A facile one step route that introduces functionality to polymer powders for laser sintering

Krumins, Eduards; Crawford, Liam A.; Rogers, David M.; Machado, Fabricio; Taresco, Vincenzo; East, Mark; Irving, Samuel H.; Fowler, Harriet R.; Jiang, Long; Starr, Nichola; Parmenter, Christopher D.J.; Kortsen, Kristoffer; Cuzzucoli Crucitti, Valentina; Avery, Simon V.; Tuck, Christopher J.; Howdle, Steven M.

doi:10.1038/s41467-024-47376-4

All Outputs (4)

Quantum Chemical Characterization of Rotamerism in Thio-Michael Additions for Targeted Covalent Inhibitors (2024)
Journal Article
Chaudhuri, S., M. Rogers, D., J. Hayes, C., Inzani, K., & D. Hirst, J. (2024). Quantum Chemical Characterization of Rotamerism in Thio-Michael Additions for Targeted Covalent Inhibitors. Journal of Chemical Information and Modeling, 64(19), 7687-7697. https://doi.org/10.1021/acs.jcim.4c01379

Myotonic dystrophy type I (DM1) is the most common form of adult muscular dystrophy and is a severe condition with no treatment currently available. Recently, small-molecule ligands have been developed as targeted covalent inhibitors that have some s... Read More about Quantum Chemical Characterization of Rotamerism in Thio-Michael Additions for Targeted Covalent Inhibitors.

An Improved Diabatization Scheme for Computing the Electronic Circular Dichroism of Proteins (2024)
Journal Article
Rogers, D. M., Do, H., & Hirst, J. D. (2024). An Improved Diabatization Scheme for Computing the Electronic Circular Dichroism of Proteins. Journal of Physical Chemistry B, 128(30), 7350-7361. https://doi.org/10.1021/acs.jpcb.4c02582

We advance the quality of first-principles calculations of protein electronic circular dichroism (CD) through an amelioration of a key deficiency of a previous procedure that involved diabatization of electronic states on the amide chromophore (to ob... Read More about An Improved Diabatization Scheme for Computing the Electronic Circular Dichroism of Proteins.

Modeling interactions between rubidium atom and magnetometer cell wall molecules (2024)
Journal Article
David, G., Wibowo-Teale, A. M., & Rogers, D. M. (2024). Modeling interactions between rubidium atom and magnetometer cell wall molecules. Journal of Chemical Physics, 161(1), Article 014301. https://doi.org/10.1063/5.0201903

Magnetometer cell wall coat molecules play an important role in preserving the lifetime of pumped alkali metal atoms for use in magnetometers that are capable of measuring very small magnetic fields. The goal of this study is to help rationalize the... Read More about Modeling interactions between rubidium atom and magnetometer cell wall molecules.

A facile one step route that introduces functionality to polymer powders for laser sintering (2024)
Journal Article
Krumins, E., Crawford, L. A., Rogers, D. M., Machado, F., Taresco, V., East, M., …Howdle, S. M. (2024). A facile one step route that introduces functionality to polymer powders for laser sintering. Nature Communications, 15(1), Article 3137. https://doi.org/10.1038/s41467-024-47376-4

Laser Sintering (LS) is a type of Additive Manufacturing (AM) exploiting laser processing of polymeric particles to produce 3D objects. Because of its ease of processability and thermo-physical properties, polyamide-12 (PA-12) represents ~95% of the... Read More about A facile one step route that introduces functionality to polymer powders for laser sintering.