Miracle-dz/UniFAR-FTUs huggingface dataset:
Fractionation of a Peel Oil Key Mixture by Supercritical CO2 in a Continuous Tower

The fractionation of peel oils with supercritical carbon dioxide was studied using a mixture of four key compounds. Experiments were performed on a 2-m column operated counter currently. The operating pressure and temperature ranged between 75 and 90 bar and between 40 and 80 °C, respectively. Solvent-to-feed ratios of 60, 80, and 120 were used. The total and partial extract refluxes were tested in order to evaluate the process feasibility. The effects of different feed insertion points and column packings were also tested. Experimental results indicate that fractionation can be successfully obtained between 75 and 80 bar and between 50 and 80 °C. In general, an increase of solubility corresponds to a decrease of selectivity, and thus, optimization of the separation is required. Experiments also indicate that temperature helps in separation and, furthermore, increases the recovery of oxygenated compounds. The upper limit to the operating temperature is given, however, by the thermal stability of the produ.
Ecofriendly Application of Nanomaterials: Nanobioremediation

Nanomaterials exhibit unique physical and chemical properties and, hence, they have received much attention from scientists and researchers in different areas of environmental sciences, specifically in bioremediation. Bioremediation provides a good clean-up strategy for some types of waste, but as it is expected, it will not be useful for all. For example, bioremediation may not provide a feasible strategy at sites with high concentrations of chemicals that are toxic to most microorganisms. These include heavy metals and salt. Further, the advancement in science and technology has increased standard of living which directly or indirectly contributes to the increase in waste and toxic material. Therefore, the remediation of contaminants by use of existing technology is not effective and efficient in cleaning up the environment. Hence, nanomaterials may be applied for bioremediation, which will not only have less toxic effect on microorganisms, but will also improve the microbial activity of the specific waste and toxic material which will reduce the overall time consumption as well as reduce the overall cost. In this paper we have briefly summarized the major types of nanomaterials that have been used so far in bioremediation of waste and toxic materials.
Preparation and characterization of high-performance poly(ether ether ketone) fibers with improved spinnability based on thermotropic liquid crystalline poly(aryl ether ketone) copolymer

High-performance poly(ether ether ketone) (PEEK) fibers were prepared by melt-spinning in the presence of thermotropic liquid crystalline poly(aryl ether ketone) copolymer (FPAEKLCP). The rheological and mechanical properties, birefringence, orientation, and crystallization of the resulting PEEK/FPAEKLCP fibers were characterized by using a melt flow indexer, capillary rheometer, single fiber electronic tensile strength tester, polarized light microscopy (PLM), and wide-angle X-ray diffraction (WAXD), respectively. The results indicate that the melt viscosity of PEEK significantly reduced by introducing FPAEKLCP, followed by the improvements in the spinnability and the quality of as-spun fibers. The tensile properties of PEEK/FPAEKLCP fibers mainly depend on the content of FPAEKLCP, drawing temperature, drawing ratio, and annealing processes. Moreover, the tensile strength and modulus of PEEK/FPAEKLCP fibers are obviously higher than those of neat PEEK fibers under the same processing conditions. This should be attributed to an enhancement in the orientation and crystallization of PEEK compounded with FPAEKLCP. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 130: 1406-1414, 2013
Nanographite Oxide as Ultrastrong Fluid-Loss-Control Additive in Water-Based Drilling Fluids

Nanographite oxide (GO) acting as an ultrastrong fluid-loss-control additive was prepared via modified Hummers’ method. The chemical structure and microtopography of GO were characterized through a combined use of FTIR, XRD, TG, TEM, and so on. The performance on fluid-loss control was evaluated through API filtration tests, and compared with several commonly used fluid-loss-control additives. The results show that GO performances are much better than the additives for comparison at relatively low concentration, due to the well aqueous dispersion of nanosheets. In addition, it is found that GO would exhibit outstanding effect on controlling fluid loss even in the absence of bentonite, which is a significant advantage over traditional polymer additives.
THE SYNTHESIS AND SPECTRAL CHARACTERIZATION OF NEW Cu(II), Ni(II), Co(III), AND Zn(II) COMPLEXES WITH SCHIFF BASE

ABSTRACT Cu(II), Ni(II), Co(III) and Zn(II) complexes with Schiff base have been prepared. Ligand is derived from condensation of 1,2-bis(p>-aminophenoxy)ethane and 2- hydroxynaphthalin-1-carbaldehyde. The complexes have been characterized by elemental analyses, ΛM, IR, UV-VIS, 1H NMR, 13C NMR and magnetic measurements. The ligand is coordinated to the central metal as a tetradentade ONNO ligand. The four bonding sites are the azomethine nitrogen and aldehydic -OH groups.
Generation of nano-scaled DNA patterns through electro-beam induced charge trapping

In this study, distinct regions of trapped charges on glass substrates created by electron beam bombardment were utilized to attract and to immobilize DNA molecules. The negatively charged DNA molecules were attracted by the positive charge layer beneath the substrate surface resulting from escape of secondary electrons. With this mechanism, we demonstrated high-precision patterning of unmodified DNA molecules, independent of the length, sequence, and number of DNA strands, and with an attachment to the glass surface strong enough to withstand vigorous washing with water. DNA patterns with the line width of 50 nm were achieved.
Ionic liquid-assisted microwave reduction of graphite oxide for supercapacitors

We present a facile and scalable method for the rapid production of reduced graphene oxide (RG–O) by ionic liquid-assisted microwave chemistry. Microwave irradiation of graphite oxide (GO) in an ionic liquid (IL) enables the rapid reduction of GO within 15 s, producing RG–O containing the IL within their porous structures. The reduced graphene oxide prepared by IL-assisted microwave irradiation (mRG–O) electrodes exhibited a high specific capacitance of ∼135 F g−1, which can be attributed to the open architecture of the mRG–O filled with IL moieties. A supercapacitor made with mRG–O in an IL electrolyte operated at a voltage of 3.5 V and showed a high energy density (∼58 W h kg−1) and power density (∼246 kW kg−1).
Numbers of donors and acceptors from transport measurements in graphene

A method is suggested to separately determine the surface density of positively and negatively charged impurities that limit the mobility in a graphene monolayer. The method is based on the exact result for the transport cross section, according to which the massless carriers are scattered more strongly when they are attracted to a charged impurity than when they are repelled from it.
Polypyrrole-coated paper for flexible solid-state energy storage

Highly conductive paper was fabricated through polypyrrole (PPy) coating on common printing paper by a simple and low-cost “soak and polymerization” method. The as-fabricated porous, flexible and conductive paper shows a high electrical conductivity of 15 S cm−1 and a low sheet resistance of 4.5 Ω sq−1. Flexible solid-state supercapacitors assembled with PPy/paper composite electrodes had an average weight of 55 mg and an areal capacitance of 0.42 F cm−2, indicating a high energy density of 1 mW h cm−3 at a power density of 0.27 W cm−3 normalized to the volume of the whole cell (electrode, electrolyte, and separator). Furthermore, this method could be easily scaled up to large-scale fabrication of conductive paper and opened up new opportunities for flexible energy storage.
Highly sensitive and selective determination of uranium in natural waters through a novel solidified floating organic drop microextraction method coupled with spectrophotometric determination

Ultra trace amounts of uranyl ions were extracted using a reliable, simple and selective solidified floating organic drop microextraction (SFODME) method, and determined by UV-Vis spectrophotometry. Di-2-ethylhexylphosphoric acid (HDEHP) was applied as the complexing ligand during the microextraction process, and Arsenazo III (AIII) was used as the chromogenic reagent through spectrophotometric determination. The effects of important experimental parameters on the formation of UO2–AIII complex and color development were studied. Other important experimental parameters affecting microextraction recovery such as type and volume of extracting organic solvent, acid concentration of sample solution, ligand concentration, stirring rate, extraction time and temperature, and salt addition were also evaluated and optimized. Under the optimized conditions, a linear response was obtained over the range of 0.8–75 ng mL−1 for uranyl ions. The interfering effect of some foreign ions on the extraction and determination of uranyl ions was also investigated. Limit of detection, relative standard deviation and enrichment factor of the proposed SFODME-UV method were obtained as 0.1 ng mL−1, 3.7% and 125, respectively, for uranyl ions. The proposed method was applied successfully for the extraction and determination of uranyl ions in natural water samples. The results of the proposed SFODME method and those reported by official standard method were in good agreement.
Metal Nanoparticles Immobilized on Carbon Nanodots as Highly Active Catalysts for Hydrogen Generation from Hydrazine in Aqueous Solution

Well‐dispersed PtNi nanoparticles (NPs) grown on carbon nanodots (CNDs) derived from a metal–organic framework (ZIF‐8) are synthesized by a simple reduction of metal precursors in the presence of CNDs, wherein the CNDs prove to be a powerful dispersion agent and distinct support for the PtNi NPs. The resultant PtNi‐CND catalyst exerts almost 100 % H2 selectivity and a high activity for the decomposition of hydrous hydrazine at room temperature. This excellent catalytic performance might be a result of the synergistic effect of the CND support and the PtNi NPs. The utilization of CNDs as a support to anchor the active component NPs and thus to facilitate the electron transfer and mass transport kinetics during the catalytic reaction process opens up new avenues to design high‐performance catalysts.
Preparation of ceramic fibre TEM cross‐sections using ultramicrotomy and ion beam thinning methods

The preparation of specimens for detailed TEM microanalysis of micrometre‐diameter, ceramic fibre cross‐sections is described. The starter material is ceramic fibre in powder form and both ultramicrotomy‐based and ion beam thinning‐based methods are described. Requirements for specimens of uniform and adequate thinness, for easy selection of representative fibre cross‐sections within the same specimen and for a reliable and time‐efficient preparation method, resulted in choice of the ultramicrotomy‐based method and the associated development of a novel extrusion and sedimentation technique of embedding the fibres to provide necessary pre‐alignment and packing.
A Multidomain Magnetic Passive Aerosol Sampler: Development and Experimental Evaluation

An innovative “quarter-sized” multidomain magnetic passive aerosol sampler (MPAS) has been developed, mainly for determining particle penetration through personal protective ensembles. The MPAS is a 28 mm disc with a height of 8.6 mm. It consists of 186 small magnets with about 140 on the collection area, arranged in an alternating N and S pole pattern. In contrast to conventional passive samplers, it uses magnetic force to collect a quantifiable amount of surrogate Fe3O4 particles within a substantially shortened sampling time. This article presents detailed design, principles of operation, performance evaluation, and the development of a deposition velocity model for the MPAS. Performance of the MPAS was evaluated under various test conditions, including different particle sizes ranging from 95 to 350 nm and wind speeds ranging from 0.48 to 1.17 m/s. A previously developed recirculation aerosol wind tunnel was employed to evaluate its performance. Experimental results show that the dimensionless deposition velocity increased with increasing particle size (e.g., about 5-fold greater for 300 nm particles than 100 nm particles at 0.48 m/s) and slightly decreased with increasing wind speeds. Our results show that this sampler is promising for the measurement of particle penetration through protective ensembles for which high collection efficiency is needed. Copyright 2013 American Association for Aerosol Research
Preparation of intercalation compounds of graphite oxide

酸化黒鉛は結晶性の高い黒鉛 を強力に酸化 した後に加水分解 することで得 られる化合物で,フ ツ化黒鉛と同様に共有結合性黒 鉛層間化合物に分類 されている。 この酸化黒鉛の炭素層には全 面に酸性を示す水酸基などの含酸素官能基が結合 しているため, これを利用することで層間へ水素結合,イ オン結合,共 有結合な どさまざまな相互作用によって挿入種を導入 した層間化合物の合 成が可能である。 酸化黒鉛 と同様に層状構造を有 しイオン交換 能を示す粘土鉱物類では同様の反応が起こることが以前から知ら れていたが1),2),酸化黒鉛が粘土鉱物類 と異なる点はこれらのイ オン交換容量にあたる酸性を示す水酸基量が約550m-equiv. /g3) とかなり大きい点(粘 土鉱物では100m-equiv./g程 度のものが多 い)で ある。 このため,酸化黒鉛層間化合物の合成法は粘土鉱物 類の層間化合物の場合とはいくぶん異なる点があるとともに,得ら れる材料 も異なった性質を示すことが期待されており,この10年 でさまざまなものが報告 されている。 得 られる層間化合物の合 成過程や反応,性質などについては筆者らがすでにまとめているの でそちらも参照されたい4),5)。 ここでは,こ れまでわれわれが行ってきたものを中心に酸化黒 鉛層間化合物の合成法をまとめた。 また,原料 となる酸化黒鉛の 合成法は古 くから知 られており総説や書籍3),6)-8)にもまとめられ ているもののまだ一般的であるとは言えず,濃い酸中での強力酸化 剤による酸化反応を用いるため合成には十分注意することが必 要でもあるので,筆者 らが通常用いているBrodie法 に基づいた方 法を中心とした酸化黒鉛の合成法についてもあわせて解説する。
Characterization of nitrogen doped chemical vapor deposited single crystal diamond before and after high pressure, high temperature annealing

A 820 micron thick single crystal diamond layer epitaxially grown on a single crystal diamond seed (high pressure, high temperature grown synthetic) by microwave plasma chemical vapor deposition with added nitrogen is characterized by an array of analytical techniques before and after annealing the material at high pressures and temperatures. The most striking result is the conversion of the initially dark colored, highly absorbing CVD layer to clear, transparent material after a 1 hour anneal at 7 GPa and 2200 °C. IR absorption in the region of the CH stretching modes, 2800 to 3107 cm -1 shows a remarkable sharpening and persistence of the observed modes. IR absorption in the one-phonon region also indicates the presence of significant concentrations of ionized single substitutional nitrogen in the as grown material. EPR indicates a concentration of neutral single substitutional nitrogen at lattice sites of ca. 1 ppm, and this changes by less then 30% when annealed at temperatures up to 2200 °C. EPR also detects 0.1 ppm of the negatively charged nitrogen-vacancy-hydrogen complex in the as grown diamond, but this anneals out by 1900 °C, the negatively charged nitrogen-vacancy complex is below the EPR detection limit in these samples of about 0.1 ppm. Photoluminescence detects the presence of neutral and negatively charged nitrogen-vacancy complexes in the as grown material, and the formation of new, unassigned bands principally in the 800 to 900 nm region. The total detected nitrogen concentration in the sample is ca. 1.5 ppm.
Bioavailablility of Heavy Metals in Strongly Acidic Soils Treated with Exceptional Quality Biosolids

New federal regulations may increase application of exceptional quality (EQ) biosolids to acidic soils, and information on the effect of this practice on bioavailability of heavy metal is limited. The objective of this study was to compare bioavailability of heavy metal in soil treated with nonalkaline or alkaline EQ biosolids with limestone-treated soils. Three acidic soils (pH 3.7-4.3) were treated with three amounts of lime-stabilized biosolids (LS), anaerobic-digested biosolids (AN), or agricultural limestone (L), and incubated at 25°C. Soil solution Cd, Zn, and other chemical constituents were measured at 1, 30, 90, and 180 d incubation. Chemical fractionation of heavy metal was performed after 180 d incubation. Soil solution Cd and Zn were AN > LS ≥ L, C. Soil solution Cd and Zn increased with AN applied but decreased with LS applied. The high application of LS had soil solution Zn equal to that obtained using limestone. Soil solution Cd and Zn dramatically decreased at soil pH >5.5 and >5.1, respectively. Soil solution Cd and Zn increases were AN > LS with incubation time. Biosolids treatments increased heavy metal in Ca(NO 3 ) 2 and NaOAc fractions. Except for Cd, most metal from biosolids were in EDTA and HNO 3 fractions. Heavy metal bioavailability, measured using lettuce (Lactuca sativa L.), was AN > LS ≥ L, C. Although state regulations prohibiting application of nonalkaline EQ biosolids to acidic soil is a prudent practice, application of EQ alkaline biosolids that achieves soil pH >5 minimizes risk from soil solution Cd and Zn and plant uptake of heavy metal.
Separation and identification of food dyes by thin‐layer chromatography/liquid secondary ion mass spectrometry

In order to separate and identify rapidly the 11 food dyes that are permitted in Japan, a thin-layer chromatographic/liquid secondary ion (LSI) mass spectrometric method was established. The characteristic features of these food dyes under fast atom bombardment and LSI mass spectrometric conditions were carefully investigated using various matrices. While glycerol enhanced reduction of them, magic bullet depressed the reduction to give the molecular ion species with the theoretical isotopic abundances. The two solvent systems, methanol-methyl ethyl ketone-10% sodium sulphate (1:1:3.5) (solvent A) and methanol-acetonitrile-10% sodium sulphate (3:3:10) (solvent B) were selected for separation of the xanthene dyes and the others, respectively by use of a reversed-phase thin-layer chromatographic plate prepared by ourselves. A method was also devised to concentrate a diffused spot on the plate using thioglycerol. The established thin-layer chromatographic/LSI mass spectrometric method was finally applied to identification of an unknown food dye from a candy.
Collection of bioactive reference compounds for focused library design

A collection of reference molecules for ligand-based library design was compiled from the recent scientific literature. Selected properties of this set of 4,236 drugs and drug candidates were analyzed and compared to previous studies. Lipophilicity and molecular weight distributions revealed a trend toward larger, more lipophilic molecules of newer drug candidates. Using the compound collection as a source of reference data, a method for visualization of molecule distributions in a pharmacophore space by self-organizing maps (SOM) was developed which can be used for virtual library design. Potential applications of this "pharmacophore road map" approach are discussed.
Tunable temperature dependence of electrocaloric effect in ferroelectric relaxor poly(vinylidene fluoride-trifluoroethylene-chlorofluoroethylene terpolymer

The electrocaloric effect (ECE) was directly measured in a relaxor ferroelectric poly(vinylidene fluoride-trifluoroethylene-chlorofluoroethylene) (P(VDF-TrFE-CFE)) terpolymer. It was observed that the temperature dependence of ECE of the terpolymer films depends critically on the film preparation conditions. While the uniaxially stretched terpolymer films show pronounced temperature dependence of ECE, the non-stretched films exhibit nearly temperature independent ECE from 5 °C to 45 °C. Such a difference is likely caused by the changes in possible polar states and polar-correlation range by film stretching. Besides, large ECE (T > 15 °C) can be induced in both films at 30 °C and 150 MV/m.
Preparation of a Pyrazosulfuron-Ethyl Imprinted Polymer with Hydrophilic External Layers by Reversible Addition-Fragmentation Chain Transfer Precipitation and Grafting Polymerization

A new imprinted polymer with both functions of molecular recognition and macromolecule exclusion was synthesized for selective extraction of pyrazosulfuron-ethyl and removal of humic acids in environmental analysis. In the preparation, spherical pyrazosulfuron-ethyl imprinted polymers were synthesized by reversible addition–fragmentation chain transfer (RAFT) precipitation polymerization. The hydrophilic polymer layers were then grafted on the surface of the imprinted polymer microspheres using post-RAFT polymerization. The conditions that influence the selectivity, size, and uniformity of the imprinted microspheres were studied systematically. The computer simulation was employed to study the template-monomer interaction. The solubility parameters of poly(MAA-co-EDMA) and porogen were calculated to investigate the relationship between the particle size and the solubility parameter. The results indicated that the pyrazosulfuron-ethyl imprinted polymers have special affinity for the template and several structurally related sulfonylurea herbicides. The molecularly imprinted polymer (MIP) with external hydrophilic chains not only had function of template retention, but also better function of protein/humic acid exclusion. This research demonstrates that multifunctional imprinted material with a narrow size distribution can be prepared by the RAFT polymerization.
Gaussian‐1 theory of molecular energies for second‐row compounds

The Gaussian‐1 theoretical procedure is extended and tested on compounds containing second‐row atoms (Na–Cl). This is a composite procedure based on ab initio molecular orbital theory, utilizing large basis sets (including diffuse‐sp, double‐d, and f‐polarization functions) and treating electron correlation by Mo/ller–Plesset perturbation theory and by quadratic configuration interaction. Total atomization energies for a set of 24 species agree with accurate experimental data to an accuracy of better than 3 kcal/mol in most cases, SO2 being the notable exception. Similar agreement is achieved for ionization energies, electron affinities, and proton affinities. The method is used to assess experimental data for a number of other compounds having less accurate atomization energies.
Near infrared transmission through clothing: applications in sensing and screening

Experiments have been performed to demonstrate that near infrared (NIR) transmission through a wide range of clothing materials is possible. Studies have shown that the characteristics of NIR transmission are affected by both the type of fibre used, and the weave pattern. A series of experiments has indicated that NIR transmission is also dependent on other variables such as fabric porosity and dye colour. It is shown that, in many cases, transmission coefficients are sufficiently high that imaging and spectroscopy of objects hidden behind clothing samples should be possible. However, while transmission through clothing at NIR wavelengths in the 750-1,700 nm range is often more effective than in the visible or IR regions, the fabrics themselves will modify the transmitted signal in terms of spatial effects, intensity and spectral content. The paper also describes the possible use of near infrared signals to identify objects that are hidden behind clothing layers. This can be done using spectroscopy. It is important, however, to distinguish the various contributions that exist within the backscattered signal. A set of careful laboratory experiments have demonstrated that transmission through a set of different clothing fabrics does modify the spectral content of signals, but that the spectrum of a particular chemical can still be identified, provided certain steps are taken. These involve a set of careful calibration measurements, and the use of processing techniques for the retrieval of data. It will be shown that this is possible for both granular solids and selected liquids.