All Outputs (1634)

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.

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.

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., Beton, P. H., Mellor, C. J., Pollard, A. J., Rance, G. A., & George, M. W. (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.

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).

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.

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
Nguyen, T. P. 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.

Diketopyrrolopyrroles Act as Redox Mediators in Lithium–Sulfur Batteries (2025)
Journal Article
Searle, J. S., Malagreca, F., Denison, B. M., Kibler, A. J., Walsh, D. A., Johnson, L. R., Amabilino, D. B., & Newton, G. N. (2025). Diketopyrrolopyrroles Act as Redox Mediators in Lithium–Sulfur Batteries. ACS Energy Letters, 10(6), 2839-2844. https://doi.org/10.1021/acsenergylett.5c01262

Lithium−sulfur (Li−S) batteries are among the most promising next-generation energy storage technologies, offering gravimetric energy densities greater than those of state-of-the-art lithium-ion batteries. However, widespread commercialization of the... Read More about Diketopyrrolopyrroles Act as Redox Mediators in Lithium–Sulfur Batteries.

The role of carbon catalyst coatings in the electrochemical water splitting reaction (2025)
Journal Article
Townsend, W. J. V., López-Alcalá, D., Bird, M. A., Jordan, J. W., Rance, G. A., Biskupek, J., Kaiser, U., Baldoví, J. J., Walsh, D. A., Johnson, L. R., Khlobystov, A. N., & Newton, G. N. (2025). The role of carbon catalyst coatings in the electrochemical water splitting reaction. Nature Communications, 16(1), Article 4460. https://doi.org/10.1038/s41467-025-59740-z

Designing inexpensive, sustainable, and high-performance oxygen-evolution reaction (OER) electrocatalysts is one of the largest obstacles hindering the development of new electrolyzers. Carbon-coated metal/metal oxide (nano)particles have been used i... Read More about The role of carbon catalyst coatings in the electrochemical water splitting reaction.

Experimental Demonstration of a Spectral Fingerprint for the Saddle and Inverted Conformations of Porphyrins on Copper (2025)
Journal Article
S. Frampton, E., Gray, A., Clarke, M., Edmondson, M., Bradford, J., A. Duncan, D., & Saywell, A. (2025). Experimental Demonstration of a Spectral Fingerprint for the Saddle and Inverted Conformations of Porphyrins on Copper. Journal of Physical Chemistry Letters, 16(20), 5012–5017. https://doi.org/10.1021/acs.jpclett.5c00498

Combined density functional theory (DFT) and X-ray standing wave (XSW) studies have previously provided evidence for the preferential adoption of an inverted conformation of 2H-TPP on Cu(111) in contrast to the saddle conformation usually favored by... Read More about Experimental Demonstration of a Spectral Fingerprint for the Saddle and Inverted Conformations of Porphyrins on Copper.

In Vivo Evaluation of Pam2Cys‐Modified Cancer‐Testis Antigens as Potential Self‐Adjuvanting Cancer Vaccines (2025)
Journal Article
Aljohani, S., Edmonds, A., Castelletto, V., Seitsonen, J., Hamley, I., Symonds, P., Brentville, V. A., Durrant, L. G., & Mitchell, N. (2025). In Vivo Evaluation of Pam2Cys‐Modified Cancer‐Testis Antigens as Potential Self‐Adjuvanting Cancer Vaccines. Journal of Peptide Science, 31(6), Article e70022. https://doi.org/10.1002/psc.70022

Peptide-based vaccines, formulated with an appropriate adjuvant, offer a versatile platform for targeted cancer immunotherapy. While adjuvants are usually coadministered for nucleic acid and protein vaccines, synthetic peptide antigens afford a more... Read More about In Vivo Evaluation of Pam2Cys‐Modified Cancer‐Testis Antigens as Potential Self‐Adjuvanting Cancer Vaccines.

Ultrafast ring-opening dynamics of 1,2-dithiane following ultraviolet absorption (2025)
Journal Article
Robertson, P. A., Merrick, J., Heathcote, D., Robinson, M. S., Butler, A., Biddick, Y., Nunes, J. F., Rankine, C., Liu, Z., Arrowsmith, S. F., Thompson, J. O., Murty, M. N., Chapman, R., Springate, E., Anderson, E. A., Kirrander, A., & Vallance, C. (2025). Ultrafast ring-opening dynamics of 1,2-dithiane following ultraviolet absorption. Chemical Physics Letters, 871, Article 142095. https://doi.org/10.1016/j.cplett.2025.142095

We report results from a recent laser pump–probe study into the ultrafast ring-opening dynamics of 1,2-dithiane. Following absorption of a 290 nm photon, the nuclear dynamics were probed as a function of pump–probe delay on the femtosecond timescale... Read More about Ultrafast ring-opening dynamics of 1,2-dithiane following ultraviolet absorption.

Imaging the photophysics of organic semiconductors using polarisation-resolved and near-field optical spectroscopies (2025)
Journal Article
Kerfoot, J., James, T., Taniguchi, T., Watanabe, K., Beton, P. H., Rance, G. A., & George, M. W. (2025). Imaging the photophysics of organic semiconductors using polarisation-resolved and near-field optical spectroscopies. Optics Communications, 588, Article 131945. https://doi.org/10.1016/j.optcom.2025.131945

Imaging techniques that enable the structure of organic semiconductors to be determined across length scales are essential for optimisation of their luminescence properties. In this study, we prepare well-ordered monolayer films of perylene-3,4,9,10-... Read More about Imaging the photophysics of organic semiconductors using polarisation-resolved and near-field optical spectroscopies.

A Modular and Scalable Route to Protected Cyclopropane Amino Acid Building Blocks (2025)
Journal Article
Swan, C. T., Edmonds, A. G., Argent, S. P., & Mitchell, N. J. (2025). A Modular and Scalable Route to Protected Cyclopropane Amino Acid Building Blocks. Organic Letters, 27(18), 4800-4805. https://doi.org/10.1021/acs.orglett.5c01341

An improved method for the synthesis of noncanonical cyclopropane amino acids from common laboratory reagents is described, avoiding the use of neurotoxic oxidants or precious metal catalysts. Intramolecular isocyanate trapping via a Hofmann rearrang... Read More about A Modular and Scalable Route to Protected Cyclopropane Amino Acid Building Blocks.

Influence of Magnetic Anisotropy on the Ground State of [CH3NH3]Fe(HCOO)3: Insights into the Improper Modulated Magnetic Structure (2025)
Journal Article
Cañadillas-Delgado, L., Mazzuca, L., Ling, S., Cliffe, M. J., & Fabelo, O. (2025). Influence of Magnetic Anisotropy on the Ground State of [CH3NH3]Fe(HCOO)3: Insights into the Improper Modulated Magnetic Structure. Inorganic Chemistry, 64(15), 7348–7363. https://doi.org/10.1021/acs.inorgchem.4c05404

T h e h y b r i d p e r o v s k i t e s [ C H 3 N H 3 ] -CoxNix−1(HCOO)3 with x = 0, 0.25, 0.5, 0.75, and 1.0 possess multiple phase transitions, including incommensurate structures. Notably, [CH3NH3]Ni(HCOO)3 features a proper magnetically incommens... Read More about Influence of Magnetic Anisotropy on the Ground State of [CH3NH3]Fe(HCOO)3: Insights into the Improper Modulated Magnetic Structure.

Photoelectron circular dichroism of aqueous-phase alanine (2025)
Journal Article
Stemer, D., Thürmer, S., Trinter, F., Hergenhahn, U., Pugini, M., Credidio, B., Malerz, S., Wilkinson, I., Nahon, L., Meijer, G., Powis, I., & Winter, B. (2025). Photoelectron circular dichroism of aqueous-phase alanine. Chemical Science, 16(20), 8637-8647. https://doi.org/10.1039/D5SC00167F

Amino acids and other small chiral molecules play key roles in biochemistry. However, in order to understand how these molecules behave in vivo, it is necessary to study them under aqueous-phase conditions. Photoelectron circular dichroism (PECD) has... Read More about Photoelectron circular dichroism of aqueous-phase alanine.

A nanoscale chemical oscillator: reversible formation of palladium nanoparticles in ionic liquid (2025)
Journal Article
Lodge, R. W., Cull, W. J., Weilhard, A., Argent, S. P., Alves Fernandes, J., & Khlobystov, A. N. (2025). A nanoscale chemical oscillator: reversible formation of palladium nanoparticles in ionic liquid. Nanoscale, 17(16), 10105-10116. https://doi.org/10.1039/D4NR04150J

From the theory of chaos-to-order transitions to the origins of life on Earth, oscillating chemical reactions play a fundamental role in nature. This study demonstrates how chemical oscillators can exist at the nanoscale, bridging the gap between mol... Read More about A nanoscale chemical oscillator: reversible formation of palladium nanoparticles in ionic liquid.