Blueprint for the Catalysis Data Infrastructure

The development of a prototype for the UKCH catalysis data infrastructure (CDI) presents a dashboard listing of publications, datasets, and authors data. The data is presented as indicators that demonstrate the impact of the UKCH, providing insight into the number and types of publications, author statistics, institutional collaborations, and research…

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Enzyme Biocatalysis for the Circular Recycling of Plastics

John is a Professor of Structural Biology focused on the global challenge of plastic pollution and leads a team of scientists researching natural enzyme discovery and engineering. Their work revealed the detailed workings of an enzyme that can digest polyethylene terephthalate (PET), and more recently, demonstrated that engineering these enzymes…

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How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: A computational study

The ‚ÄúMAX‚ÄĚ-phase of over 100 ternary carbides/nitrides was first identified in the 1960s.[1] The nomenclature is an abbreviation of the general formula of these 2D material ‚ÄėMn+1AXn‚Äô, whereby M denotes a transition metal and A/X represent an A group element and carbon/nitrogen respectively.[2] They also display a very novel combination of properties‚Ķ

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Harnessing Conformational Dynamics and Computational Design to Generate Proficient Kemp Eliminase Activity on a Precambrian Scaffold

Recent years have seen an explosion of interest in computational protein design, to either design new enzymes completely de novo or to redesign existing enzymes towards novel catalytic properties. The Kemp elimination reaction has been a particularly popular model system for both experimental and computational design studies, despite inherent challenges…

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Molecular raincoats, Fe-TAML and Enzyme addition

Homogeneous/biocatalysis in traditional aqueous media often suffer from poor substrate solubility, and difficult catalyst/product separation and subsequent catalyst recycle. Ionic liquids possess a number of tunable properties favorable for supporting homogeneous/biocatalysis integrity by adjusting ionic liquids hydrophobicity, hydrophilicity, acid-base properties and intermolecular interactions, hence, ionic liquids are emerging as a…

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