Miracle-dz/UniFAR-FTUs huggingface dataset:
Visible, near‐infrared, and ultraviolet laser‐excited Raman spectroscopy of the monocytes/macrophages (U937) cells

Raman spectra of the monocytes were recorded with laser excitation at 532, 785, 830, and 244 nm. The measurements of the Raman spectra of monocytes excited with visible, near-infrared (NIR), and ultraviolet (UV) lasers lad to the following conclusions. (1) The Raman peak pattern of the monocytes can be easily distinguished from those of HeLa and yeast cells; (2) Positions of the Raman peaks of the dried cell are in coincidence with those of the monocytes in a culture cell media. However, the relative intensities of the peaks are changed: the peak centered around 1045 cm−1 is strongly intensified. (3) Raman spectra of the dead monocytes are similar to those of living cells with only one exception: the Raman peak centered around 1004 cm−1 associated with breathing mode of phenylalanine is strongly intensified. The Raman spectra of monocytes excited with 244-nm UV laser were measured on cells in a cell culture medium. A peak centered at 1485 cm−1 dominates the UV Raman spectra of monocytes. The ratio I1574/I1613 for monocytes is found to be around 0.71. This number reflects the ratio between proteins and DNA content inside a cell and it is found to be twice as high as that of E. coli and 5 times as high as that of gram-positive bacteria. Copyright © 2009 John Wiley & Sons, Ltd.
Regioselective Synthesis ofBromo-Substituted 3-Arylcoumarins

Regioselective syntheses of 3-arylcoumarins possessing a bromine substituent either on the 3-aryl ring, the coumarin moiety or on a lateral chain of a coumarin is reported. The regioselectivity is influenced by the substituents present in the substrates. Two different bromination methods are described and compared. Perkin condensation of 5-methylsalicylaldehyde and phenylacetic acid or para-methoxyphenylacetic acid affords the desired coumarins. Three different bromine substitution patterns are accessed starting from 5-methylsalicylaldehyde.
Femtosecond pulse S on 1 LIDT in dielectric materials: comparison of experiment and theory

The multiple-pulse laser-induced breakdown behavior of dielectrics is modeled. The model is based on a critical conduction band (CB) electron density leading to dielectric breakdown. The evolution of the CB electron density during the pulse train is calculated using rate equations for the occupation and ionization of band and midgap states (native and laser induced). Using realistic estimations for the trap density and ionization cross-section, the model is able to reproduce the experimentally observed drop in the multiple-pulse damage threshold relative to the single-pulse value, as long as the CB electron density is controlled primarily by avalanche ionization seeded by multiphoton ionization of the traps and the valence band. The model shows that at long pulse duration, the breakdown threshold becomes more sensitive to presence of traps close (within one photon energy) to the conduction band. The effect of native and laser-induced defects can be distinguished by their saturation behavior. The model explains the principal behavior of the LIDT of a pair of pulses as a function of the temporal separation. Using the model, the observed transients can be related to rate constants of electrons leaving the CB and midgap states.
Ultrasound-assisted extraction for mercury speciation by the flow injection-cold vapor technique

A simple and rapid ultrasound-assisted extraction method with hydrochloric acid for mercury speciation in fish tissues was developed. Centrifuged extracts were directly injected into a flow injection-cold vapor atomic absorption spectrometry system. First, methylmercury was separately determined using sodium tetrahydroborate as reducing agent after selective extraction with 2 mol dm –3 hydrochloric acid. Second, inorganic mercury was determined by selective reduction with stannous chloride in 5 mol dm –3 hydrochloric acid extracts containing both mercury species. Total mercury could not be determined in the sonicated acid extracts using sodium tetrahydroborate as reducing agent because the methylmercury and inorganic mercury sensitivities were different. The detection limit was 11 and 5 ng g –1 for methylmercury and inorganic mercury, respectively. The recovery was >92% and the precision (RSD) ranged from 5 to 10% for three replicates of each sample analyzed by the standard additions method. Total mercury, calculated as the sum of methylmercury and inorganic mercury, was in agreement with the total mercury content determined after microwave digestion. The method was validated by means of three fish certified reference materials. The concentrations found were in good agreement with the certified values.
Observations of Nano-CN in the Nocturnal Boreal Forest

New particle formation has been proposed to happen via activation of nanometer-sized condensation nuclei (nano-CN), which can be large molecules or molecular clusters. Electrically neutral nano-CN have mostly been outside the measurement range until recently. To address the concentrations and plausible chemical composition of the nano-CN, we measured the neutral particle size distribution down to mobility diameter ∼1.3 nm with a pulse-height CPC in Hyytiälä, southern Finland during springs 2007–2009. We also performed laboratory experiments with variable concentrations of precursors and oxidants in order to reproduce the atmospheric observations. The atmospheric nano-CN data were compared to ion size distributions (∼0.8–7.5 nm) measured with a BSMA ion spectrometer, and the mass spectra of natural ions detected with an APi-TOF mass spectrometer. We detected elevated concentrations of nano-CN, especially in the nocturnal boundary layer. However, the night-time nano-CN did not grow to sizes larger than a few nanometers. High temperature favored these night-time events, and the nano-CN concentration correlated well with the oxidation products of monoterpenes. The night-time negative ion mass spectra were dominated by large oxidized organic molecules and also the flow tube experiments support the idea that the nano-CN consist mostly of oxidized organic molecules. Nights with elevated neutral nano-CN concentration also showed enhanced concentrations of charged sulphuric acid monomer and dimer compared to other nights. However, all of the observed nano-CN does not necessarily participate to the atmospheric new particle formation process.
Syntheses of tadpole- and eight-shaped polystyrenes using cyclic polystyrene as a building block

The intramolecular cyclization of α-carboxyl, ω-amino heterodifunctional polystyrene was carried out to obtain cyclic polystyrene having an amide moiety in the main chain. The amide moiety was reduced with lithium aluminum hydride to give macrocyclic amine. The reactions of the macrocyclic amine with carboxylic-terminated polystyrene and glutaric acid gave tadpole- and eight-shaped polystyrenes, respectively. These macromolecular architectures were characterized by NMR, IR, and GPC analysis.
Oligoelectrolyte Model for Cation Binding by Humic Substances

An oligoelectrolyte model of humic substances is developed to explain ionic strength effects on copper and hydrogen ion titrations. After discussing the relevance of various polyelectrolyte models to humic substances, we choose a model in which the molecules are represented as impenetrable spheres. The electrostatic effect is calculated using numerical solutions of the appropriate nonlinear Poisson-Boltzmann equation. Incorporation of available data on molecular weight distribution, size, and functional group content of humic substances reduces the number of arbitrary fitting parameters
Effect of Particle Size on Direct Compaction of Urea Fertilizer

The effect of particle size on compaction properties and characteristics of urea tablets manufactured from available urea granules (TG tablets) and ground urea powders (TP tablets) was investigated. The compaction properties, namely, plastic work, elastic work, friction work, and maximum ejection pressure were analyzed from the force-displacement profile of the compaction process. Five applied pressures ranging between 37.67 MPa and 188.35 MPa were used to compact the materials using a universal testing machine. Characteristics of the tablets tested were mechanical strength and the release of ammonium ion through dissolution test. The results demonstrated that TG tablets underwent high plastic work and elastic work but low friction work compared to the TP tablets. TG tablets released lower amount of ammonium ion compared to the TP tablets at almost all applied pressures, except at 75.34 MPa. This study provides a valuable data for evaluating the behavior of urea in the form of granules and powders during the compaction process as well as the suitability in choosing the form of raw material for the production of urea tablets.
Validity of the function counterpoise method: results from the complete fourth-order MBPT calculations

The validity of the function counterpoise (CP) correction method for the basis set superposition error (BSSE) is tested by ab initio calculation of the Ne-Ne interaction energy at the level of the complete fourth-order MOller-Plesset perturbation theory. The scheme of the test procedure is briefly introduced. The results of this calculation support the CP method. The related issues such as BSSE and the basis set for the calculation of intermolecular potentials are discussed
Dual Optimization Strategy for N and P Removal in a Biological Wastewater Treatment Plant

A systematic approach is proposed to find optimal operational conditions for nitrogen and phosphorus (N, P) removal in a biological nutrient removal process. The approach is a dual optimization strategy using modeling, variable selection, design of experiments, and optimization with multiple response surface methodology. The study focused on determining interactive effects between independent variables for N and P removal, which were selected through a new sensitivity analysis considering the effluent quality index. After selecting key operational variables, a multiple response surface model based on a new desirability function was used for the dual optimization of both N and P removal. The proposed method was applied to a standard A 2 0 process and obtained the optimized removal efficiencies of 78.0% and 80.0% for N and P, respectively. This study confirmed that the proposed dual optimization method was useful to systematically optimize N and P removal in a biological nutrient removal process and also can be applied to any other biological processes.
Nonsaturable absorption in alumino-silicate bismuth-doped fibers

We report an experimental and theoretical investigation of fluorescence decay and transmission coefficient at ∼1 μm pumping for a series of bismuth (Bi) doped alumino-silicate fibers with different concentrations of Bi centers. By modeling the experimental data, we show that the excited-state absorption (ESA) and up-conversion (UC) processes are responsible for a growth of nonsaturable absorption and deviation from exponential the fluorescence decay in the fibers with an increase in Bi centers content. Assuming that Bi centers ensemble is composed of subsystems of single and paired centers, and an increase in partial weight of the latter with a Bi centers concentration growth, we can successfully explain the experimental data. Also, these assumptions allow us to estimate the constants characterizing the ESA and both homogeneous and inhomogeneous UC processes in the fibers.
The Effects of Diesel-Ethanol Blends on Diesel Engine Performance

The performance of a variable compression ratio compression ignition engine operating on ethanol-diesel fuel blends has been evaluated experimentally. We aimed to determine the optimum percentage of ethanol and the compression ratio of the engine that give the best performance and efficiency at the same time. The engine was operated with ethanol-diesel fuel blends having 2, 4, and 6% ethanol on a volume basis as well as on diesel fuel alone. The experiments were performed for the compression ratios of 19, 21, and 23. Experimental results indicate that the addition of 4% ethanol to diesel fuel increases power output and efficiency of the engine while it decreases specific fuel consumption for various compression ratios. The best efficiency was attained at the compression ratio of 21 with an increment ratio over 3.5%.
Size distribution and activity of marine microheterotrophs1

Natural populations of marine heterotrophic microorganisms in a variety of water masses were size fractionated with Nuclepore filters in a range of pore diameters of 0.1-8 . mu.m. About 90 percent of the heterotrophic assimilation of /sup 3/H-labeled substrates (D-glucose, acetate, and L-serine) was by organisms that pass through 1-. mu.m filters; essentially all heterotrophic activity was by organisms passing through 5-. mu.m filters. The 1-. mu.m filterable fraction contained bacteria and, in some seawater samples, microflagellates. About 90 percent of the microbial heterotrophic activity in the seawater samples examined was due to those microorganisms (presumably bacteria) that are unattached to larger particulate material.
Types of Dependence of Self-Diffusivity on Sorbate Concentration in Parameter Space: A Two-Dimensional Lattice Gas Study

The various factors that influence the dependence of self-diffusivity D on sorbate concentration c has been investigated by means of lattice gas model. Among the parameters varied are the activation energy, the temperature, the number of adsorption sites, and the pattern of adsorption sites. It is shown that the five types of D vs c dependence observed by Karger and Pfeifer based on the PFG-NMR experiments on a variety of guest-zeolite systems can be understood in terms of the variation of just a few parameters. A self-diffusivity type diagram showing under what conditions a given type is found has been constructed. It is shown that even the approximate lattice gas treatment can reasonably predict the D vs c behavior of a number of guest-zeolite systems besides giving insight into why a particular behavior is observed.
Characterization of simple photoresponsive systems and their applications to metal ion transport

Some new photoresponsive azobenzenes (1–5) have been synthesized and characterized. On irradiation at 330 nm these systems undergo conversion from the E to the Z form to a varying extent which depends upon the nature and position of substitution on the azobenzene rings. They revert back to the E form on thermal isomerization in the dark. Photochemical equilibria have been studied and compared in acetonitrile and o-dichlorobenzene; E forms are stabilized more in o-dichlorobenzene than in acetonitrile. Two of the molecules (1 and 4) show enhanced transport of Cu2+ ions across a liquid membrane on irradiation.
Brazilian Journal of Chemical Engineering ANTIMICROBIAL ANALYSIS OF FILMS PROCESSED FROM CHITOSAN AND N , N , N-TRIMETHYLCHITOSAN

Chitosan and its derivatives have been proposed as bactericidal and fungicidal agents against a large numbers of gram-negative and gram-positive bacteria and fungi. Some antimicrobial mechanisms have been proposed for chitosan, with the most widely acceptable being the presence of charged-NH3 groups in the polymer backbone and its interactions with the bacterial wall constituents. Since this mechanism is based on an electrostatic interaction, it suggests that the greater the number of cationic amines, the higher will be the antimicrobial activity. So, in the present study, the effectiveness of commercial medium molecular weight chitosan and its ionic charged derivative (quaternized N,N,N-trimethylchitosan) were evaluated. Cast films of both materials were assessed against Staphylococcus aureus (gram-positive) and Escherichia coli (gramnegative) as model bacteria by inhibition zone formation. The results show positive activity against the grampositive microorganism for both materials. The antibacterial effectiveness of the chitosan derivative was dependent on the film polymer concentration. No activity however, was observed against the gram-negative species for either material in film form. The results point to the possibility of considering different antimicrobial mechanisms acting on each type of bacteria.
Ab Initio Calculations on the Magnetic Properties of Hydrogenated Boron Nitride Nanotubes

Ab initio local spin density approximation calculations were performed to study the magnetic properties of hydrogenated boron nitride nanotubes (H-BNNTs). It is found that the adsorption of a single H atom on the external surface of BNNT can induce spontaneous magnetization in the H-BNNTs, whereas no magnetism is observed when two H atoms are adsorbed on two neighboring N atoms or on two neighboring B and N atoms. However, spontaneous magnetization is also found in the H-BNNTs with two H atoms on two B atoms not next to each other, the further the better. This may be experimentally accessible when the coverage of H atoms adsorbed on the external surface of BNNTs is low. Defects produce spontaneous magnetization on BNNTs. When one or three H atoms are adsorbed on vacancy defects of BNNTs, the H-BNNTs are nonmagnetic, while magnetic H-BNNT can be obtained by two H atoms adsorbed on vacancy defects, which may be difficult to control experimentally. The key issue for magnetism is the existence of unpaired electrons, which can be experimentally realized by either low coverage of hydrogen atoms or making defects on perfect BNNTs. This indicates that it is possible to tune the magnetic properties of BNNTs by hydrogenation or defects, thus providing a new synthetic route toward metal-free magnetic materials.
Catalysis for CO2 conversion: a key technology for rapid introduction of renewable energy in the value chain of chemical industries

Replacement of part of the fossil fuel consumption by renewable energy, in particular in the chemical industry, is a central strategy for resource and energy efficiency. This perspective will show that CO2 is the key molecule to proceed effectively in this direction. The routes, opportunities and barriers in increasing the share of renewable energy by using CO2 reaction and their impact on the chemical and energy value chains are discussed after introducing the general aspects of this topic evidencing the tight integration between the CO2 use and renewable energy insertion in the value chain of the process industry. The focus of this perspective article is on the catalytic aspects of the chemistries involved, with an analysis of the state-of-the-art, perspectives and targets to be developed. The reactions discussed are the production of short-chain olefins (ethylene, propylene) from CO2, and the conversion of carbon dioxide to syngas, formic acid, methanol and dimethyl ether, hydrocarbons via Fischer–Tropsch synthesis and methane. The relevance of availability, cost and environmental footprints of H2 production routes using renewable energies is addressed. The final part discusses the possible scenario for CO2 as an intermediary for the incorporation of renewable energy in the process industry, with a concise roadmap for catalysis needs and barriers to reach this goal.
Preparation and properties of modified bismaleimide resins based on phthalide‐containing monomer

A series of bismaleimide resins based on phthalide-containing monomer have been prepared by the copolymerization reaction of 3,3-bis[4-(4-maleimidophenoxy)phenyl] -phthalide (PPBMI), 4, 4'-dimaleimido diphenylmethane (MBMI) and 2, 2'-diallyl bisphenol A (DABPA) in different feed ratios. The curing behavior, thermal, mechanical and physical properties and compatibility of all resultant resins were carefully characterized using differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), dynamic mechanical analysis (DMA), notched Izod impact test, water absorption test and scanning electron microscopy (SEM). DSC investigations showed that with an increase of the weight ratio of PPBMI, the dominating exothermic polymerization temperature (Tp) increased. The glass transitions were observed from DMA thermograms for the cured BMI resins in the temperature range from 277°C to 311°C and decreased with increasing PPBMI content. The TGA results indicated the thermal stability was improved as PPBMI content increased. The investigations of the mechanical properties showed a complicated trend with an increase in PPBMI content. In addition, the equilibrium water uptake of the modified resins was reduced as PPBMI content increased. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 130: 1084-1091, 2013
Supercapacitor/biofuel cell hybrids based on wired enzymes on carbon nanotube matrices: autonomous reloading after high power pulses in neutral buffered glucose solutions

We report an original setup using carbon nanotube matrices as supercapacitors where redox enzymes serve for continuous charging of the capacitors. High currents can be delivered under short pulse discharges. This supercapacitor/biofuel cell hybrid system remains stable for at least 40 000 pulses of 2 mW.
Parametric analysis of thermal regeneration of adsorption beds

L'etude experimentale porte sur le systeme propene/azote pour un lit fixe de charbon actif. Un modele mathematique non adiabatique et non a l'equilibre est mis en place pour simuler la temperature et la composition de rupture. Le transfert de matiere entre les particules est lui aussi modelise
The Fluorescence Identification of Advanced Glycation End Products in Streptozotocinâˆ’Induced Diabetic Ratsâ€™ Plasma Samples

The plasma samples obtained from non-diabetic and diabetic rats were examined by fluorescence spectroscopy in order to find specific spectroscopic biomarkers for the monitoring and development of late diabetic complications. We studied 10 non-diabetic rats (8 middle-aged rats and 2 younger). After the spectrofluorimetrically determination (370 nm/432 nm) of AGEs in healthy rats, diabetes was induced by the intravenous injection of streptozotocin. AGEs were determined again at 1 week interval by using the same method. The results show that emission bands appearing at 405, 420 and 432 in all examined samples obtained from healthy rats were increased in intensity in all tested diabetic rats. The emission intensities were relatively the same in healthy ratsâ€™ plasma samples. Therefore, the high of the emission maximum at around 405 nm was between 727 - 1653 nm, the height of the peak around 420 nm was between 807 and 1574 nm, while the maximum of the peak around 432 nm was between 748 nm and 1475 nm. Upon diabetes induction, the high of the emission band at around 432, which is assigned to AGEs, increased about 2-fold. The fluorescence emission spectra of plasma samples are able to discriminate the diabetic rats from the healthy controls.
International Journal of Food Engineering Modelling Thermodynamic Properties of Banana Waste by Analytical Derivation of Desorption Isotherms

Banana is an agricultural product of great economic importance for various developing countries. The relationship between moisture content and water activity provides useful information for the processing and storage of banana waste. The water activity and moisture content of three banana (Mussa spp. Haploid AAB cv. Nanica) waste items were analyzed to determine the desorption isotherms at six different temperatures (20, 30, 40, 50, 60 and 70°C). The desorption isotherms of the peel, pedicel and pulp of overripe bananas were determined in wide ranges of moisture content (0.001–6.360 kg kg-1 d.b.) and water activity (0.02–0.907). The theoretical GAB model was used for modelling the desorption isotherms. An analytical solution of the Clausius-Clapeyron equation was proposed to compute the isosteric heat of sorption, the differential entropy and Gibbs’ free energy by way of the GAB model when the effect of temperature on the hygroscopic equilibrium was considered.