Outputs (1634)

Gold(I)‐Catalyzed Nucleophilic Propargylation of Azinium Ions via Hydroxydihydroazine Intermediates (2025)
Journal Article
Smithson, J., O'Brien, L., Jones, K. D., Argent, S. P., Wheelhouse, K. M., Woodward, S., Ermanis, K., & Lam, H. W. (2025). Gold(I)‐Catalyzed Nucleophilic Propargylation of Azinium Ions via Hydroxydihydroazine Intermediates. Chemistry - A European Journal, 31(9), Article e202404153. https://doi.org/10.1002/chem.202404153

The nucleophilic propargylation of azinium ions with a propargylboronate proceeds efficiently under gold(I) catalysis. A range of N-alkylated pyridinium, quinolinium, and pyrazinium ions undergo propargylation with good yields and high regioselectivi... Read More about Gold(I)‐Catalyzed Nucleophilic Propargylation of Azinium Ions via Hydroxydihydroazine Intermediates.

Evolution of amorphous ruthenium nanoclusters into stepped truncated nano-pyramids on graphitic surfaces boosts hydrogen production from ammonia (2025)
Journal Article
Chen, Y., Young, B. J., Aliev, G. N., Kordatos, A., Popov, I., Ghaderzadeh, S., Liddy, T. J., Cull, W. J., Kohlrausch, E. C., Weilhard, A., Hutchings, G. J., Besley, E., Theis, W., Alves Fernandes, J., & Khlobystov, A. N. (2025). Evolution of amorphous ruthenium nanoclusters into stepped truncated nano-pyramids on graphitic surfaces boosts hydrogen production from ammonia. Chemical Science, 16(6), 2648-2660. https://doi.org/10.1039/d4sc06382a

Atomic-scale changes can significantly impact heterogeneous catalysis, yet their atomic mechanisms are challenging to establish using conventional analysis methods. By using identical location scanning transmission electron microscopy (IL-STEM), whic... Read More about Evolution of amorphous ruthenium nanoclusters into stepped truncated nano-pyramids on graphitic surfaces boosts hydrogen production from ammonia.

Data Checking of Asymmetric Catalysis Literature Using a Graph Neural Network Approach (2025)
Journal Article
Aguilar-Bejarano, E., Deorukhkar, V., & Woodward, S. (2025). Data Checking of Asymmetric Catalysis Literature Using a Graph Neural Network Approach. Molecules, 30(2), Article 355. https://doi.org/10.3390/molecules30020355

The range of chemical databases available has dramatically increased in recent years, but the reliability and quality of their data are often negatively affected by human-error fidelity. The size of chemical databases can make manual data curation/ch... Read More about Data Checking of Asymmetric Catalysis Literature Using a Graph Neural Network Approach.

Highly tunable magnetocrystalline anisotropy energy in Fe3+ -doped BaTiO3 (2024)
Journal Article
Barker, B. A., Pokhrel, N., Hossain, M. K., Inzani, K., Griffin, S. M., & Nowadnick, E. A. (2024). Highly tunable magnetocrystalline anisotropy energy in Fe3+ -doped BaTiO3. Physical Review B, 110(22), https://doi.org/10.1103/PhysRevB.110.224437

Magnetic dopants in ferroelectric oxide host materials provide a platform for electric field control of isolated spins, facilitated by tuning of the magnetocrystalline anisotropy energy (MCAE). We present first-principles calculations of the MCAE exp... Read More about Highly tunable magnetocrystalline anisotropy energy in Fe3+ -doped BaTiO3.

Classical Reaction Barriers in DFT: An Adiabatic-Connection Perspective (2024)
Journal Article
Wibowo-Teale, A. M., Huynh, B. C., Helgaker, T., & Tozer, D. J. (2025). Classical Reaction Barriers in DFT: An Adiabatic-Connection Perspective. Journal of Chemical Theory and Computation, 21(1), 124–137. https://doi.org/10.1021/acs.jctc.4c01038

Classical reaction barriers in density-functional theory are considered from the perspective of the density-fixed adiabatic connection. A ‘reaction adiabatic-connection integrand’, ℛ𝜆 is introduced, where λ is the electron–electron interaction streng... Read More about Classical Reaction Barriers in DFT: An Adiabatic-Connection Perspective.

Iterative One-Carbon Homologation of Unmodified Carboxylic Acids (2024)
Journal Article
Wheatley, E., Melnychenko, H., & Silvi, M. (2024). Iterative One-Carbon Homologation of Unmodified Carboxylic Acids. Journal of the American Chemical Society, 146(50), 34285-34291. https://doi.org/10.1021/jacs.4c13630

The one-carbon homologation of carboxylic acids is a valuable route to construct families of homologues, which play fundamental roles in chemistry and biology. However, known procedures are based on multistep sequences, use harsh conditions or are li... Read More about Iterative One-Carbon Homologation of Unmodified Carboxylic Acids.

Boron-induced transformation of ultrathin Au films into two-dimensional metallic nanostructures (2024)
Journal Article
Preobrajenski, A., Vinogradov, N., Duncan, D. A., Lee, T.-L., Tsitsvero, M., Taketsugu, T., & Lyalin, A. (2024). Boron-induced transformation of ultrathin Au films into two-dimensional metallic nanostructures. Nature Communications, 15(1), Article 10518. https://doi.org/10.1038/s41467-024-54464-y

The synthesis of large, freestanding, single-atom-thick two-dimensional (2D) metallic materials remains challenging due to the isotropic nature of metallic bonding. Here, we present a bottom-up approach for fabricating macroscopically large, nearly f... Read More about Boron-induced transformation of ultrathin Au films into two-dimensional metallic nanostructures.

Glycerol‐Based Copolyesters as Polymeric Nanocarriers for Drug Delivery (2024)
Journal Article
D'Anna, P., Jacob, P. L., Axioti, E., Alvey, K. E., Berfi, N. A., Pearce, J. E., Cavanagh, R. J., Chauhan, V. M., Taresco, V., & Conte, C. (2025). Glycerol‐Based Copolyesters as Polymeric Nanocarriers for Drug Delivery. Journal of Polymer Science, 63(3), 566-577. https://doi.org/10.1002/pol.20240762

Enzymatic polymerization of glycerol-based polyesters has emerged as a selective and sustainable strategy for the production of degradable, amphiphilic, PEG-free polymeric materials. In the present work, we exploited the ability to produce copolyeste... Read More about Glycerol‐Based Copolyesters as Polymeric Nanocarriers for Drug Delivery.

On-Surface Synthesis of Ni-Porphyrin-Doped Graphene Nanoribbons (2024)
Journal Article
Edmondson, M., Clarke, M., O’Shea, J. N., Chen, Q., Anderson, H. L., & Saywell, A. (2024). On-Surface Synthesis of Ni-Porphyrin-Doped Graphene Nanoribbons. ACS Nano, 18(49), 33390–33397. https://doi.org/10.1021/acsnano.4c09188

On-surface synthesis of functional molecular structures provides a route to the fabrication of materials tailored to exhibit bespoke catalytic, (opto)electronic, and magnetic properties. The fabrication of graphene nanoribbons via on-surface synthesi... Read More about On-Surface Synthesis of Ni-Porphyrin-Doped Graphene Nanoribbons.

Manipulating adsorbed hydrogen on lanthanum-modified CuOₓ: Industrial-current-density CO₂ electroreduction to C₂₊ products or CH₄ (2024)
Journal Article
Guo, Z., Zhu, H., Yan, Z., Lei, L., Wang, D., Xi, Z., Lian, Y., Yu, J., Fow, K. L., Do, H., Hirst, J. D., Wu, T., & Xu, M. (2025). Manipulating adsorbed hydrogen on lanthanum-modified CuOₓ: Industrial-current-density CO₂ electroreduction to C₂₊ products or CH₄. Applied Catalysis B: Environmental, 364, Article 124839. https://doi.org/10.1016/j.apcatb.2024.124839

The selective electrochemical CO2 reduction reaction (CO2RR) yields valuable C2+ and C1 products, yet the influence of adsorbed hydrogen (*H) on product distribution remains inadequately understood. This study explores this effect by developing bimet... Read More about Manipulating adsorbed hydrogen on lanthanum-modified CuOₓ: Industrial-current-density CO₂ electroreduction to C₂₊ products or CH₄.