https://ogma.newcastle.edu.au/vital/access/ /manager/Index ${session.getAttribute("locale")} 5 https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:44078 6] and the protic ionic liquid ethanolammonium nitrate (ETAN) failed. Microwave irradiation in EAN facilitated rapid access to three focused libraries, based on the parent isocyanide: cyclohexyl isocyanide, benzyl isocyanide and ethyl isocyanoacetate. Analysis of the structure activity relationship data suggested the presence of a bulky moiety originating from the isocyanide (cyclohexyl and benzyl) enhanced cytotoxicity. Removal of the acetylenic H-atom from the ethanoic acid moiety was detrimental to cytotoxicity. The most active analogues produced, N-(2-cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl-N-(3,5-dimethoxyphenyl)propiolamide, returned average GI₅₀ values of ≤1 μM across the cancer cell lines evaluated. Combined, these data suggest that analogues of this nature are interesting potential anti-cancer development leads.]]> Wed 26 Oct 2022 10:31:27 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:47692 Wed 25 Jan 2023 08:43:05 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:29815 Wed 24 Nov 2021 15:50:53 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:34062 Wed 24 Jul 2019 12:58:07 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:47191 2 in the atmosphere needs to be curbed with suitable measures including the reduction of CO₂ emissions at stationary point sources such as power plants through carbon capture technologies and subsequent conversion of the captured CO₂ into non-polluting clean fuels/chemicals using photo and/or electrocatalytic pathways. Porous materials have attracted much attention for carbon capture and in the recent past; they have witnessed significant advancements in their design and implementation for CO₂ capture and conversion. In this context, the emerging trends in major porous adsorbents such as MOFs, zeolites, POPs, porous carbons, and mesoporous materials for CO2 capture and conversion are discussed. Their surface texture and chemistry, and the influence of various other features on their efficiency, selectivity, and recyclability for CO₂ capture and conversion are explained and compared thoroughly. The scientific and technical advances on the material structure versus CO₂ capture and conversion provide deep insights into designing effective porous materials. The review concludes with a summary, which compiles the key challenges in the field, current trends and critical challenges in the development of porous materials, and future research directions combined with possible solutions for realising the deployment of porous materials in CO₂ capture and conversion.]]> Wed 14 Dec 2022 16:09:47 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:51674 Wed 13 Sep 2023 13:23:44 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:13601 Wed 11 Apr 2018 16:41:20 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:10812 Wed 11 Apr 2018 15:38:48 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:23022 g) and viscosity as a function of polymer concentration allow the overlap concentrations, c* and c**, to be identified at 13 mg mL⁻¹ and 50 mg mL⁻¹, respectively, which are similar to values reported previously for conventional ionic liquids. Unlike water and conventional ionic liquids, [Li(G4)]TFSI cannot form hydrogen bonds with PEO. Thermal gravimetric analysis indicates that the solvation of PEO by [Li(G4)]TFSI is a consequence of PEO forming coordinate bonds with the lithium by displacing the anion, but without displacing the glyme molecule.]]> Wed 11 Apr 2018 15:11:45 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:24298 Wed 11 Apr 2018 12:59:15 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:19565 Wed 11 Apr 2018 10:55:18 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:27045 g) and viscosity as a function of polymer concentration allow the overlap concentrations, c* and c**, to be identified at 13 mg mL(^-1) and 50 mg mL(^-1), respectively, which are similar to values reported previously for conventional ionic liquids. Unlike water and conventional ionic liquids, [Li(G4)]TFSI cannot form hydrogen bonds with PEO. Thermal gravimetric analysis indicates that the solvation of PEO by [Li(G4)]TFSI is a consequence of PEO forming coordinate bonds with the lithium by displacing the anion, but without displacing the glyme molecule.]]> Wed 11 Apr 2018 10:55:18 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:22756 Wed 11 Apr 2018 09:39:12 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:35661 −1, p < 0.0001), LDL-C (−0.49 mmol L⁻¹, p < 0.0001) and CVD risk (−1.1 absolute %, p = 0.0005) compared to the PL-C group. Reductions from baseline in the PS-C group compared to that in the PL-C group were 7.6% and 10.6% for TC and LDL-C, respectively, and statistically significant (p < 0.0001). CVD-risk in the PS-C group reduced significantly (−12.7%) compared to that in the PL-C group (p = 0.0005). HDL-C and TG remained unchanged. The LDL-P number significantly decreased in the PS-C group by 124.33 nmol L⁻¹ compared to that in the PL-C group (p = 0.005) and both groups showed a significant decrease in LDL-P size (p < 0.01); however, the absolute nm change in LDL-P size did not differ between groups and the percent change in LDL-P size in the PS-C group was borderline significant (−0.89%, p = 0.05) compared to that in the PL-C group. Regular consumption of PS-enriched bread with or without curcumin lowers blood cholesterol; however, curcumin alone did not influence blood lipids. Bread may be a convenient means of delivering PS with greater compliance for reducing the blood cholesterol concentration.]]> Wed 10 Nov 2021 15:13:17 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:48151 Wed 08 Mar 2023 14:43:43 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:52380 12.5 g L−1 (soil/solution), considering higher sorption and limited desorption. Variable surface charges developed by different added ions (competing ions, counter ions, and co-existence of all ions) were not always correlated with Be sorption. However, effects of added ions in Be sorption (increased by counter ions and decreased by competing ions) primarily occurred at low pH, with no noticeable changes at pH > 6 due to the hydration and precipitation behaviour of Be at higher pH. Both laboratory data and modelling indicated the substantial effect of counter ions on increased sorption of Be. Relatively higher amounts of sorption under the co-existence of all added ions were suggested from synergistic actions. Sorption was favourable (KL > 0, and 0 < RL < 1) across all concentrations and temperatures at pH 5.5, and high retention (84–97%) occurred after four desorption cycles indicated specific sorption. The sorption process was exothermic (ΔH > −43 kJ mole−1), while desorption was endothermic (ΔH > +78.4 kJ mole−1). All sorption–desorption reactions were spontaneous (ΔG = −Ve), and executed without any structural deformation (ΔS = nearly zero) of soil particles. However, the effect of temperature on desorption was influenced by the concentrations of Be. Higher retention and different sorption–desorption parameters (Kd-desorption > Kd-sorption; Kf-desorption > Kf-sorption; ndesorption/nsorption < 1) indicate limited mobility of Be and the presence of desorption hysteresis in the studied soil under the experimental conditions.]]> Wed 07 Feb 2024 14:36:35 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:34847 Wed 04 Dec 2019 13:05:09 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:35182 Tue 25 Jun 2019 14:28:12 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:47661 Tue 24 Jan 2023 15:33:52 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:33377 in vitro and in vivo, and have shown, for the first time, the ability of galactose to maintain an attenuated inflammatory profile of astrocytes in culture, and to increase the survival of neurons after traumatic injury, as compared to control PCL nanofibres. This study highlights the importance of galactose in controlling the astrocytic response, and provides a promising biomaterial system to deliver the essential morphological and biological cues to achieve functional repair after traumatic brain injury.]]> Tue 23 Oct 2018 15:31:37 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:54386 Tue 20 Feb 2024 20:46:58 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:37108 Tue 18 Aug 2020 12:50:45 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:33790 Achlya bisexualis was inoculated and grown on a chip. Growth of individual hyphae into a micro-pillar revealed a maximum total force of 10 μN at the hyphal tip. The chips had no discernible effect on hyphal growth rates, but hyphae were slightly thinner in the channels on the chips compared to those on agar plates. When the hyphae contacted the pillars tip extension decreased while tip width increased. A. bisexualis hyphae were observed to reorient their growth direction if they were not able to bend and effectively grow over the pillars. Estimates of the pressure exerted on a pillar were 0.09 MPa, which given earlier measures of turgor of 0.65 MPa would indicate low compliance of the cell wall. The platform is adaptable to numerous cells and organisms that exhibit tip-growth. It provides a useful tool to begin to unravel the molecular mechanisms that underlie the generation of a protrusive force.]]> Tue 15 Jan 2019 12:57:58 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:49156 Tue 14 Nov 2023 11:41:55 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:37228 Tue 08 Sep 2020 11:20:17 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:34719 via stick-slip events. In contrast, friction at Au(111) for Li(G4) TFSI is significantly higher at positive potentials than at negative potentials, which is comparable to that at HOPG at the same potential. The similarity of boundary layer friction at negatively charged HOPG and Au(111) surfaces indicates that the boundary layer compositions are similar and rich in Li⁺ cations for both surfaces at negative potentials. However, at Au(111), the TFSI⁻ rich boundary layer is less lubricating than the Li⁺ rich boundary layer, which implies that anion reorientations rather than stick-slip events are the predominant energy dissipation pathways. This is confirmed by the boundary friction of Li(G4) NO₃ at Au(111), which shows similar friction to Li(G4) TFSI at negative potentials due to the same cation rich boundary layer composition, but even higher friction at positive potentials, due to higher energy dissipation in the NO₃⁻ rich boundary layer.]]> Tue 03 Sep 2019 18:26:08 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:39065 2 were screened as co-catalyst components for Fe₂O₃/attapulgite (ATP) catalyst, and three new catalysts (CuO-Fe₂O₃/ATP, CeO₂-Fe₂O₃/ATP and CuO-CeO₂-Fe₂O₃/ATP) were prepared for degradation of methylene blue (MB). The three catalysts' characteristics were determined by BET, XRD, FT-IR, SEM and XPS. MB degradation in different systems and at different pH values was also studied. Under the conditions of H₂O₂ concentration of 4.9 mmol L^-1, catalyst dosage of 5 g L^-1, pH of 5, reaction temperature of 60 ℃ and MB initial concentration of 100 mg L^-1, the as-synthesized catalysts showed much greater reaction rate and degradation efficiency of MB than Fe₂O₃/ATP catalyst. In addition, the reusability of the as-prepared composites was evaluated. The intermediate products of MB degradation were identified by LC-MS and the possible degradation process of MB was put forward.]]> Tue 03 May 2022 11:59:40 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:30424 Thu 28 Oct 2021 12:36:47 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:34304 Thu 28 Oct 2021 12:36:45 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:33941 Thu 24 Jan 2019 12:19:56 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:42118 Thu 18 Aug 2022 14:28:38 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:51059 Thu 17 Aug 2023 10:20:13 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:48440 Thu 16 Mar 2023 14:38:59 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:52445 4+/Ce³⁺ compositions. Using DFT calculations combined with Bader charge analysis, it is demonstrated that stoichiometric ceria registers a higher oxidase mimetic activity than oxygen-deficient ceria with a low Ce⁴⁺/Ce³⁺ ratio due to a higher charge transfer from a substrate, 3,3',5,5' tetramethylbenzidine (TMB), to the ceria surface. We also show that the fluoride ions can significantly increase the charge transfer from the TMB surface to ceria irrespective of the surface Ce⁴⁺/Ce³⁺ ratio. Using this knowledge, we first compare the fluoride sensing properties of nanoceria with high Ce⁴⁺ and mixed Ce⁴⁺/Ce³⁺ oxidation states and further demonstrate that the linear detection range of fluoride ions can be extended to 1-10 ppm for nanoceria with mixed oxidation states. Then, we also demonstrate an assay for fluoride assisted detection of glutathione, an antioxidant with elevated levels during cancer, using nanoceria with a high surface Ce⁴⁺/Ce³⁺ ratio. The addition of fluoride ions in this assay allows the detection of glutathione in the linear range of 2.5-50 ppm with a limit of detection (LOD) of 3.8 ppm. These studies not only underpin the role of the surface Ce⁴⁺/Ce³⁺ ratio in tuning the fluoride assisted boost in the oxidase mimetic activity of nanoceria but also its strategic application in designing better colourimetric assays.]]> Thu 12 Oct 2023 15:28:04 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:38169 2O/(Si + Al), and their detailed porous structures were confirmed by TEM, N2 adsorption-desorption and X-ray diffraction measurements. The as-prepared geopolymers were then used as templates to replicate porous carbons with various structures and porosities for CO₂ adsorption. To understand the correlation between the CO₂ adsorptivity and porous structures, we tuned the porosity of the geopolymer-templated carbons by modifying the structures of the geopolymers. The porous carbons obtained from the hexagonal-type porous geopolymers were found to be composed of the aggregates of carbon nanowires exhibiting large particles, while those obtained from the wormhole-like porous geopolymers were determined to be wormhole type as well, as evidenced by TEM and X-ray diffraction studies. According to the CO₂ adsorption isotherms of the porous carbons, the aggregates of carbon nanowires exhibited the highest CO₂ adsorptivity due to their highest microporosity and largest specific surface area.]]> Thu 05 Aug 2021 15:57:46 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:7141 Sat 24 Mar 2018 10:44:33 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:13706 Sat 24 Mar 2018 10:38:08 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:13606 Sat 24 Mar 2018 10:35:51 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:31224 Sat 24 Mar 2018 08:43:21 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:7791 Sat 24 Mar 2018 08:39:20 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:9676 Sat 24 Mar 2018 08:39:16 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:7076 Sat 24 Mar 2018 08:38:03 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:7046 Sat 24 Mar 2018 08:37:54 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:1291 Sat 24 Mar 2018 08:32:46 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:1678 Sat 24 Mar 2018 08:30:26 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:2420 Sat 24 Mar 2018 08:29:24 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:2443 Sat 24 Mar 2018 08:26:53 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:10811 Sat 24 Mar 2018 08:13:23 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:10816 Sat 24 Mar 2018 08:11:49 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:20711 n is found. Factors favouring cage or extended structures are briefly discussed.]]> Sat 24 Mar 2018 08:06:22 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:17355 Sat 24 Mar 2018 08:01:41 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:20742 Sat 24 Mar 2018 08:00:23 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:19624 Sat 24 Mar 2018 07:58:16 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:19846 Sat 24 Mar 2018 07:57:06 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:18035 Sat 24 Mar 2018 07:56:31 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:18010 Sat 24 Mar 2018 07:56:17 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:20974 Sat 24 Mar 2018 07:54:19 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:21238 N,N-dimethyl-4'-vinylbiphenyl-3-amine (M3), (4'-vinylbiphenyl-4-yl)methanol (M4), 4'-vinylbiphenyl-4-carboxylic acid (M5) and 4-hydroxy-5-methyl-4'-vinylbiphenyl-3-carboxylic acid (M6), were examined for their ability to imprint theophylline (1). Using a molecular modelling-NMR titration approach, M2 and M6 were predicted to give rise to the most specific molecularly imprinted polymers (MIPs). Rebinding analysis suggests that no imprinting effect resulted from the polymerisation of monomers M1 , M5 and M6, but modest to good levels of imprinting were evident from monomers M2, M3 and M4 with IF values ranging from 1.1 (MIP_M3, 20 mg) to 45 (MIP_M2, 10 mg). The selective recognition of 1 varied as a function of polymer mass used. At low polymer loadings MIP_M2 gave the very high IF of 45, reducing to IF = 4.1-2.3 at 20-40 mg polymer loading. With monomer M2, microwave synthesised MIP (MW-MIP_M2) was examined. The MW-MIP_M2 displayed lower specific rebinding than its conventionally produced counterpart (MIP_M2) with IF values ranging from 1.6-2.3 (cf., MIP_M2 IF 2.3-45), but significantly higher levels of rebinding with 25-52% of 1 rebound from a 0.080 mM CH₃CN solution of 1 (cf., MIP_M2 5-25%). MW-MIP_M2 displayed a lower BET surface area than MIP_M2 (185 m² g^-1vs. 240 m² g^-1), and lower surface (zeta) potential (-13.1 ± 8.22 mV vs. -31.4 ± 4.84 mV). Freundlich isotherm analysis revealed that MW-MIP_M2 possessed higher affinity binding sites for 1 than MIP_M2 with K_d values of 1.38 and 2.31 respectively. In addition, MW-MIP_M2 also exhibits a higher number of binding sites (N_⏉) compared to MW-NIP_M2 (0.72 and 0.41 mg g^-1, respectively). In specificity studies using caffeine (2), MIP_M2 displayed a two-fold preference for rebinding of 1 and MW-MIP_M2 a five-fold preference for 1 over 2 . The quantity of 2 bound in both cases was consistent with non-specific binding events. In competitive rebinding experiments, increased discrimination in favour of 1 over 2 was observed.]]> Sat 24 Mar 2018 07:53:03 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:20991 cat up to 7.3 × 10³ s⁻¹ (uncatalyzed: 3.7 × 10⁻² s⁻¹; enzyme-catalyzed: 2 × 105–1.4 × 106 s⁻¹) and a turnover number (TON) of at least 1700, limited only by the experimental conditions used. So far, no copper-based natural carbonic anhydrases are known, no faster model systems have been described and the biological role of the patellamide macrocycles is so far unknown. The observed CO₂ hydration rates depend on the configuration of the isopropyl side chains of the pseudo-octapeptide scaffold, and the naturally observed R*,S*,R*,S* geometry is shown to lead to more efficient catalysts than the S*,S*,S*,S* isomers. The catalytic efficiency also depends on the heterocyclic donor groups of the pseudo-octapeptides. Interestingly, the dicopper(II) complex of the ligand with four imidazole groups is a more efficient catalyst than that of the close analogue of ascidiacyclamide with two thiazole and two oxazoline rings. The experimental observations indicate that the nucleophilic attack of a Cu^II-coordinated hydroxide at the CO₂ carbon center is rate determining, i.e. formation of the catalyst-CO₂ adduct and release of carbonate/bicarbonate are relatively fast processes.]]> Sat 24 Mar 2018 07:50:41 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:21034 Sat 24 Mar 2018 07:50:32 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:5144 Sat 24 Mar 2018 07:49:43 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:5192 0.25 ML) only intact water is observed. Under UHV conditions these higher coverages can only be reached on the 4d metals, the 5d metals are, therefore, not passivated.]]> Sat 24 Mar 2018 07:47:44 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:5000 Sat 24 Mar 2018 07:44:09 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:28474 in silico docking studies. Docking studies predicted enhanced Pitstop® 2 family binding, not a loss of binding, within the Pistop® groove of the reported clathrin mutant invalidating recent assumptions of poor selectivity for this family of clathrin inhibitors.]]> Sat 24 Mar 2018 07:39:34 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:29604 Sat 24 Mar 2018 07:32:11 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:29959 Sat 24 Mar 2018 07:30:59 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:28271 −1 for S-nitrosothioacetamide and S-nitrosothiourea, respectively. The electron donating effect of methyl substitution in S-nitrosothioacetamide engenders lower activation energies with the bimolecular reaction of RSNO⁺ and RS occurring within the diffusion controlled regime at an activation energy of 17.6 kJ mol⁻¹. For S-nitrosothiourea, a further bimolecular reaction of two RSNO⁺ molecules occurs irreversibly with an activation energy of 84.4 kJ mol⁻¹.]]> Sat 24 Mar 2018 07:28:31 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:27760 Sat 24 Mar 2018 07:27:43 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:25891 Sat 24 Mar 2018 07:25:51 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:26323 NAr coupling with 1-fluoro-4-nitrobenzene. Microwave coupling of 4-morphilinoaniline 8 and 4-(piperazine-1-yl)aniline 9 with 2-(2,5-dichloropyrimidine-4-ylamino)-N-methylbenzamide 10, proved to be the most efficacious route to the target analogues 6 and 7. This hybrid methodology reduced the number of synthetic steps, gave enhanced overall yields and increased atom economy through step reduction and minimal requirement for chromatographic purification, relative to the original batch synthesis approach.]]> Sat 24 Mar 2018 07:24:11 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:26919 Sat 24 Mar 2018 07:23:34 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:26535 Sat 24 Mar 2018 07:23:27 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:3227 Sat 24 Mar 2018 07:22:15 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:3472 Sat 24 Mar 2018 07:20:29 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:22642 ab initio calculations. The generated samples, the dimensionality of which was determined by appropriate periodic boundary conditions imposed upon the generated supercells, were initially either perfectly ordered in the c-variant L1₀ superstructure ((001)-oriented monatomic planes), or completely disordered in the fcc crystalline structure. Vacancy-mediated creation of equilibrium atomic configurations was modelled by relaxing the systems at temperatures below the 'order-disorder' transition point using the Glauber algorithm implemented with the vacancy mechanism of atomic migration. The (100)-type-surface-induced heterogeneous nucleation of L1₀-order domains was observed and quantified by means of an original parameterization enabling selective determination of volume fractions of particular L1₀-variants. Due to the specific competition between the three kinds of (100)-type free surfaces, the initial c-L1₀ variant long-range order appeared to be the most stable in the cubic nanoparticle. The initially disordered samples were transformed by the creation of a specific L1₀ domain structure with a mosaic of particular L1₀-variant domains at the surfaces and almost homogeneous long-range order in the inner volume. The analysis of correlation effects revealed that chemical ordering was initiated at the free surfaces.]]> Sat 24 Mar 2018 07:17:03 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:24904 Sat 24 Mar 2018 07:14:52 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:22557 Sat 24 Mar 2018 07:14:46 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:24793 sc and V_oc. This formulation in combination with low temperature processing yields an energy conversion efficiency of over 5% in DSSC devices. In devices where high temperature sintering is permitted, the performance of TiO₂ electrodes converges towards an efficiency of over 6%, irrespective of the organic additive within the paste. This formulation offers a high degree of versatility in casting electrodes onto polymer, glass or metal foil substrates from a single source of TiO₂ paste, for the many variants of low-cost solar cells.]]> Sat 24 Mar 2018 07:14:05 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:23036 Sat 24 Mar 2018 07:13:49 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:23836 Sat 24 Mar 2018 07:12:10 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:24549 Sat 24 Mar 2018 07:11:33 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:23187 50 of 19.1 ± 0.3 and 18.5 ± 1.7 μM respectively). Compound 29 showed effective inhibition of clathrin-mediated endocytosis (IC_50(CME) 66 μM). The results introduce 29 as an optimised GTP-competitive lead Naphthaladyn™ compound for the further development of naphthalimide-based dynI GTPase inhibitors.]]> Sat 24 Mar 2018 07:10:29 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:52264 Sat 07 Oct 2023 12:46:52 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:48733 Mon 29 Jan 2024 18:04:30 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:48493 Mon 29 Jan 2024 18:00:46 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:32188 PMS. Increasing acidity and iron dosage favored a rapid degradation of AO7. The presence of chloride greatly inhibited dye removal in Fe⁰/H₂O₂ and Fe⁰/PS systems, whilst accelerated dye degradation was observed in the Fe⁰/PMS system. In contrast, mineralization of AO7 in the Fe⁰/PMS/Cl- system was minimal, because of formation of lots of refractory chlorinated phenols as identified by GC-MS. These findings are useful for selecting the most appropriate technology for textile wastewater treatment, depending on the wastewater constituents and pH.]]> Mon 23 Sep 2019 11:21:21 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:35470 3−δ perovskites are attractive candidates for high-temperature mixed ionic electronic conduction processes, due to their ability to produce mixed oxidation states and accommodate oxygen vacancies. Here, we examine the electronic structure and high-temperature thermochemistry of stoichiometric and non-stoichiometric cubic BaZrO_3−δ perovskites for high defect concentration (δ = 0-0.5) using first-principles density functional theory (DFT) and density functional perturbation theory (DFPT) calculations. Our results show that the electronic structures of these perovskites under increasing oxygen deficiency are characterized by highly localized reduction of Zr⁴⁺ t_2g orbitals in the vicinity of the oxygen defects, irrespective of the value of δ. Temperature dependent thermodynamic properties of pristine- and defective-BaZrO_3−δ show consistency with oxygen vacancy concentration. A comparison of predicted thermochemical properties with and without explicit vibrational corrections demonstrates their relative stability and implications at high-temperatures, as reduction Gibbs free energies in BaZrO_3−δ exhibit large deviations above 1000 K. We elucidate the physical origins of these deviations via a phonon mode analysis.]]> Mon 22 Jun 2020 13:28:55 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:34701 Mon 15 Apr 2019 09:12:07 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:51170 Mon 13 Nov 2023 08:46:57 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:31130 Mon 11 Mar 2019 12:07:37 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:40209 Mon 08 Aug 2022 13:40:19 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:45447 Fri 28 Oct 2022 14:08:10 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:31409 via the production of hydrogen (iso)cyanide, thus impeding the growth of extended carbon chains. Simultaneously, ammonia hydrogen passivates carbon dangling bonds, which impedes nanotube nucleation and promotes defect healing. Combined, these effects lead to slower, more controllable nucleation and growth kinetics.]]> Fri 28 Jun 2019 12:21:05 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:39202 3O₄catalysts obtained from three different cobalt precursors. The prepared hierarchical Co₃O₄ nanostructured catalysts were intensively analyzed for their textural properties and surface chemistry, such as shape, size, phase and surface area. The water oxidation performance of all three catalysts through the oxygen evolution reaction (OER) has been investigated. In alkaline 1 M KOH aqueous solution, the ultrathin hierarchical Co₃O₄–S nanosheet array catalyst exhibits significantly higher activity during water oxidation, with a low overpotential of 330 mV vs. RHE at a benchmarking current density of 10 mA cm⁻² for OER in comparison with Co₃O₄–Ac and Co₃O₄–N, which outperforms a commercial RuO2 electrocatalyst, and it remains stable for many hours. Benefiting from its unique ultrathin architecture, hierarchical and nanostructured Co₃O₄–S is endowed with a large number of active sites and a rapid charge transfer process, resulting in better water oxidation performance.]]> Fri 27 May 2022 09:38:33 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:38323 −1 compared with that by unmodified pristine biochar (10.90 mg g⁻¹) at pH 3.0. In the range of pH 2.0–5.0, the adsorption performance of Pb(II) by E-CMBC remained above 152.50 mg g⁻¹, which suggested that the adsorption capacity of the novel sorbent was not impacted by the competing adsorption of hydrogen cations under acidic conditions. The adsorption process could be well described by the Avrami fractional-order and Langmuir models. Thermodynamic analysis proved that the adsorption process was spontaneous and endothermic. The magnetic strength of E-CMBC was measured as 3.1 emu g⁻¹, suggesting that the consumed E-CMBC could be separated from water by an external magnet. A regeneration study showed that after three cycles of adsorption–desorption, 78.60% of the sorbent was recovered and 97.26% of the adsorption capacity was retained. The adsorption mechanism investigation indicated that Pb(II) adsorption was mainly due to the presence of functional amides and carboxyl groups of E-CMBC forming strong chemical complexation. In conclusion, E-CMBC is a novel, recyclable, and highly efficient adsorbent for removal of Pb(II) from aqueous solution.]]> Fri 27 Aug 2021 14:36:49 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:32193 Fri 20 Sep 2019 02:20:59 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:35923 Fri 17 Jan 2020 09:57:08 AEDT ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:37073 b:6,5-b′]dithiophene (TPA-NADT-TPA), 4,4′-(anthracene-2,6-diyl)bis(N,N-bis(4-methoxyphenyl)aniline) (TPA-ANR-TPA) and N²,N²,N⁶,N⁶-tetrakis(4-methoxyphenyl)anthracene-2,6-diamine (DPA-ANR-DPA), are designed and synthesized for use in organic light-emitting diodes (OLEDs) and perovskite solar cells (PSCs). In OLEDs, devices based on TPA-NADT-TPA, TPA-ANR-TPA and DPA-ANR-DPA showed pure blue, blue green, and green emission, respectively. Also, the maximum brightness of the devices with a turn-on voltage of 3.8 V reached 8682 cd m⁻² for TPA-NADT-TPA, 11 180 cd m⁻² for TPA-ANR-TPA, and 18 600 cd m⁻² for DPA-ANR-DPA. These new materials are also employed as hole transporting materials (HTMs) in inverted PSCs, where they were used without additives. The inverted devices based on these HTMs achieved an overall efficiency of 10.27% for TPA-NADT-TPA, 7.54% for TPA-ANR-TPA, and 6.05% for DPA-ANR-DPA under identical conditions (AM 1.5G and 100 mW cm⁻²). While the PSCs with TPA-NADT-TPA as the HTM achieved the highest efficiency, the DPA-ANR-DPA-based OLED devices showed the brightest emission and efficiency. Based on the obtained promising performance, it is clear that this molecular design presents a new research strategy to develop materials that can be used in multiple types of devices.]]> Fri 14 Aug 2020 13:34:14 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:51546 Fri 08 Sep 2023 14:58:30 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:39005 Fri 08 Apr 2022 10:52:28 AEST ]]>