Molecular trap that snares many different drugs could save lives during overdoses

A macrocyclic compound has shown promise as a broad-spectrum antidote for drugs of abuse – including opioids, stimulants and hallucinogens – some of which currently have no reversal agent such as methamphetamine and phencyclidine (PCP). The pillararene compound P6AS can sequester drug molecules inside itself and changes their properties, and if administered following an overdose […]

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3M pledges to exit PFAS manufacturing

US manufacturing giant 3M has decided to remove all per- and polyfluoroalkyl substances (PFAS) from its product portfolio and ‘exit all PFAS manufacturing’ by the end of 2025. It’s a significant move for a company that has been a major manufacturer of such compounds for many decades. Currently, 3M estimates that its PFAS products are […]

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Proteins behind diatoms’ intricate nanoscale-patterned shells revealed

The discovery of three new proteins involved in controlling the formation of the intricate patterns of nanoscale pores in diatom shells opens the path towards manipulating the process to structure materials. These uses could include patterning in meso- and macroporous materials for photonics, catalysis and sensors. Diatom shells pose an interesting technical challenge. These single […]

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Algorithm produces one of the best solutions to molecules’ Schrödinger equations yet

A new deep-learning algorithm from researchers in Austria has produced more accurate numerical solutions to the Schrödinger equation than ever before for a number of different molecules at relatively modest computational cost – although the work itself may subsequently have been surpassed by research from Google’s DeepMind. Surprisingly, the Austrian researchers found that, whereas some […]

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Deep learning lets algorithm produce best solutions to molecules’ Schrödinger equations yet

A new deep-learning algorithm from researchers in Austria produces more accurate numerical solutions to the Schrödinger equation than ever before for a number of different molecules at relatively modest computational cost. Surprisingly, the researchers found that, whereas some ‘pre-training’ of the algorithm could improve its predictive abilities, more substantial training was actively harmful. As the […]

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2023 new year honours reward services to science

Chemists and others working in the chemical sector and related scientific fields are among those to have been recognised in the UK’s 2023 new year honours list. Astex Pharmaceuticals co-founder and chief executive Harren Jhoti, who was Chemistry World’s entrepreneur of the year in 2007, is awarded an OBE for services to cancer research and […]

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Benchtop machine automates synthesis of drug screening hits

Researchers in Switzerland have synthesised lead compounds using a compact, capsule-based instrument.1 The automated process is much more efficient than manual synthetic methods so could be used to streamline drug discovery campaigns. Drug discovery hinges on being able to explore vast amounts of chemical space. Virtual screening is an essential tool that allows drug discovery […]

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God made all things by measure, number and weight[1]

God made all things by measure, number and weight[1] The first history of science, history of mathematics book I ever read was Lancelot Hogben’s Man Must Measure: The Wonderful World of Mathematics, when I was about six years old. It almost certainly belonged to my older brother, who was six years older than I. This didn’t […]

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