescence microscopy is described. Both confocal and conventional systems are compared in terms of the three‐dimensional (3‐D) point spread function and the 3‐D optical transfer function. Images of fluorescent sharp edges and layers are modelled, giving resolution in transverse and axial directions. A comparison of the imaging properties is also given for a 4Pi confocal system. Confocal 2‐p 4Pi fluorescence microscopy gives the best axial resolution in the sense that its 3‐D optical transfer function has the strongest response along the axial direction.
Theoretical prediction of phase behaviour at high temperatures and pressures for non-polar mixtures. Part 3.—Comparison with upper critical solution temperatures for perfluoromethylcyclohexane + hydrocarbons

The upper critical solution temperatures of perfluoromethylcyclohexane + n-alkanes (C5 to C15) have been measured. The results have been compared with the van der Waals one fluid model using the Guggenheim equation of state and employing the technique for solving the criticality conditions described previously. The energy parameter, ξ, defined by the equation ξ=Tc12/(Tc11Tc22)½(where Tcij is the energy reducing parameter characterising interactions between molecules of species i and j) needed to fit the experimental UCST data have been calculated. The value of ξ is always less than unity and decreases with an increase in the chain length of the n-alkane. Similar trends have been previously observed for values of ξ obtained from gas–liquid critical points of mixtures of hexafluorobenzene + n-alkanes and perfluoron-heptane + n-alkanes. Possible explanations of such trends are suggested.
The lattice dynamics of ionic and covalent crystal

First-order perturbation theory is used to derive the equations governing the normal inodes of vibrations of a crystal in which the atoms are polarizable. The method is based on the harmonic, electrostatic and adiabatic approximations, it is thus assumed that all phonon frequencies are much lower than the frequencies of electron transitions; the results therefore do not apply to metals. In the dipolar approximation the equations derived are found to be identical with those which have been obtained for the `shell model ’ of a crystal, and which are known to give results in rather good agreement with the measured dispersion relations for phonons in germanium and sodium iodide. The method is extended to include the interaction of quadrupole and higher moments of the electron distribution of anatom or ion.
Calculation of Activation Energy of Degradation of Polyaniline-Dodecylbenzene Sulfonic Acid Salts via TGA

This paper presents a study on the determination of thermal stability of highly thermally stable polyaniline-dodecylbenzenesulfonic acid (PANI-DBSA) salts using thermogravimetric analysis. This technique was also used to calculate energy of activation (Ea) for the degradation of polymer using Horwitz & Metzger, Coats & Redfern and Chan et al. methods. The results showed that the synthesized polymer is highly stable even upto 500 C0 (so far highest reported temperature for stability of polyanile). Previ-ously the synthesis of PANI-DBSA was carried out via inverse polymerization following a novel pathway. Further characterization of the synthesized materials was done with the help of UV-Vis spectroscopy and XRD.
19F Dynamic Nuclear Polarization and SEM in Suspensions Consisting of Fluorobenzene Derivatives and Asphaltene Extracted from MC-800 Liquid Asphalt

A variety of analytical techniques, such as scanning electron microscopy and 19F dynamic nuclear polarization (DNP) methods, are applied to characterize asphaltene extracted from MC-800 liquid asphalt in fluorobenzene derivatives at 1.53 mT and at room temperature. Different solvents show variable affinities for the asphaltene surface. The low field EPR spectrum of the asphaltene/hexafluorobenzene sample was recorded. The DNP parameters were determined. Additionally, the interactions between the nuclei of the solvent and the electrons delocalized on the asphaltene are interpreted. Not only dipolar but also scalar interactions between the nuclear spin and the electron spin were found.
Nanosensors: design and application to site-specific cellular analyses

We report the development and application of an antibody-based nanoprobe for in situ measurements within a single cell. The nanoprobe has an antibody-based probe targeted to benzopyrene tetrol (BPT), a metabolite of the carcinogen benzo[a]pyrene (BaP) and the BaP-DNA adduct. Detection of BPT is of biomedical interest since this species can potentially serve as a biomarker for the monitoring of DNA damage due to BaP exposure and for possible pre-cancer diagnoses. The measurements were performed on the rat liver epithelial Clone 9 cell line, which was used as the model cell system. Nanoprobes were inserted into individual cells, incubated five minutes to allow antigen-antibody binding, and then removed for fluorescence detection. Prior to measurements, the cells had been treated with BPT. A concentration of 9.6 +/- 0.2 x 10-11 M has been determined for BPT in the individual cells investigated. The results demonstrate the possibility of in situ measurements inside a single cell using an antibody-based nanoprobe.
Artabotrys oliganthus Engl. & Diels from Ivory Coast: Composition of Leaf, Stem Bark and Fruit Oils

Abstract The composition of essential oil isolated from leaves, stem bark and fruits of Artabotrys oliganthus Engl. & Diels growing wild in Ivory Coast, was investigated by GC (retention indices) and 13C NMR. The oils were found to contain mostly monoterpene hydrocarbons. The composition of leaf and stem bark oil was dominated by Δ-3-carene (60.2 % and 57.2 %, respectively). Conversely, myrcene (59.2 %) was by far the major component of the fruit oil (Δ-3-carene: 16.3 %).
A Metal-Organic Framework Constructed of 1,2-Di(pyridin-4-yl)ethyne, Terephthalic Acid, and Zinc(II) Nitrate

A metal-organic framework (MOF) was prepared from 1,2-di(pyridin-4-yl)ethyne, terephthalic acid and zinc(II) nitrate in dimethylformamide, water and ethanol at 80 °C. The cavities of the MOF are occupied by disordered molecules of dimethylformamide. The crystals are monoclinic, space group P21/c with Z = 4. Graphical Abstract A Metal-Organic Framework Constructed of 1,2-Di(pyridin-4-yl)ethyne, Terephthalic Acid, and Zinc(II) Nitrate
Study of the electropositive to electronegative sheath transition in weakly ionized plasmas

In this paper, we studied the electropositive to electronegative sheath transition in a weakly ionized plasma and the mathematical condition that describes it. This condition is derived from the Bohm criterion in a two-scale formalism. We show that this transition is characterized by the formation of a triple layer structure in the sheath. Finally, we analyze the sheath thickness as a function of the temperature and density of the negative ions, i.e. for different values of plasma electronegativity. We prove that this sheath thickness has a universal dependence on the ionization rate, due to the universality of the Bohm criterion. When the plasma goes from electropositive to electronegative behavior, it continuously varies even though the sheath edge and its corresponding electric potential displays a discontinuity.
Measurement of rotational temperature, vibrational temperature, and molecular concentration, in nonradiating flows of low density nitrogen

Abstract : A method was developed for measuring rotational temperature, vibrational temperature, and molecule concentration, in nonradiating flows of low density nitrogen. The method involves the passing of a narrow beam of high energy electrons through the flow. The beam electrons excite a relatively strong emission from the first negative system of the nitrogen molecular ion N2(+). The rotational and vibrational temperatures, as well as number density, of the ground state nitrogen molecules can be inferred from observations of the beam excited first negative system. Particular emphasis was placed on the measurement of rotational temperature. A theoretical prediction was made of the relative intensities of the rotational lines in the first negative system. The prediction of the relative intensities, as a function of the rotational temperature of the ground state molecules, was checked experimentally and found to apply to within the accuracy of the experiments (+ or -2% for rotational temperature measurements). (Author)
Low doses of vanadyl sulfate protect rats from lipid peroxidation and hypertriglyceridemic effects of fructose-enriched diet

Background: Insulin resistance, hyperinsulinemia and disturbances in lipid metabolism can be produced in healthy rats by feeding them a fructose-enriched diet. Vanadyl sulfate, an antidiabetic trace element, enhances insulin sensitivity in type 2 diabetic patients. The aim of this study was to determine the effect of vanadyl sulfate treatment (0.2 mg/ml in drinking water for 7 days) on plasma insulin, triglyceride concentration and plasma lipid peroxidation in rats that were fed a fructoseenriched diet that leads to insulin resistance. Methods: Male Wistar rats were divided into four groups: fructose-fed rats (FF); vanadyl sulfate treated-fructose fed treated rats (FV); control rats (C); and vanadyl sulfate-treated control rats (CV). Control and vanadyl sulfate-treated control rats were fed with standard laboratory chow. Results: High fructose feeding resulted in hyperinsulinemia and hypertriglyceridemia, and the plasma lipid peroxidation marker TBARS (thiobarbituric acid reactive substances) was significantly elevated. Administration of vanadyl sulfate was associated with significant normalization of plasma insulin and triglyceride levels. These rats also showed significantly lower TBARS than untreated, fructose-fed rats. Conclusion: We conclude that enhanced lipid peroxidation occurs in addition to hypertriglyceridemia in fructose-fed rats. It is suggested that lipid peroxidation associated with hypertriglyceridemia may be responsible for the pathologies induced by high fructose consumption. The plasma insulin level probably contributes to this increased peroxidation. Improved insulin action in fructose-fed vanadyl sulfate treated rats could be responsible for the amelioration of those abnormalities induced by fructose feeding. (Int J Diabetes Metab 14: 134-137, 2006)
Quantifying the contributions to stratospheric ozone changes from ozone depleting substances and greenhouse gases

Abstract. A state-of-the-art chemistry climate model coupled to a three-dimensional ocean model is used to produce three experiments, all seamlessly covering the period 1950–2100, forced by different combinations of long-lived Greenhouse Gases (GHGs) and Ozone Depleting Substances (ODSs). The experiments are designed to quantify the separate effects of GHGs and ODSs on the evolution of ozone, as well as the extent to which these effects are independent of each other, by alternately holding one set of these two forcings constant in combination with a third experiment where both ODSs and GHGs vary. We estimate that up to the year 2000 the net decrease in the column amount of ozone above 20 hPa is approximately 75% of the decrease that can be attributed to ODSs due to the offsetting effects of cooling by increased CO2. Over the 21st century, as ODSs decrease, continued cooling from CO2 is projected to account for more than 50% of the projected increase in ozone above 20 hPa. Changes in ozone below 20 hPa show a redistribution of ozone from tropical to extra-tropical latitudes with an increase in the Brewer-Dobson circulation. In addition to a latitudinal redistribution of ozone, we find that the globally averaged column amount of ozone below 20 hPa decreases over the 21st century, which significantly mitigates the effect of upper stratospheric cooling on total column ozone. Analysis by linear regression shows that the recovery of ozone from the effects of ODSs generally follows the decline in reactive chlorine and bromine levels, with the exception of the lower polar stratosphere where recovery of ozone in the second half of the 21st century is slower than would be indicated by the decline in reactive chlorine and bromine concentrations. These results also reveal the degree to which GHG-related effects mute the chemical effects of N2O on ozone in the standard future scenario used for the WMO Ozone Assessment. Increases in the residual circulation of the atmosphere and chemical effects from CO2 cooling more than halve the increase in reactive nitrogen in the mid to upper stratosphere that results from the specified increase in N2O between 1950 and 2100.
Ribonucleotide Electrolytes for Capillary Electrophoresis of Polyphosphates and Polyphosphonates with Indirect Photometric Detection

Ribonucleotide electrolytes, namely adenosine, cytidine, guanosine, and uridine monophosphates (AMP, CMP, GMP, and UMP), are investigated for capillary electrophoresis (CE) with indirect photometric detection (IPD) of polyphosphates (PR) and polyphosphonates (RPR). A separation of 12 PR and RPR components in about 30 min using 5 mM ribonucleotide with 2 mM diethylenetriamine as electroosmotic flow suppressor with negative polarity CE is possible. Although all of the ribonucleotide monophosphates seem to provide reasonable selectivity, AMP is the best electrolyte because of its high molar absorptivity, large dynamic reserve, and favorable transfer ratio required for a sensitive IPD. However, the quality of separation for some P n (particularly P 3 - and P 4 -phosphates) can be dramatically improved by incorporating Mg 2+ in the running buffer with positive polarity. Detection limits for PR and RPR range from 0.84 to 11 μM, quite comparable to those obtained with commonly used HPLC methods. The reproducibility of the migration time is between 0.5 and 1.0% RSD. One pratical application is the determination of phosphates and phosphonates in soap and various brands of toothpaste. The quantitation of glyphosate and aminomethylphosphonic acid in a commmercial herbicide is performed with an average relative error of 1.6%. The developed CE method could be applied routinely for the analysis of samples having phosphorus-containing polyvalent anions
ANALYSIS OF WOOD CELLULOSE MECHANICAL DEGRADATION DURING BEATING PROCESS

Dependence of wood cellulose degradation rate on the size reduction method (PFI mill, Valley beater) is monitored. Size Exclusion Chromatography and viscometry method were applied to measure the cellulose polymerisation degree. The highest cellulose degradation degree (mean molecular mass ca. 200 KDa) and the highest value of reaction rate constant (69*10-8s-1) were reached after using PFI mill. It was revealed that polymerisation degree of cellulose subjected to a beating process depends on the content of primary and secondary minute fraction (so called krill). Size Exclusion Chromatography and viscometric method were used to determine the polymerisation degree of cellulose.
Water‐assisted formation of honeycomb films of poly(L‐lactic‐co‐glycolic acid)

The ordered honeycomb structures of poly(L-lactic-co-glycolic acid) and poly(D,L-lactic-co-glycolic acid) fabricated in a humid atmosphere were reported in this paper. It was found that surfactants were important in the formation of honeycomb films of hydrophobic polymer. The affecting factors, such as the environment temperature, the atmosphere humidity, and the concentration of the polymer solution of the honeycomb porous structure, were also tested. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 100: 1013–1018, 2006
Dispersion polymerization of styrene in polar solvents: Effect of reaction parameters on microsphere surface composition and surface properties, size and size distribution, and molecular weight

Polystyrene microspheres were prepared by dispersion polymerization of styrene in a mixture of ethanol and 2-methoxy ethanol. Surface characterization of the formed particles was performed by x-ray photoelectron spectroscopy and critical surface tension measurements. The influence of different reaction parameters, i.e., monomer concentration, stabilizer type (polyvinylpyrrolidone, copolymers of vinylpyrrolidone and vinylacetate and polyvinylace tate), stabilizer concentration and molecular weight, and initiator type and concentration, on the molecular weight and on the size and size distribution of the formed polystyrene microspheres was investigated. The correlation between the surface composition and wett ability properties of the particles surface and their size and size distribution was also demonstrated. © 1996 John Wiley & Sons, Inc. J Polym Sci A: Polym Chem 34:1857–1871, 1996
Electrochemical Behavior of Calcein and the Interaction Between Calcein and DNA

The electrochemical behavior of calcein (CA) has been investigated by using a conductive carbon black paste electrode (CCBPE) as working electrode. It exhibits a single well-defined redox peak in phosphate buffered saline in the range of pH 5.5–8.0, which attributes to the irreversible oxidation with 2 electrons and 2 protons participation. Under the optimized analytical conditions, the proposed linear sweep voltammetry (LSV) method allows the determination of CA in a linear concentration range of 0.64–9.60 mM, with a limit of detection of 0.32 mM. Further, the interaction between CA and DNA were studied by voltammetric and spectrometric methods. Both studies have shown that CA can bind to DNA by the intercalation binding mode. Under the present experimental condition, the binding constant b of CA and dsDNA is 1.10 � 10 7 . Meanwhile, in the loop-mediated isothermal amplification (LAMP) reaction mixture there is obvious interaction between CA and dsDNA, resulting in a nonignorable decrease of the indicating sensitivity.
An Anisotropic Modeling of the Visco-hyperelastic Behaviour of PET under ISBM Process Conditions

The mechanical behaviour of Polyethylene Terephthalate (PET) under the severe loading conditions of the injection stretch blow moulding (ISBM) process is strongly dependent on strain rate, strain and temperature. In this process, the PET near the glass transition temperature (Tg) shows a strongly non linear elastic and viscous behaviour. In author's previous works, a non linear visco-hyperelastic model has been identified from equi-biaxial tension experimental results. In this work, the proposed non linear visco-hyperelastic model is implemented into the Abaqus environment and used to model the equal-biaxial tension tests. Despite the good agreement with biaxial test results, the model fails to reproduce the shape evolution during the free blowing of preforms. An anisotropic version of this visco-hyperelastic model is proposed and the free blowing simulation is compared with the experimental results managed in Queen's University Belfast.
Synthesis of model linear tetrablock quaterpolymers and pentablock quintopolymers of ethylene oxide

Multiblock copolymers of ethylene oxide, with four and five different blocks, were synthesized by the sequential anionic polymerization of styrene, isoprene, 2-vinyl pyridine, t-butyl methacrylate, and ethylene oxide with benzyl potassium as an initiator. The monomer sequence was based on the relative nucleophilicity of the active centers. Characterization of the multiblock copolymers by size exclusion chromatography (with refractive-index and UV detectors), membrane osmometry, and NMR spectroscopy confirmed that benzyl potassium is an efficient initiator for the synthesis of well-defined multiblock multicomponent copolymers of ethylene oxide. © 2002 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 40: 2166–2170, 2002
EffEctivEnEss of fungicidEs and an EssEntial-oil-basEd product in thE control of grEy mould disEasE in raspbErry

TanoviC, B. , J. HrusTiC, M. GraHovaC, M. MiHaJloviC, G. DeliBasiC, M. KosTiC and D. inDiC, 2012. effectiveness of fungicides and an essential-oil-based product in the control of grey mould disease in raspberry. Bulg. J. Agric. Sci . , 18: 689-695 Field experiments were conducted in two commercial raspberry fields to evaluate effectiveness of some fungicides and an essential oil based product in the control of Botrytis fruit rot. The experiments consisted of four fungicides - fenhexamid, vinclozolin, benomyl, and pyrimethanil, two essential oil product treatments (0.5% and 1% emulsion) and untreated control, in randomized block design with four replicates per treatment. afterwards, the pathogen was isolated from infected fruits and identified based on colonial and conidial morphology. Sensitivity of 10 randomly chosen isolates to all mentioned fungicides and tea tree oil was determined in radial growth assay on PDa supplemented with a range of concentrations of the relevant product. At both localities, the highest efficacy was achieved by pyrimethanil (97.4% and 98.2%) and fenhexamid (93.6% and 97.6%), while the efficacy of tea tree oil, applied at both concentrations, was less than satisfactory and ranged from 13.3% to 55.9% compared to the control. In vitro sensitivity of B. cinerea was determined based on values which ranged between: 0.14 mg/l and 0.20 mg/l for vinclozolin, 0.16 mg/l and 0.46 mg/l for benomyl, 0.22 mg/l and 3.81 mg/l for pyrimethanil, 0.06
Enantioselective binding of α‐pinene and of some cyclohexanetriol derivatives by cyclodextrin hosts: A molecular modeling study

We have used molecular modeling to investigate the enantioselective separation of the monoterpene α‐pinene on permethylated β‐cyclodextrin and on α‐cyclodextrin and the enantioselective separation of three cyclohexanetriol derivatives on permethylated β‐cyclodextrin. Using the Consistent Valence Force Field (CVFF) from Insight/Discover, we have carried out systematic rigid‐body docking grid searches on each of the optical antipodes of the organic guest molecules interacting with the cyclodextrins, followed by minimizations of the low‐energy docked structures. A statistical mechanical analysis of the minimized energies yields data that agree in four out of five cases with the experimental elution order of enantiomers. The computed energies of the rigid‐body docking before minimizations do not agree with the experimental results, suggesting that a conformational induced fit of the cyclodextrins upon binding of the organic guests may be involved in the mechanism of the chiral recognition. © 1996 by John Wiley & Sons, Inc.