86-year old Hammett equation gets a machine learning update

The Hammett equation, a chemical theory that is over 80 years old, is being expanded upon and improved with the help of machine learning. The equation, which can help to explain the electron-donating or withdrawing nature of aromatic substituents via calculation of Hammett constants, has been analysed computationally by a team of Brazilian researchers who […]

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US Chemical Safety Board’s former head accused of improper payments

The embattled US Chemical Safety Board (CSB), the small independent federal agency charged with investigating serious industrial chemical accidents, continues to court controversy. Most recently, it has come to light that former chairwoman Katherine Lemos – who resigned from the CSB last year, reportedly citing ‘eroded confidence’ in the board’s ability to focus on its […]

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Chemical weapons expert forces UK government to back down on blacklisting policy

UK government rules that prevented Dan Kaszeta, a chemical weapons expert, from speaking at an international conference organised by the Ministry of Defence have been suspended following a legal challenge. Under the rules, speakers could be blacklisted if they had criticised the government on social media over the past five years. Kaszeta, an associate fellow […]

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Protein folding stability set to be unravelled on a massive scale

A new high-throughput technique can analyse the folding stabilities of nearly one million protein sequences at a time. The unprecedented method – which is fast, accurate and scalable – promises to help understand how amino acid sequences fold into three dimensional conformations, while providing the data needed to improve machine learning models. The propensity for […]

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Polymer upcycling strategy adds azide groups with electrocatalysis

Electrocatalysis can be used to functionalise C(sp3)–H bonds along a polymer chain, new research shows. The functionalised polymers can then be modified using click chemistry and upcycled into a new material. The problems created by single-use plastics are well known, with the visible growth of the Great Pacific garbage patch bringing fresh concern about waste […]

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Model solves mystery of unique chemical garden growth

An unusual mathematical model has recreated the intricate crystal growth patterns of chemical gardens, finally explaining how these beautiful, lifelike structures form. These intriguing formations of inorganic crystals have fascinated scientists for hundreds of years and the chemical reactions which create these precipitates are well-understood. ‘When you drop a metal salt crystal into a solution […]

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When is an algorithm not an algorithm?

A word previously well known to mathematicians but probably not to the general public, algorithm had begun to seep into the general awareness during the early years of the computer age. As the computer age mutated into the information age, algorithm became one of the buzz words, echoing around the world and seeming to transmute […]

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Illumina’s Grail quest results in epic fine

The EU slapped gene sequencing company Illumina with a record €432 million (£372 million) fine in July for going ahead with its acquisition of cancer detection firm Grail before competition authorities had cleared the deal. The penalty reflected the European commission’s frustration with Illumina’s decision to proceed with its $8 billion acquisition in August 2021, […]

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