Outputs (1634)

Enhancing Monte Carlo Tree Search for Retrosynthesis (2025)
Journal Article
Blackshaw, T. M., Davies, J. C., Spoerer, K. T., & Hirst, J. D. (in press). Enhancing Monte Carlo Tree Search for Retrosynthesis. Journal of Chemical Information and Modeling, https://doi.org/10.1021/acs.jcim.5c00417

Computer-Assisted Synthesis Programs are increasingly employed by organic chemists. Often, these tools combine neural networks for policy prediction with heuristic search algorithms. We propose two novel enhancements, which we call eUCT and dUCT, to... Read More about Enhancing Monte Carlo Tree Search for Retrosynthesis.

Atomic-Scale Imaging of Transformation of Nickel Nanocrystals to Nickel Carbides in Real Time (2025)
Journal Article
Yan, P., Zhang, D., Zhang, W., Sun, K., Jin, M., Chamberlain, T., Khlobystov, A. N., Kaiser, U., Hu, Y., & Cao, K. (2025). Atomic-Scale Imaging of Transformation of Nickel Nanocrystals to Nickel Carbides in Real Time. ACS Nano, https://doi.org/10.1021/acsnano.5c06292

Transition of metal-to-metal carbide plays a key role in heterogeneous catalysis. We confined nickel nanocrystals in single-walled carbon nanotubes, stimulated delivery of carbon atoms by the 80 keV electron beam, and imaged the entire carbonization... Read More about Atomic-Scale Imaging of Transformation of Nickel Nanocrystals to Nickel Carbides in Real Time.

Benchmarking TERS and TEPL probes: towards a reference sample for quantification of near-field enhancement factors in gap and non-gap modes (2025)
Journal Article
Kerfoot, J., Legge, E. J., Collins, A., Chauhan, J., Rossnagel, K., H. Beton, P., Mellor, C. J., Pollard, A. J., Rance, G. A., & W. George, M. (2025). Benchmarking TERS and TEPL probes: towards a reference sample for quantification of near-field enhancement factors in gap and non-gap modes. Analyst, https://doi.org/10.1039/D5AN00456J

Benchmarking the near-field signal enhancement attained using plasmonic metal-coated atomic force microscopy (AFM) probes for tip-enhanced Raman spectroscopy (TERS) and tip-enhanced photoluminescence (TEPL) measurements is challenging given the absen... Read More about Benchmarking TERS and TEPL probes: towards a reference sample for quantification of near-field enhancement factors in gap and non-gap modes.

Harnessing enzymes for greener polymerisations: advances in chain and step growth processes (2025)
Journal Article
Dixon, E. G., Ciano, L., Pordea, A., Alvey, K., & Taresco, V. (2025). Harnessing enzymes for greener polymerisations: advances in chain and step growth processes. Polymer Chemistry, https://doi.org/10.1039/d5py00223k

Synthetic organic polymers face increasing scrutiny due to their environmental impact, as most industrial monomers are petrol-based. Key concerns include fossil fuel consumption, greenhouse gas emissions, reliance on non-renewable feedstocks, insuffi... Read More about Harnessing enzymes for greener polymerisations: advances in chain and step growth processes.

Inter- and Intramolecular On-Surface Synthesis of Porphyrin-Based Nanostructures on Au(111) and Cu(111) (2025)
Journal Article
Frampton, E. S., Clarke, M., Edmondson, M., Gray, A., Bradford, J., Warwick, L., Pearce, N., Champness, N. R., & Saywell, A. (2025). Inter- and Intramolecular On-Surface Synthesis of Porphyrin-Based Nanostructures on Au(111) and Cu(111). ACS Applied Nano Materials, 8(24), 12608-12618. https://doi.org/10.1021/acsanm.5c01525

Surface-confined synthesis provides alternative reaction pathways to those utilized within solution-phase chemistry and offers a route to extended molecular architectures with nanoscale dimensions and fascinating magnetic, electronic, and catalytic p... Read More about Inter- and Intramolecular On-Surface Synthesis of Porphyrin-Based Nanostructures on Au(111) and Cu(111).

Wisteria floribunda agglutinin enhances Zaire ebolavirus entry through interactions at specific N-linked glycosylation sites on the virus glycoprotein complex (2025)
Journal Article
Duncan, J., Pathak, M., King, B., Bamber, H., Radford, P., Dey, J., Richardson, C., Astbury, S., McClure, P., Ball, J. K., Urbanowicz, R. A., & Tarr, A. (2025). Wisteria floribunda agglutinin enhances Zaire ebolavirus entry through interactions at specific N-linked glycosylation sites on the virus glycoprotein complex. Journal of General Virology, 106(6), Article 002120. https://doi.org/10.1099/jgv.0.002120

Entry of Zaire ebolavirus (EBOV) into a host cell is a complex process requiring interactions between the viral glycoproteins (GPs) and cellular factors. These entry factors are cell-specific and can include cell surface lectins and phosphatidylserin... Read More about Wisteria floribunda agglutinin enhances Zaire ebolavirus entry through interactions at specific N-linked glycosylation sites on the virus glycoprotein complex.

AI4Green4Students: Promoting Sustainable Chemistry in Undergraduate Laboratories with an Electronic Lab Notebook (2025)
Journal Article
Nwafor, P. C., Gurung, S., van Krimpen, P., Schnaubert, L., Jolley, K., Pearman-Kanza, S., Willoughby, C., & Hirst, J. D. (2025). AI4Green4Students: Promoting Sustainable Chemistry in Undergraduate Laboratories with an Electronic Lab Notebook. Journal of Chemical Education, https://doi.org/10.1021/acs.jchemed.4c01393

AI4Green is an open-source, machine-learning-powered electronic laboratory notebook (ELN) developed to help chemists mitigate environmental impacts, particularly within the pharmaceutical sector. This study presents AI4Green4Students, a pedagogically... Read More about AI4Green4Students: Promoting Sustainable Chemistry in Undergraduate Laboratories with an Electronic Lab Notebook.

Poly(ε-l-lysine)-decorated particles with a tunable morphology by a combination of Ugi multicomponent polymerisation and RAFT-mediated PISA (2025)
Journal Article
Phuong Thu Nguyen, T., Lei, L., Dixon, E. G., Le Coeur, C., Taresco, V., Debuigne, A., & Couturaud, B. (2025). Poly(ε-l-lysine)-decorated particles with a tunable morphology by a combination of Ugi multicomponent polymerisation and RAFT-mediated PISA. Polymer Chemistry, https://doi.org/10.1039/D5PY00384A

We report herein the unprecedented combination of the Ugi multicomponent reaction (Ugi MCR) and Polymerisation-Induced Self-Assembly (PISA) to fabricate poly(ε-L-lysine) (PεLL) decorated amphiphilic nanoparticles. First, using the one-pot Ugi MCR of... Read More about Poly(ε-l-lysine)-decorated particles with a tunable morphology by a combination of Ugi multicomponent polymerisation and RAFT-mediated PISA.

Asymmetric thiol-modified hybrid polyoxometalates: building blocks for hierarchical nanostructured redox materials (2025)
Journal Article
Newton, G. N., Hampson, E., Kibler, A. J., Cameron, J. M., Watts, J. A., Bellamy-Carter, A., Saywell, A., Johnson, L. R., & Walsh, D. A. (2025). Asymmetric thiol-modified hybrid polyoxometalates: building blocks for hierarchical nanostructured redox materials. Nanoscale, https://doi.org/10.1039/d5nr00544b

The development of hierarchical, redox-active nanostructures can drive new advances in fields ranging from energy storage to sensors and memristors. The self assembly of redox-active molecular building blocks into redox-active structures is especiall... Read More about Asymmetric thiol-modified hybrid polyoxometalates: building blocks for hierarchical nanostructured redox materials.

Flexible Selenium Nanowires with Tuneable Electronic Bandgaps (2025)
Journal Article
Cull, W. J., Ramasse, Q. M., Biskupek, J., Rance, G. A., Cardillo‐Zallo, I., Weare, B. L., Fay, M. W., Roy Whitney, R., Scammell, L. R., Alves Fernandes, J., Kaiser, U., Patanè, A., & Khlobystov, A. N. (2025). Flexible Selenium Nanowires with Tuneable Electronic Bandgaps. Advanced Materials, Article 2501821. https://doi.org/10.1002/adma.202501821

Manipulating semiconductor properties without altering their chemical composition holds promise for electronic and optical materials. However, linking atomic positions in nanomaterials to their functional properties is challenging due to their polydi... Read More about Flexible Selenium Nanowires with Tuneable Electronic Bandgaps.