Miracle-dz/UniFAR-FTUs huggingface dataset:
Bacterial surface display of metal binding peptides as whole-cell biocatalysts for 4-nitroaniline reduction

This study employed cells that express metal binding peptides on the surface for “green” synthesis of gold and platinum nanoparticles (NPs). We began by testing several surface display systems to investigate the expression of heterologous protein/peptides in Escherichia coli and Ralstonia eutropha. Cells with gold-binding-peptides on their surfaces were used to perform a quantitative comparison of labeling efficiency using gold NPs. Next, cells expressing metal binding peptides were used to simultaneously synthesize and display the metal NPs on the cell surfaces. Our results demonstrated the possibility of using microorganisms as whole-cell biocatalysts in the production and displaying of gold and platinum NPs for the reduction of 4-nitroaniline.
Polymer Field‐Effect Transistors Fabricated by the Sequential Gravure Printing of Polythiophene, Two Insulator Layers, and a Metal Ink Gate

The mass production technique of gravure contact printing is used to fabricate state‐of‐the art polymer field‐effect transistors (FETs). Using plastic substrates with prepatterned indium tin oxide source and drain contacts as required for display applications, four different layers are sequentially gravure‐printed: the semiconductor poly(3‐hexylthiophene‐2,5‐diyl) (P3HT), two insulator layers, and an Ag gate. A crosslinkable insulator and an Ag ink are developed which are both printable and highly robust. Printing in ambient and using this bottom‐contact/top‐gate geometry, an on/off ratio of >104 and a mobility of 0.04 cm2 V−1 s−1 are achieved. This rivals the best top‐gate polymer FETs fabricated with these materials. Printing using low concentration, low viscosity ink formulations, and different P3HT molecular weights is demonstrated. The printing speed of 40 m min−1 on a flexible polymer substrate demonstrates that very high‐volume, reel‐to‐reel production of organic electronic devices is possible.
Nucleation and Growth Mechanism of NixPt1–x Nanoparticles

Knowledge of nucleation and growth mechanisms is an important prerequisite for size control during nanoparticle synthesis. However, for many systems the mechanism is not completely understood. Here, investigation of the formation of NixPt1–x nanoparticles that are synthesized via reduction of platinum (II) acetylacetonate and nickel (II) acetate in the presence of oleic acid, oleylamine, and 1,2‐hexadecanediol as the reducing agent is reported. Different reaction conditions are studied to reveal the influence on particle size and composition. The composition of the NixPt1–x nanocrystals is tunable through variation of the Ni:Pt ratio. The particle size depends on the concentration of oleic acid, while oleylamine mainly determines the particle shape. The binding of both stabilizing agents on the nanoparticle surface is investigated by attenuated total reflectance Fourier transform infrared spectroscopy. The growth process of the particles is studied by transmission electron microscopy analysis and UV‐vis spectroscopy at different reaction stages. Our results lead to the assumption of a single nucleation event, followed by the growth process in the absence of Ostwald ripening. This type of growth can be extended by continuous injection of the molecular precursors, which allows the possibility of particle size control.
Computational prediction of chemically synthesizable organic structure directing agents for zeolites

We describe a computational procedure to predict chemically synthesizable organic structure directing agents (OSDAs) for zeolites. To identify these structure-directing agents, we apply transformations from organic chemistry to a library of available reagents. The compounds are scored based upon stability under synthesis conditions, rigidity, volume, geometric compatibility, and energy of interaction with the target zeolite. We illustrate the method on the three zeolites AEI, ITE, and STF. This method can be used to search for novel, perhaps cheaper or more effective, OSDAs to synthesize known zeolites. The method also has the potential to identify OSDAs that will allow the synthesis of novel, perhaps even theoretically predicted, zeolites.
INFLUENCE OF ZIRCONIUM ON STRUCTURAL, MICROSTRUCTURAL AND FERROELECTRIC PROPERTIES OF BaZr0.20Ti0.80O3 CERAMIC

ABSTRACT Barium zirconium titanate BaZrxTi1-xO3 ceramics have been obtained by conventional method. The X-ray diffraction analysis showed that the BaZr0.20Ti0. 80O3 crystallizes in the cubic structure. The lattice parameter a increases with temperature, at temperature ∼308 K a small deviation is observed. The performed EDS study revealed that the samples were perfectly sintered and that the material was chemically homogeneous. It contains a little glassy phase and the grains are well shaped. The zirconium content (20 mol%) in the examined solid solution caused downward shift of the temperature T m . The increase of the achieved permittivity values ϵm was observed as well.
Emulsion breakdown: Mechanisms and development of multilayer membrane

Phase inversion phenomena of oil-in-water (triolein in water-containing sodium lauryl sulfate, SDS) emulsions permeating through hydrophobic micropores were visualized using an optically accessible array of well-defined microchannels and a microscope video system. Oil droplets coalesced on the hydrophobic microchannel surface and permeated to form a continuous oil layer at the outlet. Water was repelled from the surface, and large, irregular-sized water droplets were created at the outlet. To evaluate the emulsion breakdown mechanism practically, the emulsions were filtered with hydrophobic polytetrafluoroethylene membranes of several pore sizes. In all cases, the permeate was separated into two phases, an oily and an aqueous one. The three pore sizes, 1-, 5- and 10-μm membranes, were stacked into a layer, and with the multilayer membrane the breakdown ability of the 1-μm membrane was effectively combined with the oil droplet growth ability of the 5- and 10-μm membranes.
Ruthenium(II) bipyridine complexes: synthesis and characterization of Ru(bpy)(CO)2(SCN)2, Ru(dmbpy)(CO)2Cl2, and Ru(dmbpy)(CO)2(NCS)H (bpy = 2,2‘-bipyridine; dmbpy = 6,6‘-dimethyl-2,2‘-bipyridine)

Ru(II) bipyridine complexes were synthesized and their spectroscopic properties studied. The replacement of 2,2‘-bipyridine (bpy) by 6,6‘-dimethyl-substituted 2,2‘-bipyridine (dmbpy) is suggested to change the steric and electronic factors involved in these complexes, which in turn affect the coordination ability of Ru. In the case of thiocyanate ligand, the metal center is able to coordinate to either its S or N end, the bonding mode being dependent on both steric and electronic factors.
First-principles modelling of molecular single-electron transistors

We present a first-principles method for calculating the charging energy of a molecular single-electron transistor operating in the Coulomb blockade regime. The properties of the molecule are modeled using density-functional theory, the environment is described by a continuum model, and the interaction between the molecule and the environment are included through the Poisson equation. The model is used to calculate the charge stability diagrams of a benzene and C$_{60}$ molecular single-electron transistor.
In Situ Control of Native Oxide Growth for Semiconductor Processes

In situ control methods of native oxide growth on Si surfaces at room temperature and during the temperature ramp-up are proposed for metal/Si contact formation, lowtemperature Si epitaxy, and very-thin thermal oxide film formation, based on analyses of factors dominating the oxide growth. Low-resistance W/Si contacts are formed by N 2 gas sealed processing of HF cleaning right before W chemical vapor deposition(CVD). Highquality epitaxial Si films are grown at a low temperature of 550°C using Si 2 H 6 molecular flow pre-showering to suppress the oxide growth caused by water or oxygen in a CVD reactor. Very thin gate oxide films with high insulating performance are realized by the preoxidation step at 300°C to form one-molecular-layer oxide for passivation and by the subsequent temperature ramp-up step in ultraclean Ar gas to prevent oxide growth and an increase of surface microroughness before the thermal oxidation step.
Products from the reaction of trans-oxotrihalogenobis(triphenylphosphine)rhenium(V) with carboxylic acids, and related compounds

By heating trans-ReOX3(PPh3)2 with a variety of carboxylic acids or their anhydrides we have isolated not only the known compounds ReX4(PPh3)2 and Re2Cl2(R·CO2)4 but also the new series of carboxylato-complexes, Re2Cl3(R·CO2)2(PPh3)2, Re2OX5(R′·CO2)(PPh3)2, and Re2Br2(R·CO2)4(X = Cl or Br, R = alkyl, R′= alkyl or aryl). The relative proportions of these compounds depend, inter alia, on the duration of heating, the amount of oxygen present, and the strength of the acid used. Convenient preparative routes to the compounds ReCl4(PPh3)2 and Re2Cl2(R·Co2)4 are described.
Acoustic phonon contributions to the emission spectrum of single CdSe nanocrystals

Narrow zero-phonon emission lines are observed in single CdSe/CdZnS core/shell colloidal nanocrystals over a range of cryogenic temperatures up to 40 K. These nanocrystals display dramaticaly improved spectral stability enabling the observation of acoustic phonon sidebands accompanying most zero-phonon lines. A discrete phonon mode is attributed to the electron coupling to the l = 0 acoustic breathing mode via the deformation coupling. The Huang−Rhys parameter, Sac, for this interaction is found to vary from 0.0016 to 0.09, demonstrating a wide dispersion in exciton−phonon coupling between different nanocrystals. Indeed, we observe single nanocrystals in which all acoustic phonon sidebands vanish, in close agreement with theoretical predictions that there should be negligible acoustic phonon coupling in an ideal spherical CdSe nanocrystal. Such nanocrystals are virtually decoupled from their environment, which is potentially useful for quantum technologies, such as single photon sources and quantum computing. In general, the ability to detect and quantify phonon interactions within single nanocrystals will provide significant insight into energy relaxation and dephasing processes in these systems.
Biogenic silver nanoparticle impregnated hollow mesoporous silicalite-1: an efficient catalyst for p-nitrophenol reduction

AgNP impregnated hollow mesoporous silicalite-1 was synthesized using green carambola extract. AgNPs of 10–15 nm size were well dispersed mostly within the shell of hollow silicalite-1 which contained hierarchical porosity. The synthesized product showed enhanced catalytic efficiency for the reduction of p-nitrophenol.
Biobased cross-linked polyurethanes obtained from ester/amide pseudo-diols of fatty acid derivatives synthesized by thiol–ene coupling

Ester-containing pseudo-telechelic diols of fatty acid derivatives were synthesized via a two-step reaction (transesterification with diol compounds followed by thiol–ene radical coupling), and amide-containing pseudo-telechelic diols of fatty acid derivatives were also synthesized in a similar way, i.e. amidification reaction followed by thiol–ene radical coupling. A wide range of both ester- and amide-containing pseudo-telechelic diols were thus obtained by varying the spacer length between either ester or amide functions. These compounds were thoroughly characterized by means of NMR analysis and by titration. Their viscosity as well as their thermal behavior was assessed. Polyurethanes (PUs) were then obtained by reaction with a commercially available diisocyanate (MDI prepolymer). It was shown that thermostability of PUs was higher when using ester-containing pseudo-telechelic diols. In contrast, the amide groups increase the glass transition temperature of PUs through hydrogen bonding and also accelerate the network formation by acting as catalyst. Finally we showed that the higher the chain length in between functional groups the higher the softness of the PUs.
Literature-evidence base: Students as Partners

This literature review is an introduction to the wealth of growing research currently published on engaging with students as partners (SaP) in learning and teaching in higher education. The intended audience for this review are colleagues new to the research and scholarship in this area. We present a curated review introducing how scholars define or frame ‘students as partners’ along with highly cited models, followed by an overview of the benefits and barriers reported in the literature. Some exemplary case studies are selected to demonstrate the variation in how this work is put into practice. The Key intent is to position UQ’s approach to SaP in relation to the literature.
The Distribution of Lignin in White Birch Wood as Determined by Bromination with TEM-EDXA

Ultraviolet absorbance and bromine uptake were measured on various morphological regions of birch wood. To facilitate precise comparison, observations were made on identical locations in successive cross sections. From the data, the concentration of lignin and the ratio of the guaiacyl to syringyl residues were determined. The results obtained were then compared with the previous findings from the use of UV microscopy alone.
Preparation and evaluation of immunosorbents for selective trace enrichment of phenylurea and triazine herbicides in environmental waters

The development of new immunosorbents for the selective solid-phase extraction of phenylurea and triazine herbicides from environmental waters is presented. The production and purification of polyclonal antibodies against isoproturon and atrazine are described. The immunoconjugates were characterized by electrospray mass spectrometry before immunization of rabbits. Silica-based sorbents were shown to be more effective than rigid hydrophilic polymers for the covalent coupling of antibodies because no nonspecific interactions occurred between analytes and the silica matrix. Off-line enrichment using cartridges shows that the immunosorbent can trap several analytes in the same group (9 in a mixture containing 13 phenylurea herbicides, and 6 in a mixture containing 9 triazine herbicides). A stepwise elution with increasing amounts of methanol showed that the analytes had different affinities for the immunosorbents. The elution conditions were found to be similar for the two immunosorbents, and 70% methanol was necessary for the efficient desorption of all the analytes. High selectivity was illustrated by analyzing Seine river samples spiked with mixtures of phenylurea or triazine herbicides. No interfering compounds were detected in the chromatograms, and the base lines were as clean as those corresponding to drinking water samples. Isoproturon was easily detected in surface waters at the 0.1 μg/L level with no cleanup. These results demonstrate the potential of such immunosorbents for the selective preconcentration of herbicides for multiresidue analysis. The identification of herbicides in unknown samples is strongly supported by the selective preconcentration.
The use of near-infrared reflectance spectroscopy (NIRS) in the prediction of chemical composition and in vitro neutral detergent fiber (NDF) digestibility of Italian alfalfa hay

Abstract The objective of the present work was to develop calibration equations for the prediction of chemical composition and forage digestibility from different populations of alfalfa hay harvested in Parmigiano-Reggiano cheese production area of Northern Italy. Due to annual climatic variations that affect soil and growing conditions and consequently cause high variability in chemical and physical composition, 319 hay samples from four years were used to build robust calibration. NIRS calibration equations were developed for the prediction of in vitro NDF digestibility (IVNDFd) and 20 chemical parameters (dry matter, starch, fat, sugar, fiber fractions, crude protein, nitrogen fractions and some minerals) of Italian hay. The results obtained show that NIRS equations greatly explain the variation in the composition existing in alfalfa hays grown in Northern Italy, except for a few parameters characterized by low variability range value. The equations obtained for the prediction of biological and chemical parameters explain the major part of the variation existing in the reference data, which open great prospects for the use of NIRS in planning feeding strategies of livestock, based on alfalfa forage.
Hybrid hydrogels of hyperbranched poly(ether amine)s (hPEAs) for selective adsorption of guest molecules and separation of dyes

We herein report a novel hybrid hydrogel (SiO1.5-hPEAs-Gels), which was fabricated by the direct hydrolysis of trimethoxysilyl groups containing hyperbranched poly(ether amine)s (TMS-hPEAs) in water. The adsorption behaviors of guest molecule dyes by the obtained SiO1.5-hPEAs-Gels were investigated systematically. The adsorption process was found to follow pseudo-first-order kinetics at the initial stage, but followed pseudo-second-order kinetics at later stages. SiO1.5-hPEAs-Gels exhibited a quick adsorption of guest dyes such as Ponceau S (PS), Rose Bengal (RB), Neutral Red (NR) and Methyl Orange (MO) with a high adsorption capacity (Qeq), and very slow adsorption of Methylene Blue trihydrate (MB) and Rhodamine 6G (R6G) with a low adsorption capacity. The big difference in the adsorption behaviors of dyes indicated that the SiO1.5-hPEAs-Gels can adsorb guest molecules selectively. Based on these results, we demonstrated a method for dynamic separation of a mixture of dyes, which can be controlled by the contact time. For example, SiO1.5-hPEA211-Gel can adsorb and remove only PS selectively from a mixture of PS/MB. These characteristics will give SiO1.5-hPEAs-Gels potential for controlled separation.
An Analysis of Conductive-Probe Atomic Force Microscopy Applied to the Study of Electron Transport Mediating Properties of Self-Assembled Monolayers

We use conductive-probe atomic force microscopy (CP-AFM) and an AFM based nanolithographic technique, called nanografting, to investigate the electron transport mediating properties of self-assembled monolayers (SAMs) of thiols on gold surfaces. We investigated many factors that can influence the measurements, including the contact nature, the roughness of the substrate, the magnitude of the applied normal load, the diversity of different probes, and the tip wearing during the measurements. All these factors influence the measured current value but to a very variable extent. Molecules and impurities adsorbed at the tip/substrate interface are found to be the major cause of the spread of the experimental results. Our work results in the clarification of a series of phenomena to which more attention should be paid in future experimentation.
Temperature and cavitation

Pressure, density, and temperature are the fundamental thermodynamic parameters. In a liquid flow field, once the local pressure drops to the saturated pressure, the liquid vapourizes and local cavitation occurs. The cavitation region of the flow is characterized by a mixture of liquid and vapour. Vapourization is an endothermic process. However, in the literature of the past several decades, this vapourization induced thermal effect was sometimes ignored in cavitating flows, and the temperature was always assumed as a constant in the whole flow field. In order to gain a deep insight into the mechanism of cavitation, temperature effects of cavitation are hereby investigated in this paper. An appreciable temperature drop has been found when cavitation occurs, which suggests that thermal effects in cavitating flows from the view of thermodynamics may be of great value to understand the mechanism of cavitation.
Remediation of Contaminated Soils by Solvent Flushing

Solvent flushing is a potential technique for remediating a waste disposal/spill site contaminated with organic chemicals. This technique involves the injection of a solvent mixture (e.g., water plus alcohols) that enhances contaminant solubility, reduces the retardation factor, and increases the release rates of the contaminants. A simulation model is developed to predict contaminant elution curves during solvent flushing for the case of one‐dimensional, steady flow through a contaminated medium. Column experiments are conducted with a Eustis fine sand that is initially equilibrated with an aqueous naphthalene solution, and then eluted with different methanol‐water mixtures to remove the naphthalene. The model simulations, based on parameter values estimated from literature data, agree well with the measured elution profiles. Solvent flushing experiments, where the soil was initially equilibrated with a solution of naphthalene and anthracene, show that compounds with different retardation factors are separated at low cosolvent contents, while coelution of the compounds occurs at higher contents. In general, the smaller the retardation factor in water and the higher the cosolvent fraction, the faster the contaminant is recovered. The presence of nonequilibrium conditions, soil heterogeneity, and type of cosolvent will influence the time required to recover the contaminant.
Rain False-Alarm-Rate Reduction for CSCAT

In tropical regions, Ku-band scatterometer observations are affected by heavy rain, and affected data are labeled in the quality control (QC) step during wind product generation. This is achieved by setting thresholds for QC indicators. Among the applied indicators, it has been shown that $J_{\mathrm {oss}}$ can be beneficially applied for reducing the false alarm rate (FAR) for Ku-band observations for data sets collocated to C-band observations. In this letter, the FAR reduction method based on $J_{\mathrm {oss}}$ is further generalized to be tested without collocated C-band observations, which extension is subsequently applied to the CSCAT wind products. Results prove the effectiveness of the FAR reduction method without C-band collocations for Ku-band scatterometers. Verification with rain rates from the Global Precipitation Mission (GPM) proves the capability of the recruited data set to benefit nowcasting applications. Moreover, the results of this research indicate the consistency of products in rainy conditions for the new rotating-fan-beam CSCAT and the existing rotating-pencil-beam Ku-band scatterometers. Further research would be to analyze detailed rain effects in different rain development stages in a wind vector cell (WVC) for tropical regions.
Virial Expansion Providing of the Linearity for a Unit Compressibility Factor

We show that the law of linearity for a unit compressibility factor testifying a lot of experimental data for many substances can be provided by appropriate procedure following from the rigorous consequences of statistical mechanics, namely, the virial expansion. An equation of state that includes the terms up to the fourth power of density is obtained by using second and third virial coefficients. The critical point parameters, phase densities, and pressure along the liquid-gas coexistence curve for the Lennard-Jones (6-12) (LJ) and Buckingham (exp6) potentials are defined. The results corresponding to the LJ potentials are in good agreement with the solution of integral equations and simulation results. For the Buckingham potentials, our predictions agree well with the experimental data for the group of real substances, satisfying the law of corresponding states.