Archive for March, 2017

Tamed radicals expand chemical space

A method to functionalise complex molecules with catalytic radicals could expand chemical libraries of the drug and agrochemical industry

Source: © Royal Society of Chemistry Even complex molecules like the anti-cancer drug camptothecin (top left) can be modified using Molander’s radical alkylation

US scientists have developed a visible-light mediated reaction that uses tamed alkyl radicals to functionalise complex molecules. This mild and selective method could allow chemists to explore new corners of chemical space and to discover new drugs and agrochemicals.

Read the full story by Jessica Dwyer on Chemistry World.

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Neural network provides accurate simulations without the cost

An efficient new computer brain can provide quick answers to computational chemistry problems

A computer that has been taught about organic chemistry can describe the forces in molecules as accurately as density functional theory (DFT), but hundreds of thousands of times faster. This combination of speed and accuracy could allow researchers to tackle problems that were previously impossible.

Chemists hoping to use computer simulations face a dilemma. Researchers commonly need to know the energy of a molecule, and the forces that control how it twists and bends. Accurate methods like DFT, which use quantum mechanics, take the most computer power and time. Approximations such as semi-empirical methods give faster but less reliable results. Although there is a spectrum of options, most techniques ask researchers to trade off speed and accuracy.

Read the full story by Alexander Whiteside on Chemistry World.

 

 

Source: © Royal Society of Chemistry
The neural network can predict molecular energies hundreds of thousands of times faster than DFT

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Awardees of the IUPAC 2017 distinguished women in chemistry or chemical engineering

To celebrate International Women′s Day on the 8th March 2017, IUPAC was pleased to announce the awardees of the IUPAC 2017 Distinguished Women in Chemistry or Chemical Engineering:

 

This award aims to acknowledge and promote the work of women chemists and chemical engineers throughout the world. All awardees have been selected based on excellence in basic or applied research, distinguished accomplishments in teaching or education, or demonstrated leadership or managerial excellence in the chemical sciences.

The award ceremony will take place during the IUPAC World Chemistry Congress in São Paulo, Brazil in July, coinciding with a special symposium on Women in Chemistry.


We are delighted to announce that Professor Jihong Yu, an Associate Editor for Chemical Science, has been awarded this prize. Congratulations!

Professor Jihong Yu

 

Professor Yu is a Fellow of the Royal Society of Chemistry, Secretary-General of the International Zeolite Association (IZA) and in 2015 was officially elected as Academician by the Chinese Academy of Sciences.

Professor Yu’s group’s research focuses on three main areas, including synthesis of new types of inorganic microporous materials, investigating new routes to the synthesis of inorganic microporous materials, and working toward the rational design and synthesis of inorganic microporous materials.

 

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Putting the ‘ant’ in antibiotics

Bacteria living on African ants make polyketides that are active against some drug resistant bacteria, new research shows.

An impending crisis due to the rise of antibiotic resistant bacteria means there is high demand for new drugs to treat infections. Natural products shape the backbone of the antibiotics we use today, over half of which derive from compounds made byStreptomyces and other soil microbes. But researchers are now looking in more unusual locations for the next generation of antibiotics.

Source: © Royal Society of Chemistry
Formicamycins are more potent than the previously reported and structurally related fasamycins

 

Matt Hutchings from the University of East Anglia and colleagues have discovered a new family of antibacterial polyketides, called formicamycins, in bacteria living onTetraponera penzigi, a species of fungus-growing plant-ant. Not only have the team found a new family of molecules but the bacteria that made them, Streptomyces formicae, is new to the scientific community too. ‘Plant roots have lots of Streptomycesbacteria in them, and lots of insects like ants, particularly fungus-growing ants, also pick up these bacteria,’ Hutchings explains.

Read the full story by Adrian Robinson in Chemistry World.


This article is Open Access.

Z Qin et al., Chem. Sci., 2017, DOI: 10.1039/c6sc04265a

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