Miracle-dz/UniFAR-FTUs huggingface dataset:
Determination of sulfate and chloride ions in highly saline oilfield water by capillary electrophoresis using bilayer-coated capillaries and indirect absorption detection

Analysis of highly saline oilfield waters for anions presents challenges. Traditional analytical techniques used for such analysis tend to suffer from both poor sensitivity and selectivity due to the high concentrations of salt present in the samples. A capillary electrophoresis method was developed for the simultaneous determination of chloride and sulfate anions which is relevant to the oilfield analysis industry and of economic value. Due to the extremely high concentrations of chloride in highly saline oilfield waters, it is difficult to achieve baseline electrophoretic separation necessary for accurate quantitation. By using a capillary with a noncovalently bound bilayer coating using Polybrene, a cationic polymer and sodium dodecyl sulfate (SDS), an anionic surfactant and a buffer consisting of 50 mM TRIS, 30 mM SDS, 5% methanol and 26 mM chromium trioxide (CrO3) at pH 6.7, baseline separation (Rs > 1.5) of chloride and sulfate was achieved. To mimic possible oilfield water samples, model water solutions of 5%, 10%, 15% and 20% chloride containing low ppm sulfate were prepared and successfully analysed using the method developed. In addition, the method was applied to determine chloride and sulfate anions in highly saline oilfield water samples. The accuracy of the method developed was verified by analysing NIST certified standards of chloride and sulfate. The results obtained for chloride and sulfate with the indirect CE-UV method were in close agreement (94–100% accuracy; <2.5% relative standard deviations) with those of the certified standard analysed by ion chromatography.
Determination of atom displacement distribution in YBCO superconductors induced by gamma radiation

The calculation results of the atom displacement distribution induced by gamma radiation in the superconducting material YBa2Cu3O7–x are presented. Firstly, a direct calculation procedure for the atom displacement distribution inside a given material is introduced, starting from the application of the energy flux distribution values of secondary electrons, formerly calculated using the Monte Carlo method based code system MCNP‐4C. Finally, calculation results of the atom displacement distribution, regarding the occupied oxygen crystalline sites, are presented for different incident gamma radiation energies, where an atom displacement threshold energy value of 20 eV was assigned to O(1–3) sites, while a value of 3.45 eV was used for the copper–oxygen chain sites at the basal plane. According to the present calculations, a predominating atom displacement rate at copper‐oxygen chain sites was obtained. On the other hand, nearly linear correlations among atom displacements and energy deposition profiles were also found. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Laser threshold and optical gain of blue optically pumped InGaN/GaN multiple quantum wells (MQW) grown on Si

Optical and laser properties of a series of MQW heterostructures with varying geometry grown on silicon with Al predeposition were investigated. Photoluminescence (PL) band positions covered a spectral range of 430 – 460 nm under Iexc=1 MW/cm2 and 445-505 nm under Iexc=0.15 W/cm2. Laser action was achieved under transversal optical pumping at room temperature using only cleaved lateral facets of the samples as laser mirrors. The laser threshold rose from 137 kW/cm2 to 300 kW/cm2 with laser wavelength increase from 440 nm to 465 nm. Numerical simulation of the laser conditions shows that the minimal threshold is realized on the fifth order mode. However, the calculated value of material optical gain of InGaN at the laser threshold increases only from 750 cm–1 to 1020 cm–1, mainly due to absorption rise in the substrate with increasing wavelength. Correlation was observed between PL characteristics and laser threshold. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
Delamination of Layered Double Hydroxides Containing Amino Acids

Various amino acids were intercalated into Mg−Al layered double hydroxides (LDHs) as interlayer anions. The goal of this approach was to create an interlayer environment that was attractive to formamide, because of hydrogen bonding, so that penetration of formamide would lead to delamination. Some of the amino acid intercalates were successfully delaminated in formamide, but others were not. The intercalates that could not be delaminated had a high amino acid content, exceeding 15−20% of the charge occupation rate. At that rate, closely packed amino acids were likely to be tightly connected to one another and to the host layers via hydrogen bonds, and therefore formamide presumably could not open or penetrate the interlayers in large volume. In contrast, there was not a clear lower threshold for charge occupation of amino acid; even LDH intercalates with charge occupations of less than 1% underwent delamination. Finally, M2+-Al LDH systems other than the Mg−Al system also underwent delamination.
Electrochemical performance of TiO 2 /Au/carbon nanotubes composite interface for hydroquinone detection

A novel nanocomposite was prepared by direct mixing of titania nanoparticles (nano-TiO2) and gold nanoparticles (nano-Au)-modified carbon nanotubes (CNTs) in a solution of chitosan. The electrochemical performance of a TiO2/Au/CNT nanocomposite-modified electrode for hydroquinone detection was investigated. When measured at a scan rate of 50 mV s− 1, the detected amount of hydroquinone at the TiO2/Au/CNT electrode varied linearly with hydroquinone concentration, for concentrations from 1 × 10− 6 to 1 × 10− 8 M; the sensitivity was 997 617 μA(mol l− 1)− 1, and the detection limit was 1 × 10− 10 M (S/N = 3). In all experiments, TiO2/Au/CNT nanocomposites exhibited better electrochemical performance than TiO2/CNT composites or CNTs. Enhanced current response can be attributed to the synergic effect of nano-TiO2, nano-Au and CNTs.
Quantitation in gas chromatography: usual practices and performances of a response factor database

In this study, usual methods commonly applied to report the quantitative composition of flavours, fragrances and essential oils were compared. The MS determinations without response factors exhibited a lack of accuracy and reproducibility. FID provided better results, but the determinations were still unsatisfactory. The best results were obtained by true internal standardization in MS and FID, which is time-consuming for mixtures composed of many constituents. The use of a response factor database was thus proposed and validated by testing the response dependence on GC parameters, using an experimental design. Very low time variations were observed. Under standard GC conditions, the determination of a model mixture with four different instruments exhibited a mean bias of < 3.4%.
Generalization of Snoek’s limit for modeling initial permeability of magnetic materials

Permeability relates the magnetic field intensity in a magnetic material to the resulting flux density. The initial part of the permeability extending from dc fields to the radio‐frequency fields of a few hundred megahertz is due to domain wall displacement. A spin resonance occurs due to the presence of an anisotropy field, with the result that the permeability drops rapidly at frequencies above this resonance. It has been observed experimentally that the variation of the ratio of the magnetic oxides in a given ferrite crystal structure changes the initial permeability and the resonance frequency. The product of the resonance frequency and the initial permeability is approximately constant, i.e., Snoek’s limit. Thus, if the resonance frequency increases, the initial permeability decreases in inverse proportion. Experimental results in the literature confirm the variation of the initial permeability with composition. A modification of the equations for Snoek’s limit suggest that a variable quasistatic mag.
Probing the Origin of Structural Stability of Single and Double Stapled p53 Peptide Analogs Bound to MDM2

The stabilization of secondary structure is believed to play an important role in the peptide–protein binding interaction. In this study, the α‐helical conformation and structural stability of single and double stapled all‐hydrocarbon cross‐linked p53 peptides when bound and unbound to MDM2 are investigated. We determined the effects of the peptide sequence, the stereochemistry of the cross‐linker, the conformation of the double bond in the alkene bridge, and the length of the bridge, to the relative stability of the α‐helix structure. The binding affinity calculations by WaterMap provided over one hundred hydration sites in the MDM2 binding pocket where water density is greater than twice that of the bulk, and the relative value of free energy released by displacing these hydration sites. In agreement with the experimental data, potentials of mean force obtained by weighted histogram analysis methods indicated the order of peptides from lowest to highest binding affinity. Our study provides a comprehensive rationalization of the relationship between peptide stapling strategy, the secondary structural stability, and the binding affinity of p53/MDM2 complex. We hope our efforts can help to further the development of a new generation p53/MDM2 inhibitors that can reactivate the function of p53 as tumor suppressor gene.
Photographic technique for the determination of metal cutting temperatures

An experimental technique has been developed for the measurement of the temperature distribution in the deformation zone and in the chip and tool during orthogonal cutting. The term orthogonal cutting is used for the special case where the cutting edge of the tool is perpendicular to the direction of relative motion of the workpiece and tool. The method involves photographing the chip, tool and workpiece in a plane perpendicular to the cutting edge, using an infra-red sensitive photographic plate. The optical density of the plate is determined over the relevant field by means of a microdensitometer. A heated tapered strip, on which the temperature distribution is measured by means of a series of thermocouples, is photographed simultaneously with the tool and workpiece. This enables the optical density of the plate to be calibrated in terms of temperature, and the temperature distribution over the chip, tool and workpiece can hence be determined. The effect of surface emissivity and of other factors on the accuracy of the technique are considered, and the results of an experiment using the photographic technique are presented and discussed in relation to previous theoretical and experimental work.
Preliminary evaluation of packaging‐content interactions: Mechanical and physicochemical characterization of polylactide bottles

Biodegradable materials as polylactide (PLA) are very interesting for cosmetic packaging application. However, these poly- mers, under environmental conditions or/and chemical treatments, can undergo to "aging," compromising their performances such as container. The aim of this study was the evaluation of mechanical, physicochemical and organoleptic properties of PLA bottles present in the cosmetic market. In particular, mechanical tests and thermal analyses were applied to study the PLA container degrada- tion under stressed physicochemical conditions. Calorimetric and morphological analyses were applied to evaluate differences between internal andexternal surface of containers. Results highlighted that the heating process together with chemicaltreatment determined a significant modification on polymer, leading to a more resistant and fragilematerial, whereas the only physical or chemical treatment alone showed a plasticizing effect. In conclusion, this study represents a start point to evaluate content-packaging interactions to optimize the choice of PLA polymer as cosmetic packaging. V C 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014, 131, 40067.
On the temperature correction to the ruby pressure scale

Since there is much confusion about the temperature correction to the ruby high‐pressure scale, we have measured the temperature dependence of the ruby R1 and R2 lines for several ruby samples in the range 150–400 K. The results show a variation of 0.3 A, corresponding to a pressure of 1 kbar. The results do not depend on chromium concentration. We find that the error in pressure can be reduced to about 0.4 kbar by measuring the temperature dependence of both the R1 and R2 lines of the ruby sample that are used in the high‐pressure experiment.
Antibacterial activities of TiO2 nanotubes on Porphyromonas gingivalis

Titanium-based nanomaterials have been widely used as dental implants because of their beneficial antiseptic and nano-interfacial effects. In particular, their application as surface decontamination biocompatible materials attracts increasing attention. In this study, a TiO2 nanotube-based antibacterial system has been fabricated by an anodic oxidation method, and its morphology, crystalline phase and hydrophilic property have been characterized. The effects of TiO2 nanotubes on bacterial growth inhibition, as well as bacterial cell fate, were also investigated. The results indicated that mixed-phase TiO2 nanotubes show excellent antibacterial performance under ultraviolet light irradiation, and their antibacterial ability could be attributed to the oxidative stress induced by the TiO2 nanotubes. The antibacterial performance of the TiO2 nanotube coating can be manipulated by photocatalytic activity as well as geometrical characteristics. Our study is the first to reveal the interactions of TiO2 surface that may increase the potential survival chances of Porphyromonas gingivalis when exposed to an antibacterial drug.
Properties of nanoclay PVA composites materials

Polyvinyl alcohol (PVA)/Na-rich Montmorillonite (MMT) nanocomposites were prepared using solution method to create polymer-clay nanocomposite (PCN) material. The PCN material was studied using X-ray diffraction (XRD), demonstrating polymer-clay intercalation that has a high d-spacing (lower diffraction angles) in the PCN XRD pattern, compared to the pure MMT clay XRD pattern, which has a low d-spacing (high diffraction angles). The nano-scanning electron microscope (NSEM) was used to study the morphological image of the PVA, MMT and PCN materials. The results showed that intercalation that took place between the PVA and MMT produced the PCN material. The mechanical properties of the pure PVA and the intercalated polymer material were studied. It was found that the small amount of MMT clay made the tensile modulus and percentage of the total elongation of the nano-composite significantly higher than the pure PVA polymer value, due to polymer-clay intercalation. The thermal stability of the intercalated pol.
Determination of Abamectin in Some Forest Matrices by Liquid Chromatography with Fluorescence Detection

Abstract A liquid chromatographic method was developed and validated for the determination of abamectin B1a residues in some terrestrial (balsam fir and oak foliage, sandy and clay loam soils and leaf litter) and aquatic (stream water and sediment) forest matrices. The processed foliage, soil, litter, and sediment were fortified with abamectin and extracted with ethyl acetate. The fortified steam water was extracted with dichloromethane. Aliquots of crude extracts were cleaned with Florisil® column chromatography and the purified extracts were derivatized using 1-methylimidazole and trifluoroacetic anhydride. The derivatized abamectin was analysed by reverse phase liquid chromatography, with a fluorescence detector set at 232 nm excitation and 461 nm emission wavelengths. A Spherisorb® ODS2, 5μm, 250 × 4 mm column was used. The samples were run isocratically using methanol-water as the mobile phase. Mean recoveries for the analyte ranged from 83.0 to 93.0%, with a coefficient of variation from 6.3 to 12.4.
Land Conversion, Subdivision and Amalgamation

The paper focus on the role played by the NLC in the planning and development process i.e. in controlling land use and condition via the system of conditional land title and providing methods towards land development i.e conversion, subdivision, partition,amalgamation and surrender and realienation. In achieving the objective, the writer hereby seeks to deal with the following matters : (a) An outline and review of the control of land use and development procedures under the NLC, i.e. categories, conditions, restrictions in interest, conversion, subdivision, partition, amalgamation, surrender, and surrender and realienation of land. (b) Why the need for "categories", "condition", "restriction in interest", "conversion", "subdivision", "partition", "amalgamation", "surrender", and "surrender and realienation of land"? (c) Legal implication for non-compliance with the land use planning and development procedures.
Simulation of silicate structures in their aqueous solutions

Simulated infrared spectra of ions derived from sodium monosilicate are compared with experimental spectra of aqueous sodium monosilicate solutions. It is demonstrated that models can only approximate the experimental IR spectra, if the calculations explicitly include a hydrate shell surrounding these ions. Applying the continuum solvent model alone does not change the qualitative behaviour of vibrational spectra.
NEUTRON REFLECTIVITY STUDIES OF THE ADSORPTION OF AEROSOL-OT AT THE AIR-WATER INTERFACE : THE STRUCTURE OF THE SODIUM SALT

We have combined neutron reflection measurements with isotopic substitution to determine the structure of a layer of sodium bis(2-ethyl-1-hexyl)sulfosuccinate (aerosol-OT or AOT) adsorbed at the air/solution interface. The widths of the distributions of the upper and lower halves of the molecule, as well as their positions in relation to the underlying water, have been measured at four concentrations varying from the critical micelle concentration (cmc) (2.5 × 10-3 M) to CMC/300. Over this concentration range the coverage changes from 78 ± 3 to 132 ± 8 A2/molecule but the thickness of the surfactant layer does not change at all, unlike the behavior of all other soluble surfactants so far studied by neutron reflection. At the highest surface coverage we conclude that the butyl chains are strongly tilted away from the surface normal. At the lowest surface coverage the unexpectedly large width of the chain distribution is attributed to the molecule as a whole being tilted in such a way that the two ethyl hex.
Probing resistance to protein adsorption of oligo(ethylene glycol)-terminated self-assembled monolayers by scanning force microscopy

Functionalized scanning force microscope (SFM) probes were used to investigate and to mimic the interaction between fibrinogen and self-assembled monolayers (SAMs) of methoxytri(ethylene glycol) undecanethiolates −S(CH2)11(OCH2CH2)3OCH3 (EG3-OMe) on gold and silver surfaces. The SAMs on gold are resistant to protein adsorption, whereas the films on silver adsorb variable amounts of fibrinogen. Experiments were performed with both charged and hydrophobic tips as models for local protein structures to determine the influence of these parameters on the interaction with the SAMs. A striking difference between the two monolayers was established when the forces were measured in an aqueous environment with hydrophobic probes. While a long-range attractive hydrophobic interaction was observed for the EG3-OMe on silver, a repulsive force was measured for EG3-OMe on gold. The strong dependence of the repulsive force for the EG3-OMe-gold system upon the solution ionic strength suggests that this interaction has a si.
On the use of laboratory X-ray diffraction equipment for Pair Distribution Function (PDF) studies

Abstract At present synchrotron and neutron sources are the preferred choice for PDF analysis, but there is clearly an increasing need for a PDF solution based on inhouse diffraction equipment. Such a solution, though limited, will benefit areas where quick feedback about the materials properties is important and will allow the routine application of PDF analysis for materials characterization in university laboratories as well as industrial R&D departments. One interesting application is the use of the PDF technique for comparing amorphous pharmaceutical substances [1]. It is worth mentioning that the use of in-house diffraction equipment for PDF analysis has been reported on numerous occasions (see for example [2–4]). This article describes the latest developments of laboratory X-ray equipment for PDF analysis and discusses some results obtained with such equipment. Three examples — C60, amorphous MoS3 and crystalline CeO2 — were chosen to demonstrate different aspects of PDF data collection optimization.
Microcalorimetry, adsorption, and reaction studies of CO, O2, and CO + O2 over Au/Fe2O3, Fe2O3, and polycrystalline gold catalysts

To understand the effect of catalytic activity of Au/Fe2O3 at low temperatures on a CO oxidation reaction, adsorption and changes in enthalpy were determined for the interaction of CO, O2, or CO+O2 (2:1) pulses over Au (5 at.%)/Fe2O3, Fe2O3, and polycrystalline gold catalysts between 300 and 470 K. The results demonstrate that the oxidation of CO on both Fe2O3 and Au/Fe2O3 occur by means of similar redox mechanisms involving the removal and replenishment of lattice oxygen, where the presence of gold promotes these processes. The FTIR data reveal that gold facilitates the chemisorption of CO on Au/Fe2O3, leading predominantly to the formation of Au0–CO species. The carbonate-like species, formed on both Fe2O3 and Au/Fe2O3 during the adsorption of CO or CO+O2, are stable below 375 K and are regarded to be mere by-products that do not play a major role in the CO oxidation process, particularly at low reaction temperatures (<400 K). The larger gold particles inhibited the formation of COad species during exposure of Au/Fe2O3 to CO+O2; this was accompanied by a decrease in the adsorption of both CO and O2 and a decrease in the formation of CO2. The promotional effect of gold is attributed to the presence of small (nanosize) Au crystallites that facilitate the chemisorption of CO molecules because of their inherent defective structural sites. It is suggested that the energy that evolves during the chemisorption of CO molecules is responsible for the surge in temperature at the Au–Fe2O3 interfaces; these eventually serve as sites for the accelerated reaction between CO and the support.
Zero-shot Scene Graph Generation via Triplet Calibration and Reduction

Scene Graph Generation (SGG) plays a pivotal role in downstream vision-language tasks. Existing SGG methods typically suffer from poor compositional generalizations on unseen triplets. They are generally trained on incompletely annotated scene graphs that contain dominant triplets and tend to bias toward these seen triplets during inference. To address this issue, we propose a Triplet Calibration and Reduction (T-CAR) framework in this article. In our framework, a triplet calibration loss is first presented to regularize the representations of diverse triplets and to simultaneously excavate the unseen triplets in incompletely annotated training scene graphs. Moreover, the unseen space of scene graphs is usually several times larger than the seen space, since it contains a huge number of unrealistic compositions. Thus, we propose an unseen space reduction loss to shift the attention of excavation to reasonable unseen compositions to facilitate the model training. Finally, we propose a contextual encoder to improve the compositional generalizations of unseen triplets by explicitly modeling the relative spatial relations between subjects and objects. Extensive experiments show that our approach achieves consistent improvements for zero-shot SGG over state-of-the-art methods. The code is available at https://github.com/jkli1998/T-CAR.