All Outputs (108)

A simple, sustainable route to flexible microporous carbon cloth for energy storage applications (2023)
Journal Article

Activated carbon cloth (ACC) has the potential to be extremely useful in gas capture and storage applications as it combines high porosity, robustness, and flexibility with ease of handling. While it has been produced by a few researchers, the synthe... Read More about A simple, sustainable route to flexible microporous carbon cloth for energy storage applications.

ML meets MLn: machine learning in ligand promoted homogeneous catalysis (2023)
Journal Article

The benefits of using machine learning approaches in the design, optimisation and understanding of homogeneous catalytic processes are being increasingly realised. We focus on the understanding and implementation of key concepts, which serve as condu... Read More about ML meets MLn: machine learning in ligand promoted homogeneous catalysis.

Oxetane Synthesis via Alcohol C–H Functionalization (2023)
Journal Article

Oxetanes are strained heterocycles with unique properties that have triggered significant advances in medicinal chemistry. However, their synthesis still presents significant challenges that limit the use of this class of compounds in practical appli... Read More about Oxetane Synthesis via Alcohol C–H Functionalization.

Chemoselective Late-Stage Functionalization of Peptides via Photocatalytic C2-Alkylation of Tryptophan (2023)
Journal Article

Across eukaryotic proteomes, tryptophan is the least abundant of the 20 canonical amino acids, which makes it an ideal chemical handle for the late-stage functionalization of peptide and protein scaffolds with minimal production of undesired isoforms... Read More about Chemoselective Late-Stage Functionalization of Peptides via Photocatalytic C2-Alkylation of Tryptophan.

A lithium-air battery and gas handling system demonstrator (2023)
Journal Article

The lithium-air (Li-air) battery offers one of the highest practical specific energy densities of any battery system at >400 W h kgsystem−1. The practical cell is expected to operate in air, which is flowed into the positive porous electrode where it... Read More about A lithium-air battery and gas handling system demonstrator.

Synthesis of Multifunctional Polymersomes Prepared by Polymerization-Induced Self-Assembly (2023)
Journal Article

Polymersomes are an exciting modality for drug delivery due to their structural similarity to biological cells and their ability to encapsulate both hydrophilic and hydrophobic drugs. In this regard, the current work aimed to develop multifunctional... Read More about Synthesis of Multifunctional Polymersomes Prepared by Polymerization-Induced Self-Assembly.

Synthesis of Highly Functionalized Bismacycles via Post-Transmetallation Modification of Arylboronic Acids (2023)
Journal Article

Bismacycles featuring a sulfone-bridged scaffold have recently been developed as versatile and convenient electrophilic arylating agents. Here, we report that the exocyclic aryl group, which is ultimately transferred to a nucleophilic coupling partne... Read More about Synthesis of Highly Functionalized Bismacycles via Post-Transmetallation Modification of Arylboronic Acids.

Synthesis of Highly Functionalized Bismacycles via Post-Transmetallation Modification of Aryboronic Acids (2023)
Journal Article

Bismacycles featuring a sulfone-bridged scaffold have recently been developed as versatile and convenient electrophilic arylating agents. Here, we report that the exocyclic aryl group, which is ultimately transferred to a nucleophilic coupling partne... Read More about Synthesis of Highly Functionalized Bismacycles via Post-Transmetallation Modification of Aryboronic Acids.

Solvothermal synthesis of organoclay/Cu-MOF composite and its application in film modified GCE for simultaneous electrochemical detection of deoxyepinephrine, acetaminophen and tyrosine (2023)
Journal Article

An organoclay/copper-based metal-organic framework (MOF) composite was synthesized using a solvothermal method by growing a Cu-BTC (copper(ii) benzene-1,3,5-tricarboxylate) MOF from a mixture of the MOF precursor solution in which various amounts of... Read More about Solvothermal synthesis of organoclay/Cu-MOF composite and its application in film modified GCE for simultaneous electrochemical detection of deoxyepinephrine, acetaminophen and tyrosine.

Application of a Synthetic Ferredoxin‐Inspired [4Fe4S]‐Peptide Maquette as the Redox Partner for an [FeFe]‐Hydrogenase (2023)
Journal Article

‘Bacterial-type’ ferredoxins host a cubane [4Fe4S]2+/+ cluster that enables these proteins to mediate electron transfer and facilitate a broad range of biological processes. Peptide maquettes based on the conserved cluster-forming motif have previous... Read More about Application of a Synthetic Ferredoxin‐Inspired [4Fe4S]‐Peptide Maquette as the Redox Partner for an [FeFe]‐Hydrogenase.

Graphene nanoribbons with hBN passivated edges grown by high-temperature molecular beam epitaxy (2023)
Journal Article

Integration of graphene and hexagonal boron nitride (hBN) in lateral heterostructures has provided a route to broadly engineer the material properties by quantum confinement of electrons or introduction of novel electronic and magnetic states at the... Read More about Graphene nanoribbons with hBN passivated edges grown by high-temperature molecular beam epitaxy.

Parallel Implementation of Nonadditive Gaussian Process Potentials for Monte Carlo Simulations (2023)
Journal Article

A strategy is presented to implement Gaussian process potentials in molecular simulations through parallel programming. Attention is focused on the three-body nonadditive energy, though all algorithms extend straightforwardly to the additive energy.... Read More about Parallel Implementation of Nonadditive Gaussian Process Potentials for Monte Carlo Simulations.

Tungsten Oxide-Based Z-Scheme for Visible Light-Driven Hydrogen Production from Water Splitting (2023)
Journal Article

The stoichiometric water splitting using a solar-driven Z-scheme approach is an emerging field of interest to address the increasing renewable energy demand and environmental concerns. So far, the reported Z-scheme must comprise two populations of ph... Read More about Tungsten Oxide-Based Z-Scheme for Visible Light-Driven Hydrogen Production from Water Splitting.

Silyl Esters as Reactive Intermediates in Organic Synthesis (2023)
Journal Article

Silyl esters have been exploited as metastable reaction intermediates, both purposefully and unintentionally, since at least the 1960s. Their reactivity is broadly related to the substituents on the silicon, and in this way their properties can be re... Read More about Silyl Esters as Reactive Intermediates in Organic Synthesis.

Mapping the Binding Interactions between Human Gasdermin D and Human Caspase-1 Using Carbene Footprinting (2023)
Journal Article

Carbene footprinting is a recently developed mass spectrometry-based chemical labeling technique that probes protein interactions and conformation. Here, we use the methodology to investigate binding interactions between the protease human Caspase-1... Read More about Mapping the Binding Interactions between Human Gasdermin D and Human Caspase-1 Using Carbene Footprinting.

Revisiting the pro-oxidant activity of copper: interplay of ascorbate, cysteine, and glutathione (2023)
Journal Article

Copper (Cu) is essential for most organisms, but it can be poisonous in excess, through mechanisms such as protein aggregation, trans-metallation, and oxidative stress. The latter could implicate the formation of potentially harmful reactive oxygen s... Read More about Revisiting the pro-oxidant activity of copper: interplay of ascorbate, cysteine, and glutathione.

Photochemically Mediated Ring Expansion of Indoles and Pyrroles with Chlorodiazirines: Synthetic Methodology and Thermal Hazard Assessment (2023)
Journal Article

We demonstrate that arylchlorodiazirines serve as photo-activated halocarbene precursors for the selective one-carbon ring expansion of N-substituted pyrroles and indoles to the corresponding pyridinium and quinolinium salts. Preliminary investigatio... Read More about Photochemically Mediated Ring Expansion of Indoles and Pyrroles with Chlorodiazirines: Synthetic Methodology and Thermal Hazard Assessment.

Fibrous TiO2 Alternatives for Semiconductor-Based Catalysts for Photocatalytic Water Remediation Involving Organic Contaminants (2023)
Journal Article

Water decontamination remains a challenge in several developed and developing countries. Affordable and efficient approaches are needed urgently. In this scenario, heterogeneous photocatalysts appear as one of the most promising alternatives. This ju... Read More about Fibrous TiO2 Alternatives for Semiconductor-Based Catalysts for Photocatalytic Water Remediation Involving Organic Contaminants.

Unravelling synergistic effects in bi-metallic catalysts: deceleration of palladium–gold nanoparticle coarsening in the hydrogenation of cinnamaldehyde (2023)
Journal Article

In this work, we demonstrate that the synergistic effect of PdAu nanoparticles (NPs) in hydrogenation reactions is not only related to high activity but also to their stability when compared to Pd mono-metallic NPs. To demonstrate this, a series of m... Read More about Unravelling synergistic effects in bi-metallic catalysts: deceleration of palladium–gold nanoparticle coarsening in the hydrogenation of cinnamaldehyde.

Why charging Li–air batteries with current low-voltage mediators is slow and singlet oxygen does not explain degradation (2023)
Journal Article

Although Li–air rechargeable batteries offer higher energy densities than lithium-ion batteries, the insulating Li2O2 formed during discharge hinders rapid, efficient re-charging. Redox mediators are used to facilitate Li2O2 oxidation; however, fast... Read More about Why charging Li–air batteries with current low-voltage mediators is slow and singlet oxygen does not explain degradation.