On decomposing the effective thermal conductivity tensor into various molecular-scale contributions, it was identified that the thermal conductivity enhancement is due to the increased amount of heat transfer inside the graphene filler, particularly along the longer in-plane axis. The present result indicates a possibility of designing the heat conduction characteristics of a nanocomposite by customizing the filler shapes so as to control the aggregation structure of the fillers.Reaction of the [2 + 2] Schiff-base macrocycles [2-(OH)-5-(R)-C6H2-1,3-(CH)2][CH2CH2(2-C6H4N)2]2 (R = Me, L1H2; tBu, L2H2) with FeBr2 afforded the complexes [FeBr(L1H2)]2[(FeBr3)2O]·2MeCN (1·2MeCN), [FeBr(L2H2)][X] (X = 0.5(FeBr3)2O, 2·0.5MeCN, X = Br, 3·5.5MeCN), respectively. Reaction of L2H2 with [KFe(OtBu)3(THF)] (formed in situ from FeBr2 and KOtBu), following work-up, led to the isolation of the complex [Fe(L2)(L2H)]·3MeCN (4·3MeCN), whilst with [CuBr2] afforded [CuBr(L2H2)][CuBr2]·2MeCN (5·2MeCN). Attempts to form mixed Co/Ti species by reaction of [CoBrL2][CoBr3(NCMe)] with TiCl4 resulted in [L2H4][CoBr4]·2MeCN (6·2MeCN). Use of the related oxy-bridged Schiff-base macrocycles [2-(OH)-5-(R)-C6H2-1,3-(CH)2][O(2-C6H4N)2]2 (R = Me, L3H2; tBu, L4H2) with CoBr2 led to the isolation of the complexes [(CoBr)2(L3)]·2C3H6O (7·2C3H6O), [Co(NCMe)2(L4H2)][CoBr4]·5MeCN (8·5MeCN), [Co(NCMe)6][CoBr3(MeCN)]2·2MeCN (9·2MeCN). For comparative structural/polymerisation studies, the complexes CoBr(NCMe)L52·2MeCN (10·2MeCN) and [Co(NCMe)2L5]2[CoBr3(NCMe)]2 (11), [FeBr(NCMe)L5]2·2MeCN (12·2MeCN) where L5H = 2,6-(CHO)2-4-tBu-C6H2OH, as well as the chelate-free salt [Fe(NCMe)6][FeBr3OFeBr3] (13) have been isolated and structurally characterized. The ability of these complexes to act as catalysts for the ring opening polymerisation (ROP) of ε-caprolactone (ε-CL) and δ-valerolactone (δ-VL) was investigated, as well as co-polymerisation of ε-CL with rac-lactide (r-LA) and vice versa.In this paper, we investigate the consequences of ion association, coupled with the considerations of finite size effects and orientational ordering of Bjerrum pairs as well as ions and water molecules, on the electric double layer near charged surfaces. Based on the lattice statistical mechanics accounting for finite sizes and dipole moments of ions, Bjerrum pairs and solvent molecules, we consider the formation of Bjerrum pairs and derive the mathematical expressions for Bjerrum pair number density as well as cation/anion number density and water molecule number density. We reveal several significant phenomena. Firstly, it is shown that our approach naturally yields the equilibrium constant for dissociation-association equilibrium between Bjerrum pairs and ions. Secondly, at low surface charge densities, an increase in the bulk concentration of Bjerrum pairs enhances the permittivity and decreases the differential capacitance. Next, for the cases where Bjerrum pairs in an alcohol electrolyte solution have a high value of dipole moment, the Bjerrum pair number density increases with decreasing distance from the charged surface, and the differential capacitance and permittivity are high compared to those for the cases with lower values of Bjerrum-pair dipole moments. Finally, we show that the difference in the concentration and dipole moment of Bjerrum pairs can lead to some variation in osmotic pressure between two similarly charged surfaces.Developing ranking anode materials with sufficient electrical conductivity, ultrafast ion diffusion ability and considerable storage capacity is of great importance for rechargeable ion batteries but still challenging. Herein, using first-principles calculations, the potential of monolayer Nb2N as an anode material for alkali metal (e.g., Li, Na, K and Ca) ion batteries (LIBs, SIBs, PIBs and CIBs) has been explored. The calculated results indicate that the Nb2N monolayer is dynamically and thermally stable with excellent electronic conductivity. To be specific, the Li, Na, K and Ca atoms can be steadily adsorbed on the Nb2N monolayer with a low adsorption energy of -0.996, -1.263, -1.568, and -1.401 eV, respectively. Impressively, the calculated low diffusion barriers for Li, Na, K and Ca on the Nb2N monolayer are 0.047, 0.029, 0.015 and 0.051 eV, respectively, implying its high performance for the ultrafast charge and discharge processes. More importantly, the maximum storage capacities are 536 mA h g-1 for LIBs and 1072 mA h g-1 for CIBs, which are much larger than those of common anode materials. This work not only demonstrates that the Nb2N monolayer can be used as a promising anode material but also inspires the future rational design of other nitride MXenes in energy conversion and storage devices.Natural products can be used as natural radiosensitizers and radioprotectors, showing promising effects in cancer treatments in combination with radiotherapy, while reducing ionizing radiation (IR) damage to normal cells/tissues. The different effects of natural products on irradiated normal and tumor cells/tissues have attracted more and more researchers' interest. https://www.selleckchem.com/products/act001-dmamcl.html Nonetheless, the clinical applications of natural products in radiotherapy are few, which may be related to their low bioavailability in the human body. Here, we displayed the radiation protection and radiation sensitization of major natural products, highlighted the related molecular mechanisms of these bioactive substances combined with radiotherapy to treat cancer, and critically reviewed their deficiency and improved measures. Lastly, several clinical trials were presented to verify the clinical application of natural products as radiosensitizers and radioprotectors. Further clinical evaluation is still needed. This review provides a reference for the utilization of natural products as radiosensitizers and radioprotectors.The photochemical conversion of organic compounds on tailored transition metal oxide surfaces by UV irradiation has found wide applications ranging from the production of chemicals to the degradation of organic pollutants e.g. in waste water treatment. Here, we present a systematic surface science-based study of the UV photoconversion of methanol on a rutile TiO2(110) surface. Under the used conditions, the dominant photoreaction is the photo-oxidation forming formaldehyde, that is drastically boosted by the presence of adsorbed oxygen as well as (sub-)surface defects such as oxygen vacancies and Ti3+ interstitials. Moreover, a photostimulated and Ti3+ mediated C-C coupling was observed leading to the production of ethene. We have further deposited tungsten oxide clusters on the rutile surface and examined the impact on the methanol photochemistry. In this case, the C-C coupling can be suppressed. Surprisingly, especially for high Ti3+ contents the population of the photochemical pathway is quenched in favor of the population of the thermal reaction yielding more methane from the deoxygenation reaction.