Miracle-dz/UniFAR-FTUs huggingface dataset:
Adsorption and Surface Reactivity on Single-Walled Boron Nitride Nanotubes Containing Stone−Wales Defects

Adsorption of chemical species H, O, CO, H2, O2, H2O, and NH3 on the sidewall of zigzag (8,0) and armchair (5, 5) boron nitride nanotubes (BNNTs) is studied using density-functional theory. Particular attention is paid to searching for the most-stable configuration of the adsorbates at a perfect site (PS) and near a Stone−Wales (SW) defect, and the surface reactivity at the PS and near the SW defect. Reactivity near the SW defect is generally higher than that at the PS because of the formation of frustrated B−B and N−N bonds and the local strain caused by pentagonal and heptagonal pairs. O2 is prone to dissociative chemisorption near SW defects, but is more likely physisorbed at the PS. The adsorption of H2O and NH3 on the sidewall of BNNT can be described as molecular chemisorption due to modest interaction between HOMO of H2O or NH3 with LUMO of BNNT. Adsorption of NH3 can affect electronic properties of BNNT through lifting the Fermi level. As such, NH3 can be viewed as an n-type impurity. CO and H2 ca.
Smoking Model: Evaluating the Dynamics of Tobacco Smoking in Australia

It is becoming increasingly accepted that smoking tobacco causes a wide range of deleterious health issues, including death. Awareness of these issues has resulted in a declining rate of smoking in Australia. However, the healthcare cost burden to the Australian Government remains high because of costs associated with anti-smoking campaigns coupled with the legacy effects of people who no longer smoke but still carry the health effects of when they did smoke. In this paper we present a system dynamics (SD) model (Smoking model) that is being developed to evaluate how tobacco smoking can be managed over time, whilst accounting for potential lag effects in the healthcare costs to Government. The model also aims to assist in estimating the impacts of certain interventions on the smoking prevalence over time to consider their effectiveness and role in policy making. The Smoking model is part of a teaching platform, called the UQ Cases project, which is scheduled to be completed by January 2020. This SD model is framed around the problem of the ongoing challenge of managing smoking in Australia. Decision-making in the model encompasses both economic (i.e. revenue from excise versus healthcare costs) and non-economic aspects (i.e. moral obligation to decrease smoking due to the deleterious health issues). A causal loop diagram (CLD) was constructed to provide the qualitative template for the SD model and featured prominent reinforcing and balancing loops that helped explain the observed behaviour from historical data. A SD model has been built from this CLD and is currently under development and testing. Preliminary testing indicates that the model captures the behaviour of the system e.g. smoking rates decline faster in response to Government interventions (tax increase, antismoking campaigns, plain packaging) but the cost of such interventions is not necessarily offset by reductions in healthcare recovery (from reducing smoking rates). Once the SD model testing is finalised, it will be used to evaluate the efficacy of Government interventions (policy evaluation), which will be presented at a later stage.
Ab Initio Study of Hydrogen Desorption from Diamond C(100) Surfaces

The desorption potential energies of a hydrogen molecule from hydrogenated diamond C(100) surfaces have been calculated by the ab initio pseudopotential method. We found that a dihydride surface is less stable than a monohydride surface and that hydrogen desorption can be expected to occur from the dihydride instead of the monohydride phase of a C(100) surface, from a detailed analysis of the activation energy for adsorption and desorption of hydrogen molecules from C(100) surfaces. The theoretical values of the desorption energies are in good agreement with the experimental ones.
EFFECT OF POTASSIUM HUMATE FOLIAR APPLICATION ON YIELD AND QUALITY OF SOYBEAN (GLYCINE MAX L.) GROWN ON CALCAREOUS SOIL UNDER IRRIGATION WATER REGIME

Soybean (Glycine max L.) is a legume native to East Asia that is widely used for its edible beans. It has numerous uses, such as fat-free soybean meal with cheap source of oils and vegetable protein, which is suitable for both humans and animals. A field study was carried out during two summer seasons 2016-2017 at El-Nubaria Agricultural Research Station, Ministry of Agriculture and Land Reclamation (MALR), Egypt, to investigate the potential of potassium humate (K-humate) to improve soybean productivity under water stress conditions. Potassium humate foliar application treatments (control, K-Humat1 = 1 gm / L, K-Humat2 = 2 gm / L and K-Humat4 = 4 gm / L) were applied twice per season with two irrigation treatments (14 and 21 days). The treatments included a 14-days irrigation treatment with 100% water demand (adequate irrigation) and a 21-days irrigation treatment (deficit or regim irrigation). Foliar application of potassium humate mitigated water stress damage in soybeans by increasing the growth and production of antioxidants such as proline and protecting both protein and chlorophyll from free radical degradation. Foliar application of potassium humate increased the growth, grain yield and oil content of soybeans under water stress conditions as a 21-days irrigation treatment. The results of the experiments showed that the foliar application of potassium humate in an amount of 4 gm / L under water stress is an effective strategy for improving soybean productivity compared to others. grain yield (1795 kg / fed.) was obtained with 2 gm / L Khumate foliar spray as a relative increase of 41% in a 14-days irrigation treatment. The highest value of grain yield (1344 kg / fed) was achieved with 4 gm / L Khumate in 21 days irrigation with relative increase being 41%.
The Effect of Calcination Temperature Variation on the Sensitivity of CO Gas Sensor from Zinc Oxide Material by Hydrothermal Process

Carbon monoxide (CO) is a poisonous gas and could be lethal towards human. A sensitive CO gas sensor isnecessary to prevent accidents caused by CO gas. ZnO is a semiconductor material having many applicationsincluding gas sensors. However ZnO is rarely reported to be used as CO gas sensor material. Therefore, in thisresearch, CO gas sensor has been prepared from ZnO material synthesized via hydrothermal process at 100°C for24 hours using ZnCl2 powder and NH4OH solution. The resulted ZnO gel was subsequently dried andspin-coated on a glass substrate. The ZnO-coated glasses were then calcined at various temperatures of 500°C,550°C, and 600°C for 30 minutes. Scanning Electron Microscope (SEM), X-Ray Diffraction (XRD),Brunauer-Emmet-Teller (BET) analysis were used to characterized the morphology, structure and active surfacearea of ZnO. The sensitivity of the ZnO material towards CO gas was measured using a potentiostat in achamber with operating temperatures 30°C, 50°C, and 100°C with each of gas concentration 10 ppm, 100 ppm,250 ppm, and 500 ppm. It was found that the sample calcined at 550oC showed the highest sensitivity towardsCO gas (0.82) due to the highest active surface area (47.2 m2g-1). It was also observed that the sensitivityincreased with the increasing of operating temperature and CO gas concentration.
Synthesis of Isomerically Pure Organodihydrofullerenes

Controlled two-step nucleophilic hydroalkylations, hydroar-ylations as well as hydrostannylations of fullerene-60 (1) and fullerene-70 (2) lead to defined organodihydrofullerenes C60HR and C70HR. NMR investigations show that only one isomer of each organodihydrofullerene with Cs symmetry is formed. In all cases the addition takes place at a double bond separating two six-membered rings of the fullerene core. In this way a variety of organodihydrofullerenes also carrying functional groups have been synthesized.
Filmes biodegradáveis à base de proteínas miofibrilares de pescado

The objective of this work was to study the physical, mechanical and barrier properties of the films produced from different concentrations of myofibrillar proteins of fish. The fish used was croaker (Micropogonias furnieri), which was gutted and filleted. The myofibrillar proteins were obtained through the muscle with successive washes with distilled water. The films were made with 3, 4 and 5% of myofibrillar proteins by the method of casting. The films were analyzed by thickness, solubility, opacity, tensile strength, elongation and water vapor permeability (PVA). The increase of myofibrillar proteins concentration in the films increased thickness, opacity, tensile strength and water vapor permeability and reduced elongation at break of the film.
Factors Affecting Project Governance in Ethical Decision Making for Public Sector Project Procurement – A Delphi Study

Managing public sector projects in Malaysia is a unique challenge. This is because of the ethical issues involved during the project procurement process. These ethical issues need attention because they will have an impact on the quality, cost and time of the project itself. The ethical issues here include conflict of interest, bid shopping, collusive tendering, bid cutting, corruption and the payment game. Extensive research has been conducted on the ethical issues in the tendering process or the award phase of project management. There is a lack of studies looking at the role of clients, including the government client, in relation to unethical practice in project procurement in the public sector. It is important to understand that ethical issues not only involve the contractors and suppliers but also the clients. A Delphi study was conducted with the assistance of a panel of experts consisting of practitioners that have expertise in the area of project governance and project procurement as well as academician, which further considered the relationship and the influence of the criteria and indicators of ethical decision making (EDM) and project governance (project criteria, organisational culture, contract award criteria, individual criteria, client’s requirements, government procedures and professional ethics). Through the identification and integration of the factors and EDM criteria as well as the project governance criteria and EDM steps for ethical issues, a PGEDM framework was developed to promote and drive consistent decision outcome in project procurement in the public sector.
Models for the Biodegradation Kinetics of Naphthalene by Ralstonia Eutropha

Biodegradation of naphthalene (naph.) by a pure culture of Ralstonia eutropha was studied. Dissolution of naph. in aqueous solution was provided by using Tween-80 nonionic surfactant. By developing the solubility curve, the molar solubility ratio (MSR) was determined (0.8081). The effects of Tween-80, initial-pH, and naph. concentration on the R. eutropha growth and its naph. degradation capability were investigated. Degradation of naph. at 50 mg/L was complete within 52 h in the presence of 1.6 mM Tween-80 at pH 7. Haldane, Webb, Aiba, and Edwards, as the growth inhibitory kinetic models, were used to mathematically describe the inhibitory characteristic of naphthalene and the results were evaluated using nonlinear regression technique. The values of root mean square error (RMSE) and the correlation coefficient (R2) showed appropriateness of approach taken in the present study (RMSE≈ 3×10−3, R2≈ 0.99). Importance of the mechanistic view of these types of mathematical models has been emphasized.
“Ganoderma lucidum sensu lato” – a sacred mushroom for immortality

Ganoderma lucidum sensu lato, is an ancient Chinese mushroom commonly known as “Reishi” or “Linghzi” which has been used for nutritional and therapeutic purposes. Reishi is a basidiomycete widely distributed in temperate and tropical regions. Among 2000 classes of Reishi, only 6 types are commonly presented to be effective for therapeutic purpose. These 6 types were known as black, red, blue, yellow, white and purple, respectively. Main constituents of Reishi are Polysaccharides, Triterpenoids, Sterols and Proteins. Reishi has been clinically used as immune system modulator, antiviral, cytotoxic agent, antibacterial, hepatoprotective, anti-inflammatory and also in the treatment of neurological disorders. The wide clinical scope of Reishi has influenced to name it in English with the nickname of “the mushroom of immortality”.
The effect of thermal agitation on atomic arrangement in alloys

When two metals are allowed together in various proportions, a series of solid phases is formed. A characteristic phase diagram of a binary alloy system has regions of single phase, throughout which the alloy is homogeneous, alternating with regions in which two neighbouring phases coexist. The composition of a single phase can be varied continuously over a certain range. This feature of an alloy is in contrast to tire constant atomic ratio of a chemical compound, and is explained by the nature of the binding forces in an alloy which are predominantly those between the metal atoms of both kinds on the one hand and the common electronic system on the other hand, as opposed to the binding forces between atom and atom which predominate in other chemical compounds. Not only may the atomic ratio in a given phase be varied, but also an orderly space distribution of one kind of atom relative to the other, as found in topical chemical compounds, does not necessarily exist in an alloy. Although each phase is distinguished by possessing a characteristic crystalline structure which differs from that of other phases in the same alloy system, yet this structure may be merely an orderly arrangement of sites occupied by atoms. The manner in which the atoms are distributed amongst the sites of a given phase is often variable, and is, for instance, affected by the thermal treatment which the alloy has undergone.
Throughcare and VET for adult prisoners and offenders within the New South Wales Department of Corrective Services

'Throughcare' is a coordinated and integrated approach to reducing re-offending by people who are the responsibility of the New South Wales (NSW) Department of Corrective Services. Central to the concept of throughcare is the assessment of offenders' risks and needs and the concomitant provision of appropriate programs that target needs and account for various levels of risk. Throughcare also involves the establishment of links between the NSW Department of Corrective Services and other government and non-government agencies that support the successful return of ex-offenders to the community. Education programs support throughcare by providing offenders with opportunities to develop the basic education and the employability and vocational skills needed to gain and maintain employment. The work experience and vocational training provided within Corrective Services Industries further enhance the likelihood that offenders will successfully reintegrate into the community post-release. The NSW Department of Corrective Services also implements a range of pre-release transitional support strategies. Education programs and education staff are integral components of many of these strategies. In addition, community-based programs, such as the NSW Corrective Services' Community Offenders Services and the TAFE NSW initiative the Pathways to Employment Education and Training Program, enhance throughcare by supporting offenders to re-engage with training and develop the skills to enter employment and/or vocational training.
Syringyl-type simple plant phenolics as mediating oxidants in laccase catalyzed degradation of lignocellulosic materials: Model compound studies 10th EWLP, Stockholm, Sweden, August 25–28, 2008

Abstract The utility of simple syringyl-type phenolics of plant origin and some common synthetic compounds were compared with regard to their ability to act as laccase mediators in the oxidation of non-phenolic lignin model compounds. It was demonstrated that syringyl-type phenols, especially acetosyringone and methyl syringate, were able to mediate the oxidation of substrates of high oxidation potential by a laccase with a low redox potential. A mediator dose around 10% showed good performance compared to the equimolar quantities needed when the synthetic compounds 1-hydroxybenzotriazole or N-hydroxyacetanilide were used.
Experimental Study on the Creation of Nanodots with Combined-Dynamic Mode “Dip-Pen” Nanolithography

The combined-dynamic mode DPN (CDDPN), rather than mostly used contact mode DPN or tapping mode DPN, becomes the important tool for the creation of nanodots with the direct-writing method of depositing the ink onto the substrate surface at the predetermined position. However, successful examples of using CDDPN to fabricate nanodots are relatively few, and the formation process and the size of nanodots are affected by various factors, such as humidity, substrate material, contact time and surface roughness. So the influences of various factors on nanodots are explored through the experimental method. The results are that the nanodots become larger with the increase of the relative humidity and the roughness of the surface, respectively; similarly, the nanodot is created easily on the soft surface with hydrophilicity in the longer contact time; in addition, for the better nanolithography quality of the nanodot, the nanolithography process, under the optimized influence parameters, is accomplished once without the intermediate scan imaging process as much as possible.
Wage Markdowns and FDI Liberalization∗

This paper examines how liberalization of inward foreign direct investment (FDI) affects firm’s monopsonic power over the wage. We estimate firm-level “wage markdown,” the gap between the wage and the marginal revenue of labor (MRL), from plant-level production data of China. Our estimation framework assumes no specific micro-foundation or functional form about labor supply curves to individual firms and simultaneously estimate output markups. We estimate the causal effect of FDI liberalization on wage markdowns, using variations in China’s regulation on FDI inflow upon its accession to the WTO in 2001. In contrast to the conventional wisdom, markdowns are narrower at large employers and FDI liberalization widens the average wage markdown by 3.7%. We show these findings are consistent with a modern theory of labor monopsony based on search friction.
Rapid Spectrophotometric Analysis of the Chemical Composition of Tobacco: Part 1: Total Reducing Sugars

Abstract The log10 (1/R) spectra, from 1.4 to 2.4 µm, of 152 samples of comminuted samples of tobacco were recorded on a computerized spectrophotometer. The parameter d2 (log (1/R)) / d λ2 was calculated for each spectrum and correlated with chemical analyses of total reducing sugars using the method proposed by Harvey et al. (12). A nine-term multiple-linear regression relating the above parameter at seven different wavelengths to total reducing sugar gave a correlation coefficient of 0.990 and a standard error of ± 1.15 percent. Instrument noise was found to contribute over 50 percent of the total variance.
Empathy, Styles of Humor and Social Competence in University Students

Social competence is an important field of study as it encourages the development of important factors that support an individual to become a mature and productive member of the society. The research investigated whether empathy and styles of humor are the predictors of social competence in University students. Another objective was to find out gender differences in empathy, styles of humor and social competence. The sample included 186 university students, both male (n=93) and female (n=93) via multi-stage sampling technique. It was hypothesized that social competence can significantly be predicted by empathy (fantasy empathy, empathic concern, perspective taking empathy, personal distress) and styles of humor (affiliated humor, self-enhancing humor, aggressive humor and self-defeating humor). Correlational design was used to infer the proposed hypotheses. Interpersonal Reactivity Index (Davis, 1980), Humor Styles Questionnaire (Martin, Martin, PuhlikDoris, Larsen, Gray, &Weir, 2003) and Interpersonal Competence Questionnaire (Buhrmester, Furman, Wittenberg, & Reis 1988) assessed empathy, styles of humor and social competence. Hierarchical regression analysis revealed that empathic concern and self-enhancing style of humor significantly predict social competence. No significant difference across gender was found in empathy and social competence among university students. However, “maladaptive styles of humor” were used more by male students as compared to female students. Implications for forthcoming research are hereby discussed.
One-step Hydrothermal Method to Synthesize Self-encapsulated ZnS Micron Core-shell Spheres on a Large Scale

Uniform self-encapsulated ZnS micron core-shell spheres have been synthesized on a large scale using metallic zinc powder and NaHSO 3 as starting reagents in distilled water at 200 C for 50h. The as-prepared samples are characterized with XRD, FE-SEM, TEM, and PL. A possible formation mechanism is briefly discussed.
Theoretical Model for Predicting Thermal Efficiency of a Self-Aspirating Burner with Preheated Air

In this work, a novel method of prediction is proposed for the thermal efficiency of self-aspirating burners (high-pressure burner type i.e. KB-5 size). The objective is to present an analytical method to calculate the highly-idealized thermal efficiency (th,cal) of burners with preheated air and then compared with some experimental values (th,exp) to validate the model. In addition, the effects of firing rate and preheated air temperature on the primary aeration, secondary aeration, total equivalence ratio, adiabatic flame temperature, and thermal efficiency were examined. Moreover, these studies were also performed for both with preheated and non-preheated cases of combustion air. It is found that the model predictions agree with the experimental data. The preheated air case gives about 9.88% higher th,exp than that of the non-preheated case. An increase in the maximum th,exp from 44.08% to 53.96% using the heatrecirculation is observed. It is clearly seen that the thermal efficiency for the theoretical results is greater than that of the measured ones owing to the imposed assumptions such as complete combustion and no heat loss from flame to the environment. Thus, the obtained empirical formula in this work may provide helpful information for the future design, development and improvement of a high-performance, low emission, self-aspirating burner with preheated primary air.
LIQUID-LIQUID EQUILIBRIA OF SOME WATER + 2-PROPANOL + SOLVENT TERNARIES

Experimental liquid-liquid equilibrium data were obtained at 293.16±0.30 K and 0.1013±0.0020 MPa for nine water+2-propanol+solvent systems. An adequate high-bolling solvent, 2-methylbutyl acetate, was proposed for separating 2-propanol from dilute aqueous solutions