Miracle-dz/UniFAR-FTUs huggingface dataset:
Water sorption of acid-doped polyaniline powders and hollow fibers : Equilibrium and kinetic response

Measurements are reported for the sorption equilibrium and transport of water vapor into polyaniline (PANI) powders and asymmetric, microporous hollow fibers. Equilibrium isotherms at 298 K were measured on powders doped with 13 different organic and inorganic acids to change the polyaniline from its emeraldine base, PANI-EB (insulating) form, to the emeraldine salt, PANI-ES (conducting) form. The powders were exposed to air streams of varying relative humidity (RH) from 15 to 80%. The four acid dopants, H3PO4, HPF6, HBF4, and CF3SO3H, provided the highest water sorption figures-of-merit and also displayed nonlinear isotherms. At 50% RH, these four doped powders adsorbed 0.9−1.6 molecules of water per PANI-ES repeat unit. Measurements of the sorption kinetics on the hollow fibers were done with one dopant acid, H3PO4. The data were obtained under exposure to air streams at an ambient pressure of ∼0.1 MPa with relative humidity ∼50% and temperatures of 300−309 K. The sorption process was well-described by .
Dynamically cell separating thermo-functional biointerfaces with densely packed polymer brushes

Poly(N-isopropylacrylamide) (PIPAAm) brush grafted glass surfaces with various brush lengths were prepared as cell separating intelligent interfaces through a surface-initiated atom transfer radical polymerization (ATRP) with a CuCl–Me6TREN catalytic system and α-chloro-p-xylene as a free initiator in 2-propanol at 25 °C for 16 h. Characterization of the prepared surface was performed by X-ray photoelectron spectroscopy (XPS), attenuated total reflection Fourier transform infrared (ATR/FT-IR) spectroscopy, and gel permeation chromatography (GPC) measurement of PIPAAm in ATRP reaction solution for estimating the brush length. Phase transition behavior of PIPAAm in four cell culture media was also investigated by measuring the temperature-dependent turbidities. Prepared PIPAAm brush surfaces as cell separating intelligent interfaces were characterized by observing the adhesion and detachment behavior of four types of human cells: human umbilical vein endothelial cells (HUVECs), normal human dermal fibroblasts (NHDFs), human aortic smooth muscle cells (SMCs), and human skeletal muscle myoblast cells (HSMMs). The PIPAAm brush surface with a moderate brush length exhibited a proper cell adhesion and detachment behavior, while short-brush-surfaces scarcely detached cells and long-brush-surfaces scarcely adhered cells. The PIPAAm brush with a moderate brush length exhibited different cell detachment rates among individual cell types. Utilizing the different cell detachment properties, a mixture of green fluorescent protein (GFP) expressing HUVEC (GFP-HUVEC) and HSMM was separated. After being allowed to adhere on the surfaces at 37 °C for 24 h, the adhered cells on the surfaces were incubated at 20 °C. In the initial period of incubation at 20 °C, the GFP-HUVEC was released from the surface due to its prompt detachment property, and, in the subsequent period of incubation, HSMMs gradually detached themselves from the surface. These results indicated that a precisely designed PIPAAm brush functioned as an intelligent cell separating interface by utilizing the intrinsic cell detachment properties of individual cells.
The effect of high pressure on selected properties of yoghurt

The aim of the experiment was to assess the possibility of applying the high pressure technique for yoghurt preservation. Yoghurt subjected to pressures of 200–700 MPa/15 min (18 °C) was stored at temperatures of 4 and 20 °C for four weeks. The scope of examination included the effect of pressurisation on the survivability of yoghurt microbiota, acidity and organoleptic features. The extent of bacteria inactivation was found to have increased with the applied pressure. Lower survivability of microflora was observed in yoghurts stored at 20 °C as compared with those stored at 4 °C. Intensive increase in acidity was observed in the non-pressurised yoghurt, whereas this feature in the pressurised product remained constant or grew slightly during the four weeks of storage. Pressures ranging from 300 to 700 MPa brought about slight deterioration of the yoghurt consistency. Pressurised yoghurt kept at 4 °C preserved its good organoleptic quality longer than the non-pressurised product.
Preparation of Cationic Surfactant Intercalated Graphene Oxide and Quantitative Determination of the Interlamellar Spacing

Graphene Oxide (GO) was prepared from natural graphite and treated with different types and various amounts of cationic surfactants to form the intercalation nanocomposites. The resulting specimens were characterized by scanning electron microscopy (SEM), Fourier transform infrared spectrum (FT-IR), X-ray diffraction (XRD), and Thermogravimetric analysis (TGA). X-ray diffraction patterns revealed that the interlamellar spacing strongly depended on the mole mass ratios between GO to cationic surfactants and the alkyl chain length of surfactants. In addition, a model was proposed to illustrate the procedure of cetyltrimethylammonium chloride (CTAC)-GO intercalation, and the angles of inclination between the alkyl chains and GO planes were calculated based on the model.
Review of radiation damage in GaN-based materials and devices

A review of the effects of proton, neutron, γ-ray, and electron irradiation on GaN materials and devices is presented. Neutron irradiation tends to create disordered regions in the GaN, while the damage from the other forms of radiation is more typically point defects. In all cases, the damaged region contains carrier traps that reduce the mobility and conductivity of the GaN and at high enough doses, a significant degradation of device performance. GaN is several orders of magnitude more resistant to radiation damage than GaAs of similar doping concentrations. In terms of heterostructures, preliminary data suggests that the radiation hardness decreases in the order AlN/GaN > AlGaN/GaN > InAlN/GaN, consistent with the average bond strengths in the Al-based materials.
EFFECT OF GAS DIFFUSION LAYER CHARACTERISTICS AND ADDITION OF PORE-FORMING AGENTS ON THE PERFORMANCE OF POLYMER ELECTROLYTE MEMBRANE FUEL CELLS

The performance of five layer membrane electrode assemblies having different characteristics of gas diffusion layers was determined at 70°C cell temperature and ambient pressure. The maximum power density at 0.6 V was 0.36 W/cm2 for the membrane electrode assembly prepared with the gas diffusion layer having minimum thickness (SGL BC 30 type). On the other hand, the maximum power density at 0.5 V was 0.44 W/cm2 for the membrane electrode assembly prepared with SGL BC 34 type gas diffusion layer. It was found that resistance of a membrane electrode assembly is strongly dependent on gas diffusion layer thickness. Moreover, membrane electrode assemblies prepared with carbon paper gas diffusion layers resulted in higher performance than the assembly prepared with carbon cloth gas diffusion layer. Addition of pore-forming agents, which were ammonium carbonate, ammonium bicarbonate, ammonium sulfonate, and ammonium oxalate, to the catalyst ink lowered the performance.
Degradation of Diclofenac and Clofibric Acid using Ozone-Loaded Perfluorinated Solvent

The removal of pharmaceuticals (diclofenac and clofibric acid) from aqueous solution by using single and two-phase ozonation system was investigated. The second phase consisted of a reusable, fluorinated hydrocarbon (FC 40), with an ozone solubility of 10–12 times that of water. The research was carried out in a continuous and semi-continuous system. The influence of pharmaceuticals concentration, ozone dosage and contact time between FC 40 phase and aqueous solution were measured. Low extraction coefficients of pharmaceuticals suggest the aqueous phase as a reaction medium, while ozonation in the presence of tert-butanol indicates a radical mechanism of the destruction reactions. The results show that the removal efficiency of pharmaceuticals by fluorinated solvent/ozone combined system is higher when compared with aqueous phase ozonation.
Accurate Methods for Quantifying the Relative Ratio of Anatase and TiO2(B) Nanoparticles

Nanoparticles of TiO2 crystallizing as anatase and TiO2(B) phases with different ratios were synthesized by a three step treatment including an initial reflux process in highly alkaline medium. For the first time, the ratio of each variety has been quantified by analysing the galvanostatic curves during the lithium electrochemical insertion. The weight percentage of TiO2(B) reaches 95% (110 m2 g−1 specific surface area). In order to get quantitative information based on the ratios deduced from electrochemistry, the same TiO2 samples have also been investigated by Raman spectroscopy. This technique shows a sensitivity seven times higher for anatase than TiO2(B) detection compared to electrochemical method. The equation deduced from Raman refinement and electrochemical quantification permits, for the first time, to quantify the anatase/TiO2(B) ratio simply by using Raman spectroscopy.
Chemical Composition of the Essential Oil from Leaves of Biebersteinia multifida DC. Growing Wild in Iran

Abstract The essential oil obtained by hydrodistillation from leaves of Biebersteinia multifida DC. growing wild in Khorasan province (Iran), was analyzed by GC and GC-MS. Seven compounds representing 93.5 % of leaf oil of Biebersteinia multifida were identified among them oc-pinene (49.8 %) and 6,1,14-trimethyl-2-pentadecanone (21.6 %) were the major ones. In the identified compounds, α-pinene predominated over nonterpene hydrocarbons and other terpenes.
Effects of Interaction Between Surface Active Elements on the Surface Tension of Iron

AbstractSurface tension data at 1650°C have been measured for the Fe + S + O ternary system and the two binary systems, Fe + O and Fe + S using the levitated drop technique. The results indicate that the reductions in surface tension due to oxygen and to sulphur are essentially additive in the ternary system. Excess concentrations (Γ) for both oxygen and sulphur have been calculated for both binary and ternary systems; an empirical rule for calculating Γ values for the ternary system from Γ values for the binaries has been proposed. The temperature dependencies (dγ/dT) for both ternary alloys and for a stainless steel were found to be positive. Surface analysis of the samples has been determined using electron spectroscopy (ESCA); the results indicated a considerable enhancement in the concentration of the surface active elements, O and S in the surface layers. The effects of additions of deoxidizers and desulphurizers like Al and Ce upon the surface tension have been investigated. The significance of the.
A fast intrinsic localization procedure applicable for ab initio and semiempirical linear combination of atomic orbital wave functions

A new intrinsic localization algorithm is suggested based on a recently developed mathematical measure of localization. No external criteria are used to define a priori bonds, lone pairs, and core orbitals. It is shown that the method similarly to Edmiston–Ruedenberg’s localization prefers the well established chemical concept of σ–π separation, while on the other hand, works as economically as Boys’ procedure. For the application of the new localization algorithm, no additional quantities are to be calculated, the knowledge of atomic overlap intergrals is sufficient. This feature allows a unique formulation of the theory, adaptable for both ab initio and semiempirical methods, even in those cases where the exact form of the atomic basis functions is not defined (like in the EHT and PPP calculations). The implementation of the procedure in already existing program systems is particularly easy. For illustrative examples, we compare the Edmiston–Ruedenberg and Boys localized orbitals with those calculated b.
LOW-MOLECULAR-WEIGHT ORGANIC ACID EXUDATION OF RAPE (BRASSICA CAMPESTRIS) ROOTS IN CESIUM-CONTAMINATED SOILS

Cesium is an emission element from nuclear energy generation easily transferred to food chain. More evidence has been found that Brassica crops take up pollutants from soils. The objective of this study was to investigate the correlation between soil bioavailability of cesium and low-molecular-weight organic acids (LMWOAs) in rape (Brassica campestris) root exudates. Longtan (LT) red (Typic Hapladox) and Kuanshan (KS) iron-rich calcareous soils (Typic Paleudalf) were collected for this study. The pot experiments of rape were conducted with cesium-amended soils and plants grown in the soils (4 weeks). Cesium concentration in shoots and roots correlated well with Cs concentration in the amended soils. Within the amended range of 50 to 300 mg Cs kg−1 soil, Cs did not inhibit rape growth. The bioaccumulation ratio ([Cs]root/[Cs]soil] or [Cs]shoot/[Cs]soil) for Cs in shoots of pot grown plants ranged between 9 and 31 and showed significant differences (P < 0.05). Plant roots can exude LMWOAs, which are important components in root exudation. The total amounts of volatile and nonvolatile LMWOAs in all Cs-amended soils were higher than those in nonamended soils. Meanwhile, the LMWOA concentrations of the rape root exudates showed good correlation with Cs concentrations in the applied range of 50 to 300 mg Cs kg−1 soil.
Changes in SDS Solubility of Glutenin Polymers During Dough Mixing and Resting

ABSTRACT An online coupling of high-performance size-exclusion chromatography (HPSEC) combined with multiangle laser-light scattering (MALLS) and a reverse-phase HPLC procedure were used to characterize and reveal the polydispersity of the glutenin polymers of doughs during mixing and resting. Experiments involved doughs prepared from several samples of a common French wheat cultivar (Soissons) differing in total amount of SDS-unextractable glutenin polymers. During dough mixing, the amounts, size distribution of protein, and glutenin subunit composition within the SDS-unextractable polymers changed. However, the major changes in SDS-unextractable glutenin content and size distribution occurred before the peak mixing time (MT) was reached, whereas detectable changes in subunit composition also occurred after the peak MT. Even if sonication, which was used to solubilize the total wheat glutenin, can narrow the glutenin size distribution, HPSEC-MALLS revealed a close relationship between the SDS solubility .
Electrostatic layer-by-layer self-assembly multilayer films based on graphene and manganese dioxide sheets as novel electrode materials for supercapacitors

A new class of multilayer films was constructed by electrostatic layer-by-layer self-assembly, using poly(sodium 4-styrenesulfonate) mediated graphene sheets (PSS-GS), manganese dioxide (MnO2) sheets, and poly(diallyldimethylammonium) (PDDA) as building blocks. UV-vis spectroscopy, field-emission scanning electron microscopy and X-ray photoelectron spectroscopy were used to characterize the microstructures and morphologies of the multilayer films. Capacitive properties of the synthesized multilayer film electrodes were studied using cyclic voltammetry and galvanostatic charge/discharge in 0.1 M Na2SO4 electrolyte. The specific capacitance of the ITO/(PDDA/PSS-GS/PDDA/MnO2)10electrode reached 263 F g−1 at a discharge current density of 0.283 A g−1; moreover, this film electrode also shows a good cyclic stability and high Coulombic efficiency. Anticipatedly, the synthesized multilayer films will find promising applications as a novel electrode material in supercapacitors and other devices in virtue of their outstanding characteristics of controllable capacitance, good cycle stability, low cost and environmentally benign nature.
A Model for the Mechanism of Fe3+ to Fe2+ Reduction in Dioctahedral Smectites

A model to compensate the 2:1 layer having excess negative charge owing to the reduction of Fe3+ to Fe2+ by sodium dithionite buffered with citrate-bicarbonate in nontronite, beidellite, and montmorillonite is proposed. This model is based on reassessing published experimental data for Fe-containing smectites and on a recently published structural model for reduced Garfield nontronite. In the reduced state, Fe2+ cations remain six-fold coordinated, and increases of negative charge in the 2:1 layer are compensated by the sorption of Na+ and H+ from solution. Some of the incorporated protons react with structural OH groups to cause dehydroxylation. Also, some protons bond with undersaturated oxygen atoms of the octahedral sheet. The amount of Na+ (p) and H+ (ni) cations incorporated in the structure as a function of the amount of Fe reduction can be described quantitatively by two equations: p = m/(1 + K0mrel) and ni = K0mrel/(1 + K0mrel); with K0 = CEC (9.32 − 1.06mtot + 0.02mtot2), where mtot is the total Fe content in the smectite, m is the Fe2+ content, mrel is the reduction level (m/mtot), CEC is the cation-exchange capacity, and K0 is a constant specific to the smectite. The model can predict, from the chemical composition of a smectite, the modifications of its properties as a function of reduction level. Based on this model, the structural mechanism of Fe3+ reduction in montmorillonite differs from that determined in nontronite and beidellite owing to differences in the distribution of cations over trans- and cis-octahedral sites.
Runoff phosphorus retention in vegetated field margins on flat landscapes

Vegetated buffer strips (VBS) are often recommended as a management practice that farmers can use to help mitigate the environmental effects of runoff from agricultural fields. Previous research has shown that VBS can be effective at trapping phosphorus (P) and other farm-sourced environmental contaminants. This project measured the effectiveness of established vegetated strips at decreasing P in runoff from agricultural fields in Manitoba. Paired samples of runoff, taken at the field edge and in the vegetated strip, indicated that in 11 of the 22 cases sampled (50%), P concentrations in the runoff decreased (on average 30%) as the flow passed through the vegetated strip. In 7 of the 22 case (32%) there was no difference; however, in four of the 22 cases (18%), runoff P concentrations increased, indicating the vegetated strip had become a source of runoff P. Soil samples from the VBS showed high available P concentrations at positions within the vegetated strip along the runoff flow path, and in 7 of 10 c.
Synthesis and Characterization of Some Novel Hexa-coordinated Mixed-Ligand Cyanonitrosyl {CrNO} 5 Complexes of Chromium with some Potentially Mono- and Bi-Dentate 5-Pyrazolone Derivatives

Abstract Some novel mixed-ligand cyanonitrosyl complexes of chromium (having {CrNO}5 electron configuration)1 of the formula[Cr(NO)(CN)2(L)2(H2O)], where L = 3-methyl-2-pyrazoline-5-one (MP), 3-methyl-1-phenyl-2-pyrazoline-5-one (MPHP), 2, 3-dimethyl-1-(4-methylphenyl)-3-pyrazoline-5-one (DMMPHP) or 4-amino-2, 3-dimethyl-1-phenyl-3-pyrazoline-5-one (ADMPHP) have been synthesized in the solid state by the interaction of potassium pentacyanonitrosylchromate(I) monohydrate, K3 [Cr(NO)(CN)5]. H2O, with the said 5-pyrazolone derivatives L. The complexes, which have been characterized by elemental analyses, molar conductances, theromogravimetric analyses, magnetic measurements, electron spin resonance and infra-red spectral studies, contain chromium(I) in a low-spin d5 - configuration. An octahedral structure has been proposed for all the complexes where CN is trans to CN and the L ligands are trang to each ocner in equatorial positions, whereas NO is trans to water at the axial positions.
How Does Helium Get into Buckminsterfullerene

Reaction mechanisms for helium incorporation into C{sub 60} have been examined by semiempirical (MNDO), ab initio (HF/3-21G), and density functional (BLYP/3-21G, BP86/3-21G) calculations. Effective activation barriers for the penetration through an intact cage and for the insertion through the two possible one-bond windows and six different two-bond windows are reported both in the lowest singlet triplet state. The computed barriers are very high and exceed 200 kcal/mol for each of the 21 pathways considered. These results require a new mechanistic interpretation of the high-pressure experiments where helium incorporation into fullerenes is observed under thermal conditions. Mechanistic alternatives are discussed including the possible role of imperfect C{sub 60} isomers and other intermediates. 57 refs., 10 figs., 5 tabs.
Comparative study of low energy Mather-type plasma focus devices

The characteristics of three different low energy Mather-type plasma focus devices are investigated and compared. The effects of anode length and insulator sleeve length on neutron yield and on fluence anisotropy are studied. It is found that proper tuning of the focus tube inductance with that of the driver enhances the neutron emission from the focus region, increases the neutron pulse width and broadens the deuterium pressure range for high neutron yield. The insulator contamination which occurs due to Cu evaporated from the electrodes drastically changes the device characteristic. The possibility of using the device as a multi-pulse neutron generator is also examined.
Uptake Rate Measurements of Methanesulfonic Acid and Glyoxal by Aqueous Droplets

The uptake kinetics of methanesulfonic acid (CH3SO3H, MSA) and glyoxal (CHOCHO, ethanedial) by aqueous solutions were studied as a function of temperature using the droplet train technique combined with mass spectrometry and FTIR detection. The measured uptake kinetics for MSA were shown to be independent of the composition of the aqueous phase for NaCl concentrations in the range from 0 to 2 M. The mass accommodation coefficient was determined as a function of temperature between 261 and 283 K. The measured values decreased from 0.16 to 0.1 in this temperature range. The uptake kinetics of glyoxal were studied as a function of temperature between 263 and 283 K and were very close to our detection limit in pure water (i.e., uptake coefficient γ close to 10-3) but were strongly affected by the pH (in the range from 1 to 14) or by sulfite ions (γ increasing to ∼0.02). The rate constant of the reaction between nonhydrated glyoxal and sulfite ions was determined to be ∼7.6 × 106 M-1 s-1 at 283 K. The mass acc.
Formation Mechanism of Polyaniline Nanotubes by a Simplified Template‐Free Method

PANI nanotubes with diameters of 100-150 nm with conductivities of single nanotubes as high as 30.6 S . cm(-1) were directly oxidized with APS in the absence of hard templates and acidic dopants. The high conductivity was shown to result from protons produced during the polymerization. The pH decreases with increasing polymerization time, and the morphology changes from hollow spheres to short and long tubes. It is proposed that the micelles formed by the aniline monomer in aqueous solution serve as a soft template for forming hollow spheres at the initial stage. As the polymerization proceeds, these hollow spheres are linearly aggregated and elongated to form short and long tubes.