Outputs (711)

Revealing solvent-dependent folding behaviour of mycolic acids from Mycobacterium tuberculosis by advanced simulation analysis (2019)
Journal Article
Groenewald, W., Parra-Cruz, R. A., Jäger, C. M., & Croft, A. K. (2019). Revealing solvent-dependent folding behaviour of mycolic acids from Mycobacterium tuberculosis by advanced simulation analysis. Journal of Molecular Modeling, 25(3), Article 68. https://doi.org/10.1007/s00894-019-3943-5

Mycobacterium tuberculosis remains a persistent pathogen, partly due to its lipid rich cell wall, of which mycolic acids (MAs) are a major component. The fluidity and conformational flexibilities of different MAs in the bacterial cell wall significan... Read More about Revealing solvent-dependent folding behaviour of mycolic acids from Mycobacterium tuberculosis by advanced simulation analysis.

A Brønsted ligand molecular switch with five accessible states (2019)
Journal Article
Shiga, T., Saiki, R., Akiyama, L., Kumai, R., Natke, D., Renz, F., …Oshio, H. (2019). A Brønsted ligand molecular switch with five accessible states. Angewandte Chemie International Edition, 58(17), 5658-5662. https://doi.org/10.1002/anie.201900909

A mononuclear Fe(II) complex, prepared with a Brønsted diacid ligand, H2L (H2L = 2-[5-phenyl-1H-pyrazole-3-yl] 6benzimidazole pyridine), shows switchable physical properties and was isolated in five different electronic states. The spin crossover (SC... Read More about A Brønsted ligand molecular switch with five accessible states.

Small punch creep testing of thermally sprayed Stellite 6 coating: A comparative study of as-received vs post-heat treatment (2019)
Journal Article
Jackson, G., Bai, M., Pala, Z., Hussain, T., & Sun, W. (2019). Small punch creep testing of thermally sprayed Stellite 6 coating: A comparative study of as-received vs post-heat treatment. Materials Science and Engineering: A, 749, 137-147. https://doi.org/10.1016/j.msea.2019.02.030

Thermally sprayed Stellite 6 coatings offer high wear and corrosion-erosion resistance at high temperature but the creep behaviour of such coatings is not well understood. In this paper, the microstructure and creep behaviour of a HVOF Stellite 6 coa... Read More about Small punch creep testing of thermally sprayed Stellite 6 coating: A comparative study of as-received vs post-heat treatment.

Remotely controlled in situ growth of silver microwires forming bioelectronic interfaces (2019)
Journal Article
Sanjuan-Alberte, P., Saleh, E., Shaw, A. J., Lacalendola, N., Willmott, G., Vaithilingam, J., …Rawson, F. J. (2019). Remotely controlled in situ growth of silver microwires forming bioelectronic interfaces. ACS Applied Materials and Interfaces, 11(9), 8928-8936. https://doi.org/10.1021/acsami.8b22075

There is a pressing need to advance our ability to construct three-dimensional (3D) functional bioelectronic interfaces. Additionally, to ease the transition to building cellular electronic systems, a remote approach to merge electrical components wi... Read More about Remotely controlled in situ growth of silver microwires forming bioelectronic interfaces.

A novel approach to CO2 capture in Fluid Catalytic Cracking-Chemical Looping Combustion (2019)
Journal Article
Güleç, F., Meredith, W., Sun, C.-G., & Snape, C. E. (2019). A novel approach to CO2 capture in Fluid Catalytic Cracking-Chemical Looping Combustion. Fuel, 244, 140-150. https://doi.org/10.1016/j.fuel.2019.01.168

Oil refineries collectively account for about 4–6% of global CO2 emissions and Fluid Catalytic Cracking (FCC) units are responsible for roughly 25% of these. Although post-combustion and oxy-combustion have been suggested to capture CO2 released from... Read More about A novel approach to CO2 capture in Fluid Catalytic Cracking-Chemical Looping Combustion.

Influence of crosslinker amount on the microstructure and properties of starch-based superabsorbent polymers by one-step preparation at high starch concentration (2019)
Journal Article
Qiao, D., Tu, W., Wang, Z., Yu, L., Zhang, B., Bao, X., …Lin, Q. (2019). Influence of crosslinker amount on the microstructure and properties of starch-based superabsorbent polymers by one-step preparation at high starch concentration. International Journal of Biological Macromolecules, 129, 679-685. https://doi.org/10.1016/j.ijbiomac.2019.02.019

This work concerns how crosslinker amount (N, N′-methylene-bisacrylamide) affects the microstructural, absorbent and rheological features of one-step prepared starch-based superabsorbent polymers at a high starch concentration (0.27:1 w/w starch-wate... Read More about Influence of crosslinker amount on the microstructure and properties of starch-based superabsorbent polymers by one-step preparation at high starch concentration.

A pseudospectral method for solution of the radiative transport equation (2019)
Journal Article
Powell, S., Cox, B. T., & Arridge, S. R. (2019). A pseudospectral method for solution of the radiative transport equation. Journal of Computational Physics, 384, 376-382. https://doi.org/10.1016/j.jcp.2019.01.024

The radiative transport equation accurately describes light transport in participating media, though analytic solutions are known only for simple geometries. We present a pseudospectral technique to efficiently compute numerical solutions to large-sc... Read More about A pseudospectral method for solution of the radiative transport equation.

Debris development in fretting contacts: debris particles and debris beds (2019)
Journal Article
Kirk, A., Shipway, P., Sun, W., & Bennett, C. (2019). Debris development in fretting contacts: debris particles and debris beds. Tribology International, https://doi.org/10.1016/j.triboint.2019.01.051

In this study, the formation and destruction of compacted beds of oxidized debris particles are investigated. Fretting tests of steel specimens were conducted, employing a cylinder-on-flat geometry with displacement amplitude being varied. The debris... Read More about Debris development in fretting contacts: debris particles and debris beds.

Experimental characterisation and computational modelling of cyclic viscoplastic behaviour of turbine steel (2019)
Journal Article
Rae, Y., Benaarbia, A., Hughes, J., & Sun, W. (2019). Experimental characterisation and computational modelling of cyclic viscoplastic behaviour of turbine steel. International Journal of Fatigue, 124, 581-594. https://doi.org/10.1016/j.ijfatigue.2019.01.022

Fully reversed strain controlled low cycle fatigue and creep-fatigue interaction tests have been performed at ±0.7% strain amplitude and at three different temperatures (400°C, 500°C and 600°C) to investigate the cyclic behaviour of a FV566 martensit... Read More about Experimental characterisation and computational modelling of cyclic viscoplastic behaviour of turbine steel.

Experimental characterisation and computational modelling of cyclic viscoplastic behaviour of turbine steel (2019)
Journal Article
Hughes, J., Rae, Y., Benaarbia, A., Hughes, J., & Sun, W. (2019). Experimental characterisation and computational modelling of cyclic viscoplastic behaviour of turbine steel. International Journal of Fatigue, 124, 581-594. https://doi.org/10.1016/j.ijfatigue.2019.01.022

Fully reversed strain controlled low cycle fatigue and creep-fatigue interaction tests have been performed at ±0.7% strain amplitude and at three different temperatures (400 °C, 500 °C and 600 °C) to investigate the cyclic behaviour of a FV566 marten... Read More about Experimental characterisation and computational modelling of cyclic viscoplastic behaviour of turbine steel.