Themed collection Welcoming our new Reaction Chemistry & Engineering Editorial Board members

Self-optimising chemical systems have experienced a growing momentum in recent years. Herein, we review algorithms used for the self-optimisation of chemical reactions in an accessible way for the general chemist.

Flow biocatalysis: where to start? This tutorial review aims to guide and inspire new-comers to the field to boost the potential of flow biocatalysis.

A non-natural histidinium amino acid has been developed and used for solid-phase peptide synthesis to construct a peptide iridium carbene conjugate as artificial mini-peptide for hydrogenation catalysis.

An automated continuous flow reactor system for the optimisation of nanoparticle catalysed reactions, demonstrated through the optimisation of a gold nanoparticle catalysed nitrophenol reduction reaction.

Correlated wavefunction theory predicts and high-resolution crystal structure analysis confirms the important, stabilizing effect of simultaneous hydrogen bond donor and acceptor interactions in proteins.

A predictive approach for driving down machine learning model errors is introduced and demonstrated across discovery for inorganic and organic chemistry.

We herein report experimental applications of a novel, automated computational approach to chemical reaction network (CRN) identification.

The primary amine of betazole is synthesised from an alcohol in a one-pot, continuous flow biocatalytic cascade, using a PBR hosting a multienzyme co-immobilised system with constant O₂ supply for in situ cofactor recycling, yielding 2.59 g L⁻¹ h⁻¹.

Improved synthesis through the use of alternating polarity.

As an alternative to the traditional chemical synthesis or in vivo production of L-pipecolic acid, we have developed two ex vivo strategies using purified and immobilised enzymes for the production of this key building block.

Enumerated, de novo transition metal complexes have unique spin state properties and accelerate machine learning model training.

Large scale quantum mechanical simulation systematically reveals length scales over which electronically driven interactions occur at enzyme active sites.