You can read the work here, for free: https://pubs.rsc.org/en/content/articlelanding/2023/sc/d3sc03049k

The Shultz group examines relationships between molecular structure of paramagnetic molecules and their properties, so called "magneto-structural correlations." These studies are important first steps in the design of molecules for spintronics (spin-based electronics) and for understanding and controlling electron transfer and transport.

#chemistry #chemiverse #ChemicalScience #ChemSciPicks

In this #ChemSciPicks David Schultz et al. present the photoinduced electron spin polarisation (ESP) of a spin- ½ organic radical (nitronyl nitroxide), in a series of Pt(II) complexes comprised of 4,4’-di-tert-butyl-2,2’-bipyridine and 3-tert-butylcatecholate (CAT) ligands, where the CAT ligand is substituted with (CH3)n-meta-phenyl-NN groups.
 
You can read the work here, for free: https://pubs.rsc.org/en/content/articlelanding/2023/sc/d3sc03049k

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This week's Chemical Science Pick of the Week #ChemSciPicks is a Review on transition-metal (oxy)nitride photocatalysts for water splitting by Kazunari Domen and colleagues. #photoredox #catalysis

Read it for free with #DiamondOpenAccess 👉
https://pubs.rsc.org/en/content/articlelanding/2023/sc/d3sc03198e

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#chemicalscience

The #ChemSciPicks features a protocol for borole synthesis via aluminum–boron exchange by Dr Holger Braunschweig et al. from Institute for Sustainable Chemistry & Catalysis with Boron at the University of Würzburg.

Read the manuscript for free here:
https://pubs.rsc.org/en/content/articlelanding/2023/SC/D3SC02668J

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In our #ChemSciPicks for this week, Zhi-Jian Zhao, Jinlong Gong and colleagues describe a new strategy for the global optimization of complex catalytic surfaces using a hybrid evolutionary algorithm that combines differential evolution and genetic algorithms with a co-evolution framework.

You can read it here, for free: https://doi.org/10.1039/D3SC02974C

#chemistry #chemiverse @chemistry #catalysis #MachineLearning #ai

Our #ChemSciPicks this week is a Perspective from Laura Dassama and Fangfang Shen of Stanford! 🎉🎉🎉

The work covers the opportunities and challenges of protein-based targeted protein degradation.

Read for free here:
https://doi.org/10.1039/D3SC02361C

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In our #ChemSciPicks of the Week, Kyle Lancaster et al. (Cornell University, USA) show via substitutions of the capping Phe in Nitrosomonas europaea cyt P460 that the bulky phenyl side-chain promotes the heme-lysine cross-link forming reaction operative in maturing the cofactor. The Phe side-chain plays an important role in modulating product selectivity between N2O and NO during NH2OH oxidation under aerobic conditions.

Read more here:
https://pubs.rsc.org/en/content/articlelanding/2023/sc/D3SC02288A

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In our ChemSci Pick of the Week, Luke A. Baldwin et al. (Air Force Research Laboratory, USA) report the use of continuous flow chemistry paired with multi-objective optimisation and active machine learning to optimise the synthesis of small molecule pyridinium salts and functionalisation of polymers.

You can read the work here, for free: https://pubs.rsc.org/en/content/articlelanding/2023/sc/D3SC01303K

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This week’s #ChemSciPicks is on the continuous flow synthesis of pyridinium salts accelerated by multi-objective Bayesian optimisation with active learning by Dr Luke A. Baldwin et al.

Read for free via Diamond Open Acces:

https://doi.org/10.1039/D3SC01303K

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This week’s Chemical Science Pick of the Week #ChemSciPicks is from Todd Martinez et al. from Stanford University!

https://doi.org/10.1039/D3SC01202F

The authors have used a computational framework for automatic reaction discovery and kinetic model construction to explore the elementary reactions during methane pyrolysis. They automatically build the methane reaction network, going from ab initio molecular dynamics to kinetic modeling predictions.

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In this #ChemSciPicks, Wybren Jan Buma (University of Amsterdam, the Netherlands), Wiktor Szymanski and Ben L. Feringa et al (University of Groningen, the Netherlands) present a simple strategy to boost the reactivity of the 9,10-phenanthrenequinone (PQ) triplet state to further enhance the efficiency of the light-induced photocycloaddition of 9,10-phenanthrenequinone with electron-rich alkenes reaction (PQ-ERA).

https://pubs.rsc.org/en/content/articlelanding/2023/sc/d3sc01760e

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In our ChemSci Pick of the Week, Tomislav Friščić et al have reported direct mechanocatalysis by resonant acoustic mixing.

The method uses a metal surface to directly catalyse copper-catalysed alkyne-azide click coupling reactions under the conditions of resonant acoustic mixing.

You can read the work here, for free: https://pubs.rsc.org/en/Content/ArticleLanding/2023/SC/D3SC01591B

#chemistry #chemiverse #chemicalscience #chemscipicks @chemistry

Our #ChemSciPicks this week is on the sodium mediated deprotonative borylation of arenes using sterically demanding B(CH2SiMe3)3. This work is by Eva Hevia, Max García-Melchor and colleagues!

Read for free:

https://doi.org/10.1039/D3SC01705B

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The #ChemicalScience #ChemSciPicks for this week brings to you a thorough study investigating substituent effects on aromatic interactions in water by Professor Christopher A. Hunter, Professor Pablo Ballester and colleagues.

Read for free:
https://doi.org/10.1039/D3SC01027A

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This week's Chemical Science Pick of the Week #ChemSciPicks is "Taming the parent oxoborane", by Sakya Sen and coworkers from the CSIR-National Chemical Laboratory.

Congratulations on isolating the first stabilized parent oxoborane (HBO) complex, and a rare bora-carboxylic acid (BOOH) and reactive BH3 compound as well!

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In our ChemSci Pick of the Week, Barry Potter (University of Oxford, UK) and Stephen Butler (Loughborough University, UK) report the first molecular probe for the selective and sensitive detection of the most abundant cellular inositol pyrophosphate, 5-PP-InsP5, as well as an efficient new synthesis.

You can read the work here, for free: https://pubs.rsc.org/en/content/articlelanding/2023/sc/d2sc06812e

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The mechanistic insight provided into the properties governing anion selectivity for both mobile and membrane-anchored carriers has the potential to provide a basis for the design of selective anionophores for future therapeutic applications.

You can read the work here, for free: https://pubs.rsc.org/en/content/articlelanding/2023/sc/d3sc01170d

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In this #ChemSciPicks the authors use scanning electrochemical microscopy to demonstrate that electrochemically induced bromination can open and regulate the band gap of single layer graphene (SLG) by forming single layer graphene bromide (SLGBr). A Schottky junction can then be formed by SLG/SLGBr/SLG and the degree of current rectification tuned via the degree of bromination. Through this route, a means to regulate the band gap of SLG is demonstrated.

https://doi.org/10.1039/D2SC06800A

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Introducing a real-time assay to monitor individual enzymatic steps of sialic acid biosynthesis as our #ChemSciPicks. This research is from @PhosphorusFive and @LeibnizFMP with applications in metabolic glycoengineering #Glycotime

Free to read:
https://pubs.rsc.org/en/content/articlelanding/2023/SC/D2SC06986E

Introducing a real-time assay to monitor individual enzymatic steps of sialic acid biosynthesis as our #ChemSciPicks. This research is from @PhosphorusFive and @LeibnizFMP with applications in metabolic glycoengineering #Glycotime

Free to read:
https://pubs.rsc.org/en/content/articlelanding/2023/SC/D2SC06986E