https://nova.newcastle.edu.au/vital/access/manager/Index ${session.getAttribute("locale")} 5 https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:52323 Wed 28 Feb 2024 15:30:11 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:54557 Wed 28 Feb 2024 10:25:41 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:45243 1H nuclear magnetic resonance, dynamic light scattering (DLS), and transmission electron microscopy techniques. The CT-capped gold nanoparticles (CTAuNPs) were prepared from CT, chloroauric acid, and NaBH₄. The CTAuNPs were characterized using ultraviolet–visible, high-resolution TEM, DLS, and Fourier transform IR techniques. The cytotoxicity and apoptosis-inducing ability of both nanoparticles were determined in HepG2 cells. The results demonstrate that CTNs exhibit antiproliferative activity in the cancerous HepG2 cells. Moreover, molecular docking and molecular dynamics studies were conducted to explore the therapeutic potential of CT against human EGFR suppressor protein to gain more insights into the binding mode of the CT, which may show a significant role in anticancer therapy.]]> Wed 26 Oct 2022 15:56:50 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:45239 1H nuclear magnetic resonance, dynamic light scattering (DLS), and transmission electron microscopy techniques. The CT-capped gold nanoparticles (CTAuNPs) were prepared from CT, chloroauric acid, and NaBH₄. The CTAuNPs were characterized using ultraviolet–visible, high-resolution TEM, DLS, and Fourier transform IR techniques. The cytotoxicity and apoptosis-inducing ability of both nanoparticles were determined in HepG2 cells. The results demonstrate that CTNs exhibit antiproliferative activity in the cancerous HepG2 cells. Moreover, molecular docking and molecular dynamics studies were conducted to explore the therapeutic potential of CT against human EGFR suppressor protein to gain more insights into the binding mode of the CT, which may show a significant role in anticancer therapy.]]> Wed 26 Oct 2022 15:56:20 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:50474 Wed 26 Jul 2023 15:55:20 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:42538 Wed 24 Aug 2022 16:04:24 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:51163 Wed 23 Aug 2023 17:30:50 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:51161 Wed 23 Aug 2023 17:23:28 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:45366 Cu (∼95.01 to 90.53%) > Cd (∼92.5 to 55.25%) > Ni (∼80.85 to 50.6%), even in the presence of 0.01/0.001 M of CaCl2 and Na2SO4 as background electrolytes and charged organic molecule under an environmentally relevant concentration (200 μg/L). The maximum adsorption capacities of Ni, Cd, Cu, and Pb were calculated as 2.85 ± 0.08, 6.96 ± 0.31, 16.87 ± 1.50, and 26.49 ± 2.04 mg/g, respectively. HNT-BC@Alg has fast sorption kinetics and maximum adsorption capacity within a short contact time (∼2 h). Energy-dispersive X-ray spectroscopy (EDS) elemental mapping exhibited that adsorbed heavy metals co-distributed with Ca, Si, and Al. The reduction of surface area, pore volume, and pore area of HNT-BC@Alg (after sorption of heavy metals) confirms that mesoporous surface (2–18 nm) supports diffusion, infiltration, and interaction. However, a lower range of mesoporous diameter of the adsorbent is more suitable for the adsorption of heavy-metal ions. The adsorption isotherm and kinetics fitted well with the Langmuir isotherm and the pseudo-second-order kinetic models, demonstrating the monolayer formation of heavy-metal ions through both the physical sorption and chemical sorption, including pore filling, ion exchange, and electrostatic interaction.]]> Wed 20 Mar 2024 15:10:50 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:40950 Wed 20 Jul 2022 13:51:23 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:52849 Wed 14 Feb 2024 15:39:14 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:51668 Wed 14 Feb 2024 15:32:22 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:54800 Wed 13 Mar 2024 11:41:28 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:39803 1 nanoprobe for noninvasive visualization of biological events. However, the structure–relaxivity relationship and regulatory mechanism of UFNPs remain elusive. Herein, we developed chemically engineered 3.8 nm ZnxFe₃–xO4@ZnxMnyFe_3–x–x–yO₄ (denoted as Zn_xF@Zn₄Mn₄F) nanoparticles with precise dopants control in both crystalline core and disordered shell as a model system to assess the impact of dopants on the relaxometric properties of UFNPs. It is determined that the core–shell dopant architecture allows the optimal tuning of r1 relaxivity for Z_0.40.4F@Zn_0.40.4Mn_0.2F up to 20.22 mM^–1 s^–1, which is 5.2-fold and 6.5-fold larger than that of the original UFNPs and the clinically used Gd-DTPA. Moreover, the high-performing UFNPs nanoprobe, when conjugated with a targeting moiety AMD3100, enables the in vivo MRI detection of small lung metastasis with greatly enhanced sensitivity. Our results pave the way toward the chemical design of ultrasensitive T₁ nanoprobe for advanced molecular imaging.]]> Wed 10 Aug 2022 13:11:25 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:44477 Desmodesmus sp. MAS1 and Heterochlorella sp. MAS3, were assessed for their ability in iron (Fe) removal from an AMD sample in nonimmobilized and immobilized systems. Use of free and immobilized cells exhibited 46−48% and 65−79% Fe removal, respectively, after 48 h of incubation. Compared with free cells, immobilized cells exhibited no apparent changes in morphology and granularity, as revealed by flow cytometry analysis, after their exposure to AMD samples. The second derivative spectra from Fourier transform infrared spectroscopy showed vibrational stretching for proteins and hydroxyl groups in immobilized cells. Thus, the immobilization technology offers a protective mechanism in acid-adapted strains against Fe present in AMD samples. Analysis of the immobilized acid-adapted microalgal technology by life cycle assessment (LCA) revealed its environmental sustainability because of less contribution to global warming and limited fossil fuel consumption. We demonstrated that the immobilized acid-adapted microalgal technology is much superior to calcined eggshell−microalgal or conventional limestone systems indicated in the literature for AMD treatment. Thus, this is the first study describing the potential application of microalgal cells entrapped in alginate beads in a greener and economical approach to treat AMD for sustainable mining.]]> Wed 07 Feb 2024 16:37:48 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:45435 2O₃ catalyst for the hydrogenation of carbon oxides, in the presence of light hydrocarbons, was studied. Ni/Al₂O₃ displayed a high activity for the complete conversion of CO and CO₂ to methane and C₂₊ hydrocarbons. Moreover, over a discrete and relatively narrow temperature range, the net concentration of light C₂₊ hydrocarbons was elevated, with the exit stream containing a higher concentration of C₂₊ species than was present in the feed stream and the product stream being virtually free of carbon oxides. It is found that the addition of manganese can enhance the selectivity toward the production of light hydrocarbons. A series of Ni–Mn/Al₂O₃ catalysts, prepared with different Ni/Mn ratios, were studied. Various characterization techniques such as X-ray diffraction (XRD) analysis, CO and H₂ chemisorption, in situ nitric oxide adsorption Fourier transform infrared spectroscopy (NO-FTIR), and temperature-programmed reduction (TPR) were performed to gain an insight into how the addition of Mn to the primary catalyst enhances the yield of light hydrocarbons. The origin of Mn promotion was demonstrated through density functional theory (DFT) calculations, which revealed the favorable Mn substitution at the Ni(211) step edge sites under reducing conditions. The affinity of these Mn species toward oxidation stabilizes the CO dissociation product and thus provides a thermodynamic driving force that promotes C–O bond cleavage compared to the Mn-unmodified catalyst surface.]]> Wed 07 Feb 2024 15:34:43 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:40637 0), enthalpically and entropically influenced. Increasing the incubation period and heat treatment resulted in a decrease of Be desorption and migration. The soil clay content and pH were the primary factors influencing Be desorption, and the results suggested that Be was desorbed from metal oxyhydroxides and surfaces of silicates (e.g., reactive surfaces of clay minerals), organic matters, and soil pores. Because of high Kd values, the mobility of Be was limited, and no exceedances of ecological or human health risk index or guidelines were determined for the current contamination levels at the site. However, Be released from the waste trenches has the ongoing potential to increase Be concentration in the soil.]]> Wed 07 Feb 2024 15:22:49 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:54643 Wed 06 Mar 2024 20:26:37 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:40216 Wed 06 Jul 2022 16:33:36 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:44037 Wed 05 Oct 2022 15:25:40 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:48752 Wed 05 Apr 2023 13:48:45 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:47177 Tue 21 Mar 2023 18:09:43 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:39144 1H NMR, ¹³C NMR, ³¹P NMR, ¹⁹F NMR, and ¹¹B NMR) and 2D NMR (COSY, HSQC, and HMBC) analyses, high-resolution mass spectrometry, and chemical tests (primarily the silver nitrate test). Preliminary thermal analysis tests by thermogravimetric analysis show all novel RTILs display remarkably high thermal stabilities (386–474 °C). Differential scanning calorimetry data show low glass transitions ranging from −36 to −72 °C, which suggests good free volume and ion mobility.]]> Tue 17 May 2022 14:12:41 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:46316 1, inhibits hexokinase, suggesting that it will be phosphorylated in the cell. A Co(III) complex incorporating this ligand and coumarin-343 hydroximate (C343ha), [Co(C343ha){tpa(CONHPEGglucose)₁}]Cl, is shown to exhibit glucose-dependent cellular accumulation in DLD-1 colon cancer cells. Cellular accumulation of [Co(C343ha){tpa(CONHPEGglucose)₁}]⁺ is slower than for the glucose null and glucosamine analogues, and the glucose complex also exhibits a lower ability to inhibit antiproliferative activity. Distributions of cobalt (X-ray fluorescence) and C343ha (visible light fluorescence) in DLD-1 cancer cell spheroids are consistent with uptake of [Co(C343ha){tpa(CONHPEGglucose)₁}]⁺ by rapidly dividing cells, followed by release and efflux of C343ha and trapping of the Co{tpa(CONHPEGglucose)₁} moiety. The Co{tpa(CONHPEGglucose)₁} moiety is shown to have potential for the caged and targeted delivery of highly toxic anticancer agents.]]> Tue 15 Nov 2022 11:39:06 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:46263 2 emissions per unit energy generation. They represent some of the primary and intermediate solutions to the world’s energy security. Extensive numerical modeling efforts have been undertaken over the past several decades, which have increased our understanding of the technical problems in HELE boilers, including combustion and boiler performance optimization, ash deposition, and material problems at higher operating temperatures and pressures. Overall, the differences in the physical and chemical models, boiler performance, and ash deposition of oxy-fuel combustion in HELE boilers that recirculate CO₂ and H₂O in the boilers are also discussed in comparison with the combustion of coal in the air. This Review comprehensively summarizes the current research on numerical modeling to offer a better understanding of the technical aspects and provides future research requirements of HELE coal-fired boilers, including boiler performance optimization, ash deposition, and material problems. The effects of changes in the configuration and operating conditions are discussed, focusing on the optimization of boiler performance in aspects such as unburnt carbon and NOx emissions. The paper also reviews the retrofit and optimization of operating conditions and the burner geometry with the low-NOx coal combustion technologies necessary to operate the HELE power plants. In terms of ash deposition, the development of submodels, including particle sticking and impacting behaviors and their effects on the deposit growth predictions under different temperatures, are discussed. Numerical models of the material oxidation and creep in the austenitic and nickel-based alloys generally used in HELE conditions have been developed using the finite element method to predict the availability of advanced alloys and creep life in the actual service time of the boiler parts. The predictions of oxide scale growth and exfoliation on the steam-side and fire-side and the creep strength are analyzed. The review also identifies some further research requirements in numerical modeling to achieve the optimization of coal combustion processes and address the technical problems in advanced HELE power plant operations.]]> Tue 15 Nov 2022 08:05:43 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:50997 Tue 15 Aug 2023 11:31:34 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:54214 Tue 13 Feb 2024 12:01:51 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:46989 Tue 13 Dec 2022 09:35:23 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:38189 2 are the most potent of the greenhouse gases (GHGs), and one of the most promising methods of methane abatement is for methane to be captured through thermal decomposition processes. However, this approach introduces a major safety concern related to methane explosions and flame propagation in coal mines. It is vital that all of the safety issues related to this approach are addressed prior to the implementation of GHG emission control. This study investigates the effectiveness of venting in the event of methane explosions. In addition, the study examines the scaling effects by integrating the experimental results from this study with the data from previous explosion experiments carried out in a smaller scale experimental apparatus. The experimental setup consisted of a 1 m³ explosion chamber connected to a 9.7 m long venting duct. The results indicated that the methane explosion pressure significantly decreased in the venting duct, which, in turn, reduced the deflagration index (class of explosion). The venting approach can reduce the explosion pressure by approximately 83%. The data for the flame propagation inside the venting duct demonstrated the presence of flame acceleration and deceleration patterns at approximately one-third (3.2 m), and at the end of the venting duct, these flame accelerations (second explosion) have not been observed when using a 20 L explosion chamber with a similar venting ratio under identical ignition energies and methane concentrations. The flame front velocity reaching the end of the venting duct was measured at approximately 52 m s^–1.]]> Tue 10 Aug 2021 15:46:46 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:38925 L_c,a/d_002,a and I_G/I_all monotonously increased, while I_D1/I_G and I_D3/I_G monotonously decreased. Additionally, the specific surface area was not considered in the correlations because it was not the main factor affecting the reactivity. The isothermal and non-isothermal gasification reactivities of coal char gradually decreased with the increase of the pyrolysis temperature to some extent. However, I_D1/I_G could act as a rough indicator for evaluating the characteristic temperatures of chars. It was also revealed that the reaction rate was controlled by various chemical structural factors at different stages. Hence, the correlations based on the chemical structure parameters by combining X-ray diffraction and Raman spectroscopy showed credibility on the prediction of char characteristic temperatures as the critical factor varied with the gasification stage.]]> Tue 08 Mar 2022 11:08:23 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:48658 Tue 06 Feb 2024 15:26:51 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:40109 Tue 05 Jul 2022 13:08:50 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:43850 Tue 04 Oct 2022 11:53:40 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:50674 Tue 01 Aug 2023 14:59:08 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:52124 I_h-C₆₀ to investigate the formation mechanisms of fullerenes at high temperature conditions. From the results of these DFTB-MD calculations we were able to develop a thermokinetic model to describe the free energies and kinetics of fullerene formation at a range of temperatures. Direct observation of the mechanism revealed fullerenes readily forming in nanosecond times between 2000 and 3000 K but were hindered above this temperature window. Analysis revealed temperature dependent formation mechanisms where at low temperatures (<2750K) flat graphitic bowls play an important part as metastable intermediates while highly curved bowls follow a direct fast transformation. Meanwhile at higher temperatures (>2750 K), flat bowls become the transitory structure between chains and fullerene. Free energy analysis from our thermokinetic model shows this change in graphitic bowls to being transitory hinders fullerene formation at high temperatures compared to lower temperatures, essentially kinetically trapping C₆₀ as chain networks. This investigation gives new key insights into the formation mechanisms of C₆₀ fullerenes and highlights important intermediates while also illuminating the temperature window for fullerene formation, facilitating better optimization of experimental methods.]]> Thu 28 Sep 2023 15:04:39 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:52094 Thu 28 Sep 2023 14:28:30 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:52782 Thu 26 Oct 2023 15:00:47 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:39790 d) ranged from 5 to 229 mL/g (median: 28 mL/g), with 63% of the Fijian soils and 35% of the Australian soils showing K_d values that exceeded the observed median Kd. Multiple linear regression showed that TOC, amorphous aluminum and iron oxides contents, anion exchange capacity, pH, and silt content, jointly explained about 53% of the variance in PFOS K_d in soils. Variable charge soils with net positive surface charges, and moderate to elevated TOC content, generally displayed enhanced PFOS sorption than in temperate or tropical soils with TOC as the only sorbent phase, especially at acidic pH ranges. For the first time, two artificial neural networks were developed to predict the measured PFOS K_d (R² = 0.80) in the soils. Overall, both TOC and surface charge characteristics of soils are important for describing PFOS sorption.]]> Thu 23 Jun 2022 14:06:17 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:49403 Thu 22 Feb 2024 11:32:12 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:39702 Thu 22 Feb 2024 11:29:44 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:50339 Thu 20 Jul 2023 11:53:13 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:47189 Thu 18 May 2023 14:48:16 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:51060 Thu 17 Aug 2023 10:21:06 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:48429 Thu 16 Mar 2023 14:18:03 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:43271 3N₄) is among the most promising candidates due to fine-tuned band edges and the feasibility of optimizing the optical properties via materials genomics. Constructing a two-dimensional (2D)/2D van der Waals (vdW) heterojunction by allies of 2D carbon nitride sheets and other 2D semiconductors has demonstrated enhanced charge separation with improved visible photon absorption, and the performance is not restricted by the lattice matching of constituting materials. With the advent of new 2D semiconductors over the recent past, the 2D/2D heterojunction assemblies are gaining momentum to design high performance photocatalysts for numerous applications. This review aims to highlight recent advancements and key understanding in carbon nitride based 2D/2D heterojunctions and their applications in photocatalysis, including small molecules activation, conversion, and degradations. We conclude with a forward-looking perspective discussing the key challenges and opportunity areas for future research.]]> Thu 15 Sep 2022 11:55:39 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:49928 polyethylene>nylon>polyester. The concentrations of adsorbed Pb and PFOS were 4-25% and 20-85% higher in aged MFs and varied among the polymer types. The increased contaminant adsorption was linked with the altered surface area and the hydrophobic/hydrophilic characteristics of the samples. Overall, the present study demonstrates that biofilms play a decisive role in contaminant-plastic interactions and significantly enhance the vector potential of MFs for toxic environmental contaminants. We anticipate that knowledge generated from this study will help refine the planetary risk assessment of MPs.]]> Thu 15 Jun 2023 12:09:35 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:39902 Thu 14 Jul 2022 12:11:05 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:48881 Thu 13 Apr 2023 10:00:08 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:48155 Thu 09 Mar 2023 09:37:46 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:42942 R² values of 0.85, 0.77, and 0.91, respectively. Both models are less effective in predicting the enzyme activity retention, however, with R² values of 0.63 or lower. Sensitivity analysis of the input variables revealed the most significant variables for each corresponding output parameter, allowing further optimization of the RFM. The final RFM was then tested with a second unseen dataset collected from experiments. Findings confirmed the validity of the predictive model, including a relative error of less than 25%. Our model can aid in the synthesis of enzyme-MOF biocatalysts by providing valuable estimates of these output parameters for different MOF precursors and enzymes, saving experimental time and cost.]]> Thu 08 Sep 2022 09:00:28 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:46929 Thu 08 Dec 2022 11:24:31 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:51866 Thu 02 Nov 2023 14:47:06 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:49207 Sun 07 May 2023 09:30:11 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:45522 Acinetobacter baumannii, Klebsiella pneumoniae, and Pseudomonas aeruginosa. The combination of polymyxin B and sertraline showed synergistic antibacterial activity in checkerboard and static time-kill assays at clinically relevant concentrations against both polymyxin-susceptible and polymyxin-resistant isolates. The potential antimicrobial mode of action of the combination was investigated against P.aeruginosa FADDI-PA024 using untargeted metabolomics alongside scanning and transmission electron microscopy (EM). Scanning and transmission EM revealed that the polymyxin B and sertraline combination resulted in greater damage to the bacterial cell compared to each drug alone. Metabolomics results showed that the combination significantly affected the bacterial ability to remodel its outer membrane. This was reflected by the major perturbation of glycerophospholipids and fatty acids and the pantothenate and coenzyme A (CoA) pathways, which feed fatty acid elongation (e.g., trans-hexadec-2-enoyl-CoA) as well as inhibit the biosynthesis of lipopolysaccharide and peptidoglycan. The combination also inhibited the polymyxin resistance phosphoethanolamine (pEtN) lipid A modification pathway, indicated by the declined levels of phosphoethanolamine. In summary, the present study highlights the potential possibilities of a polymyxin-sertraline combination for the treatment of infections caused by multidrug resistant Gram-negative bacteria such as central nervous system (CNS) infections via direct intraventricular/intrathecal delivery.]]> Mon 31 Oct 2022 14:09:59 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:49715 Mon 29 May 2023 14:52:38 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:49713 500 programming and erasing cycles. Overall, this study demonstrates a charge carrier polarity change in OFETs fabricated with DPP-based dual-acceptor copolymers by incorporating various acceptors into the polymer backbone and reports a high-performance nonvolatile ambipolar flash memory.]]> Mon 29 May 2023 14:17:44 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:49699 Mon 29 May 2023 12:54:00 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:49701 Mon 29 May 2023 12:53:53 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:48770 Mon 29 Jan 2024 18:51:35 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:39622 Mon 29 Jan 2024 18:49:29 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:50782 Mon 29 Jan 2024 18:40:29 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:50789 2 exhibits superior hydrogen evolution reaction (HER) performance than natural 2H-phase MoS₂ owing to its higher electrical conductivity and abundance of active sites. However, the reported 1T-MoS₂ catalysts usually suffer from extreme instability, which results in quick phase transformation at ambient conditions. Herein, we present a facile approach to engineer the phase of MoS₂ by introducing intercalated hydrazine. Interestingly, the as-synthesized 1T-dominant MoS₂ sample demonstrates excellent ambient stability without noticeable degradation for 3 months. Additionally, the 1T-dominant MoS₂ exhibits superior electrical conductivity (∼700 times higher than that of 2H-MoS₂) and improved electrochemical catalytic performance (current density ∼12 times larger than that of 2H-MoS₂ at an overpotential of 300 mV vs the reversible hydrogen electrode, RHE). Through experimental characterizations and density functional theory (DFT) calculation, we conclude that the stabilization of the metallic phase could be attributed to the electron donation from hydrazine molecules to the adjacent Mo atoms. The phase control strategy in this work provides a guideline to develop other highly efficient and stable two-dimensional (2D) electrocatalysts.]]> Mon 29 Jan 2024 18:35:21 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:52933 Mon 29 Jan 2024 18:32:58 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:39128 –1 even after 1000 cycles at a current density of 1 A g^–1, which is much higher than that of other counterparts comprising s-triazine (C₃H₃N₃, g-C₃N₄), pristine MCN-1, and B-containing MCN-1 (B-MCN-1) subunits or carbon allotropes like CNT and graphene (rGO) materials. The P-MCN-1 electrode also exhibits exceptional rate capability even at high current densities of 5, 10, and 20 A g^–1 delivering 685, 539, and 274 mAh g^–1, respectively, after 2500 cycles. The high electrical conductivity and Li-ion diffusivity (D), estimated from electrochemical impedance spectra (EIS), very well support the extraordinary electrochemical performance of the P-MCN-1. Higher formation energy, lower bandgap value, and high Li-ion adsorption ability predicted by first principle calculations of P-MCN-1 are in good agreement with experimentally observed high lithium storage, stable cycle life, high power capability, and minimal irreversible capacity (IRC) loss. To the best of our knowledge, it is an entirely new material with the combination of ordered mesostructures with P codoping in carbon nitride substructure which offers superior performance for LIB, and hence we believe that this work will create new momentum for the design and development of clean energy storage devices.]]> Mon 29 Jan 2024 17:48:09 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:54029 Mon 29 Jan 2024 13:34:38 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:51970 Mon 25 Sep 2023 10:03:17 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:44820 Mon 24 Oct 2022 09:38:27 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:50393 Mon 24 Jul 2023 14:54:09 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:47375 5 nanoparticles per cell. Despite their high concentrations, the nanoparticles were remarkably well tolerated by the cells, demonstrating their superb potential for in vivo cellular uptake. This study advances previous research on plasma-polymerized nanoparticles, introducing a low-waste synthesis method that achieves higher yields. This sustainable technology has important implications for the production of multifunctional nanoparticles for drug delivery, tumor targeting, and medical imaging.]]> Mon 19 Jun 2023 14:59:08 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:40747 Mon 18 Jul 2022 13:26:41 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:40746 Mon 18 Jul 2022 13:26:25 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:39138 2 removal from flue gas. The desulfurization experiment was analyzed using a fixed-bed reactor under 40-150 ℃ temperature range, using simulated flue gas. X-ray diffraction (XRD), Fourier-transform infrared spectroscopy, and scanning electron microscopy/energy-dispersive X-ray spectroscopy (SEM/EDS) were used to analyze both the chemical and physical characteristics of the sorbents. The analyzed results exposed that the complete elimination of SO₂ from flue gas was achieved when using the char/KOH sorbent with a mass ratio of char to KOH of 11:1. It was noted that temperature had a substantial influence on the desulfurization performance with sulfur capacity maximized at 100 ℃. Experimental results also revealed that a small amount of O₂ present in the solvent could improve the SO₂ removal efficiency of the sorbent. The analyzed XRD patterns showed that K₂SO₄ was the main desulfurization product, which was consistent with the SEM/EDS analysis. The experimental results were well-described with the Lagergren first-order adsorption kinetics model with the activation energy (E_a) of the SO₂ adsorption by KOH/char sorbent of 20.25 kJ/mol.]]> Mon 16 May 2022 14:59:36 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:47973 Mon 13 Feb 2023 16:12:53 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:51565 Mon 11 Sep 2023 14:22:38 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:54762 Mon 11 Mar 2024 15:00:44 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:40383 2MA), a thermoresponsive polymer with a lower critical solution temperature of ~28 ℃, and poly(2-(diethylamino)ethyl methacrylate) (PDEA), a weak polybase with an apparent pKa of ~7.5, have been statistically copolymerized using activators continuously regenerated via electron transfer atom transfer radical polymerization to form multi-stimulus-responsive polymer brushes. The stimulus-responsive behavior of these brushes has been investigated with ellipsometry and numerical self-consistent field (nSCF) theory. The pH- and thermoresponsive behaviors of a PDEA homopolymer brush were investigated experimentally in order to benchmark the nSCF theory calculations. nSCF theory was able to reproduce the responsive behavior of PDEA and PMEO₂MA homopolymer brushes. Three copolymer compositions (90:10, 70:30, and 50:50 mol % MEO₂MA:DEA) were investigated experimentally with pH ramps performed at low and high temperatures and temperature ramps performed at low and high pH. A broader range of compositions were investigated with nSCF theory and compared to the experimental results, with the nSCF calculations able to capture the general behavior of the homopolymer and copolymer brushes. The responsive behavior of each brush to a given stimulus (temperature or pH) was dependent on both the polymer composition and environment (temperature or pH). The influence of pH on the brush increased with higher DEA mol % with a copolymer brush response transitioning from temperature-dominant to pH-dominant. The temperature response of PMEO₂MA was completely masked at low and high pH values by the presence of at least 30 mol % polybase in the copolymer.]]> Mon 11 Jul 2022 11:00:49 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:47911 95% conversion in each block extension. The improvement in control is likely due to the reabsorption of the free radical at the propagating chain end by the excited catalyst, which would otherwise lead to a termination product. Simple modeling shows the dramatic effect that this has in the case of star polymerizations. Because PET-RAFT is also tolerant to oxygen, we were able to automate the synthesis of up to heptablock stars at short block lengths, providing a useful technique for screening the effect of polymer composition on the solution structure.]]> Mon 06 Feb 2023 15:44:56 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:40285 Fri 29 Jul 2022 15:08:02 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:39206 N-isopropylacrylamide) (PNIPAM) brushes is investigated as a function of confining stress and system temperature using neutron reflectometry (NR), numerical self-consistent field theory, and the reanalysis of colloid probe atomic force microscopy (AFM) data from the literature. For NR experiments, confinement is achieved using a custom-made sample environment, and the corresponding reflectometry data are analyzed using a novel “distribution model.” The NR and AFM experiments probe similar temperature–stress combinations and generally find qualitative agreement, with some variations highlighting path-dependent (isostress vs isothermal, respectively) behavior. All techniques indicate that confinement removes the critical transition point in the thermoresponse of PNIPAM and results in the brush assuming a block-like volume fraction profile with a uniform internal structure. The PNIPAM brushes recover from such treatment, regaining their thermoresponse upon resolvation. Understanding the structure of responsive polymer brushes under confinement is essential, as brush applications are often accompanied by a surface-normal force (i.e., lubrication) and brush properties are dependent on their structure.]]> Fri 27 May 2022 09:52:26 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:38868 Fri 25 Mar 2022 11:12:33 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:48659 3 (M = Ti – Cu) perovskites using accurate first-principles calculations. The electronic structure across this series of perovskites varies from a semiconductor/insulator to a ferromagnetic and ultimately metallic character, and this leads to a change in the intrinsic stability of the perovskite lattices of more than 700 kJ mol^–1. However, these intrinsic trends are disrupted significantly when explicit thermochemical corrections, relevant to high-temperature applications, are included in reduction free energies. The key factor in this respect is the temperature-dependent entropic contribution, which is distinct for each perovskite. We demonstrate that this is a reflection of the unique instabilities of each perovskite structure at high temperatures.]]> Fri 24 Mar 2023 16:12:09 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:48095 Fri 24 Feb 2023 15:23:53 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:41089 Fri 22 Jul 2022 17:18:26 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:41088 Fri 22 Jul 2022 17:11:19 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:41075 Fri 22 Jul 2022 17:04:25 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:40041 2. The influence of the concentrations of NO and O₂ on the oxidation of NO was investigated. Besides, the changes in the reaction rate with the particle size of the catalysts were investigated to determine the internal diffusion resistance. The surface area and microcrystalline structure of the catalysts were analyzed to investigate the impact of physical structure on SO₂ poisoning in the catalyst. It was observed that Co doping in Mn/TiO₂ had a favorable impact on reducing the effect of SO₂ poisoning during the NO oxidation reaction. On the basis of the kinetic study, it was concluded that the reaction followed the Langmuir−Hinshelwood (L-H) mechanism, where NO and O₂ were adsorbed on the catalyst, forming highly reactive NO⁺ and O⁻, which were then converted into NO₂. The Co doping into the TiO₂ crystal lattice increased the O₂ adsorption, thus accelerating the rate of NO oxidation reaction.]]> Fri 22 Jul 2022 13:14:04 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:38270 Fri 20 Aug 2021 12:58:53 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:53127 Fri 17 Nov 2023 11:38:24 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:39699 Fri 17 Jun 2022 16:35:09 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:43406 Fri 16 Sep 2022 10:54:33 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:51718 Fri 15 Sep 2023 17:54:41 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:51702 Fri 15 Sep 2023 13:41:02 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:44487 co-2-(diethylamino)ethyl methacrylate) [P(MEO₂MA-co-DEA)] 80:20 mol % copolymer brushes were synthesized on planar silica substrates via surface-initiated activators continuously regenerated via electron transfer atom transfer radical polymerization. Brush thickness was sensitive to changes in pH and temperature as monitored with ellipsometry. At low pH, the brush is charged and swollen, while at high pH, the brush is uncharged and more collapsed. Clear thermoresponsive behavior is also observed with the brush more swollen at low temperatures compared to high temperatures at both high and low pH. Neutron reflectometry was used to determine the polymer volume fraction profiles (VFPs) at various pH values and temperatures. A region of lower polymer content, or a depletion region, near the substrate is present in all of the experimental polymer VFPs, and it is more pronounced at low pH (high charge) and less so at high pH (low charge). Polymer VFPs calculated through numerical self-consistent field theory suggest that enrichment of DEA monomers near the substrate results in the experimentally observed non-monotonic VFPs. Adsorption of DEA monomers to the substrate prior to initiation of polymerization could give rise to DEA segment-enriched region proximal to the substrate.]]> Fri 14 Oct 2022 08:57:26 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:48904 Fri 14 Apr 2023 15:38:15 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:48886 Fri 14 Apr 2023 10:57:45 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:49376 Fri 12 May 2023 14:13:07 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:46950 2O₄@ZnCo₂O₄ (RNZC) ternary composite material is synthesized using a simple hydrothermal method. In this report, we demonstrate the effect of rGO concentration on the electrochemical behavior of the rGO/NiCo₂O₄@ZnCo₂O₄ composite materials. The specific capacity values of the ternary composite materials increase with rGO concentration up to 50 mg. Furthermore, on increasing the rGO concentration, the capacity value decreases. Among the prepared samples, the composite with 50 mg of rGO (RNZC3) exhibits a maximum specific capacity of 1197 C g^–1 at a current density of 1 A g^–1. We also demonstrate the design of a supercapacitor device with high specific energy density using RNZC3. The RNZC3//RNZC3 symmetric supercapacitor device exhibits a maximum energy density of 62 W h kg^–1. In the case of an asymmetric supercapacitor device, the applied potential range is extended beyond the water decomposition range. Enhancement of the potential window ensures to achieve a high energy density. The RNZC3//rGO asymmetric supercapacitor device reaches the highest energy density of 71 W h kg^–1 and the corresponding power density is 0.98 kW kg^–1.]]> Fri 09 Dec 2022 14:35:39 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:51494 Fri 08 Sep 2023 11:58:10 AEST ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:52954 Fri 03 Nov 2023 11:04:28 AEDT ]]> https://nova.newcastle.edu.au/vital/access/manager/Repository/uon:47868 Fri 03 Feb 2023 14:28:53 AEDT ]]>