#chemscipicks — Public Fediverse posts
Live and recent posts from across the Fediverse tagged #chemscipicks, aggregated by home.social.
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This week’s #ChemSciPicks is an Edge article from Stephen Craig (Duke University), Todd Martinez (Stanford University) and colleagues!
Their study explores structure-property relationships for the force-triggered disrotatory ring-opening of cyclobutene.
Read for free at https://doi.org/10.1039/D5SC00253B!
Symmetry forbidden reactions have been explored comprehensively using theoretical methods but they are incredibly challenging to study using experimental techniques. This is because the competing symmetry allowed pathways typically dominate.
In this work, the authors show that covalent polymer mechanochemistry can be used to broad access to symmetry forbidden reactions, through the specific placement of polymer handles on mechanophore reactants.
The authors use both single molecule force spectroscopy and computation to evaluate substituent effects on disrotatory ring opening of cyclobutene to butadiene. This demonstrates the utility of mechanical bias to force symmetry forbidden processes experimentally.
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The final #ChemSciPicks for this year is "Inverse design of copolymers including stoichiometry and chain architecture" by Gabriel Vogel and Jana Weber from TU Delft.
Read it for free here: https://pubs.rsc.org/en/content/articlelanding/2025/sc/d4sc05900j
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In the ChemSci Pick of the Week, Dr Chaofeng Zhang and colleagues from Anhui University designed a new covalent organic framework with dual redox-active sites through a simple condensation reaction of TA and PTO-NH2 in a Schiff base reaction.
You can read it here, for free: https://doi.org/10.1039/D3SC07013A
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This week’s #ChemSciPicks comes from Patrick Holland at Yale University and looks at an unusual way to access a formally iron(IV) alkyl complexes to form an NNSi2 group. Check out the work here: https://doi.org/10.1039/D3SC05939A
All work published in Chemical Science is free to read via Diamond Open Access!
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In our ChemSci Pick of the Week, Jeremiah Gassensmith et al. (University of Texas at Dallas, USA) show that the biomimetic mineralisation of the inert model antigen ovalbumin (OVA) in zeolitic imidazolate framework-8 (ZIF-8) significantly improves the humoral immune response over three bolus doses of OVA (OVA 3×).
Read the work here, in full and for free: https://pubs.rsc.org/doi/D3SC06734C
#Chemistry #ChemSci #ChemicalScience #ChemSciPicks #Research #Publishing #OpenAccess -
The #ChemSciPicks for this week is from Gabriel Loget, Neso Sojic and colleagues.
Infrared Photoinduced Electrochemiluminescence Microscopy of Single Cells
Read the paper, free via Diamond Open Access, here:
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This weeks #ChemSciPicks is a fantastic Edge article from Charlotte Deane et al., (University of Oxford).
This Edge article reports PoseBusters, a Python package that performs a series of standard quality checks using the well-established cheminformatics toolkit RDKit.
You can read the work for free here:
https://doi.org/10.1039/D3SC04185A
(This was the paper that I was excited to share and I am so glad that the rest of the Chemical Science editorial team agreed with me!)
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This enhances the efficacy of various classes of antibiotics by 32-512 fold, without inducing toxicity towards mammalian cells. The leading combination also disrupts mature multispecies biofilms composed of A. baumannii and methicillin-resistant Staphylococcus aureus (MRSA), which is typically resistant to most antibiotics.
#ChemSciPicks #medchem #AntibioticResistance #antibiotic -
This week's Chemical Science Pick of the Week is "Small Molecular Adjuvant Repurposes Antibiotics towards Gram-negative Bacterial Infections and Multispecies Bacterial Biofilm", by Rajib Dey, Sudip Mukherjee, Riya Mukherjee and Jayanta Haldar from the Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR) in Bangalore, India.
Read it for free with #DiamondOpenAccess: https://doi.org/10.1039/D3SC05124B -
This week's #ChemSciPicks is by Matt Sigman and colleagues at University of Utah, University of Michigan and Joint Center for Energy Storage Research.
✨Data Science Enabled Discovery of a Highly Soluble 2,2’Bipyrimidine Anolyte for Application in a Flow Battery✨
Read here for free, with Diamond Open Access💎: https://doi.org/10.1039/D3SC04084D
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In our #ChemSciPicks this Week, Henrik Sundén et al. (University of Gothenburg, Sweden) report a novel protocol for the long-standing challenge of regioselective ortho halogenation of N-aryl amides and ureas using an oxidative halodeboronation.
You can read the work here, for free: https://doi.org/10.1039/D3SC04628A
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This week's #ChemSciPicks is "A Breath of Sunshine: Oxygenic Photosynthesis by Functional Molecular Architectures", by T. Bobbato, F. Volpato, Andrea Sartorel and Marcella Bonchio.
Read about cutting edge developments in artificial #photosynthesis:
https://pubs.rsc.org/en/content/articlelanding/2023/SC/D3SC03780K -
The #ChemSciPicks this week is from Sabine Richert and colleagues!
"PDI–trityl dyads as photogenerated molecular spin qubit candidates"
Read the paper, for free via Diamond Open Access, here: https://doi.org/10.1039/D3SC04375D
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The #ChemSciPicks this week is from Sabine Richert and colleagues!
"PDI–trityl dyads as photogenerated molecular spin qubit candidates"
Read the paper, for free via Diamond Open Access, here: https://doi.org/10.1039/D3SC04375D
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The #ChemSciPicks this week is from Sabine Richert and colleagues!
"PDI–trityl dyads as photogenerated molecular spin qubit candidates"
Read the paper, for free via Diamond Open Access, here: https://doi.org/10.1039/D3SC04375D
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The #ChemSciPicks this week is from Sabine Richert and colleagues!
"PDI–trityl dyads as photogenerated molecular spin qubit candidates"
Read the paper, for free via Diamond Open Access, here: https://doi.org/10.1039/D3SC04375D
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The #ChemSciPicks this week is from Sabine Richert and colleagues!
"PDI–trityl dyads as photogenerated molecular spin qubit candidates"
Read the paper, for free via Diamond Open Access, here: https://doi.org/10.1039/D3SC04375D
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In our #ChemSciPicks of the Week, Ivan Aprahamian, Grace G. D. Han and colleagues report the design principle of Azo-BF2 derivatives that enables reversible photoswitching in the solid state, exclusively triggered by visible light.
You can read it here, for free: https://doi.org/10.1039/D3SC03465H
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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.
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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 -
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 -
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 -
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
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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 -
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 -
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:
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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
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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:
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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 -
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
#Chemistry #Chemiverse #ChemicalScience #ChemSciPicks @chemistry
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The final Chemical Science Pick of the Week before Christmas is going back to the future (of organolanthanide chemistry)!
Nolwenn Mahieu, Jakub Piątkowski, Thomas Simler and Grégory Nocton (École polytechnique) cover the evolution of organolanthanide chemistry in their Perspective.
The paper is free to read, via Chemical Science's Diamond Open Access publication model:
#ChemSciPicks #Organolanthanide #Lanthanide #Chemistry #Chemiverse #Chemtoots @chemistry
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The final Chemical Science Pick of the Week before Christmas is going back to the future (of organolanthanide chemistry)!
Nolwenn Mahieu, Jakub Piątkowski, Thomas Simler and Grégory Nocton (École polytechnique) cover the evolution of organolanthanide chemistry in their Perspective.
The paper is free to read, via Chemical Science's Diamond Open Access publication model:
#ChemSciPicks #Organolanthanide #Lanthanide #Chemistry #Chemiverse #Chemtoots @chemistry
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The final Chemical Science Pick of the Week before Christmas is going back to the future (of organolanthanide chemistry)!
Nolwenn Mahieu, Jakub Piątkowski, Thomas Simler and Grégory Nocton (École polytechnique) cover the evolution of organolanthanide chemistry in their Perspective.
The paper is free to read, via Chemical Science's Diamond Open Access publication model:
#ChemSciPicks #Organolanthanide #Lanthanide #Chemistry #Chemiverse #Chemtoots @chemistry
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The final Chemical Science Pick of the Week before Christmas is going back to the future (of organolanthanide chemistry)!
Nolwenn Mahieu, Jakub Piątkowski, Thomas Simler and Grégory Nocton (École polytechnique) cover the evolution of organolanthanide chemistry in their Perspective.
The paper is free to read, via Chemical Science's Diamond Open Access publication model:
#ChemSciPicks #Organolanthanide #Lanthanide #Chemistry #Chemiverse #Chemtoots @chemistry
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The final Chemical Science Pick of the Week before Christmas is going back to the future (of organolanthanide chemistry)!
Nolwenn Mahieu, Jakub Piątkowski, Thomas Simler and Grégory Nocton (École polytechnique) cover the evolution of organolanthanide chemistry in their Perspective.
The paper is free to read, via Chemical Science's Diamond Open Access publication model:
#ChemSciPicks #Organolanthanide #Lanthanide #Chemistry #Chemiverse #Chemtoots @chemistry
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The final Chemical Science Pick of the Week before Christmas is going back to the future (of organolanthanide chemistry)!
Nolwenn Mahieu, Jakub Piątkowski, Thomas Simler and Grégory Nocton (École polytechnique) cover the evolution of organolanthanide chemistry in their Perspective.
The paper is free to read, via Chemical Science's Diamond Open Access publication model:
#ChemSciPicks #Organolanthanide #Lanthanide #Chemistry #Chemiverse #Chemtoots @chemistry
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The #ChemSciPicks for this week is from Koji Kubota, Hajime Ito and co-authors at ICReDD Hokkaido University .
A #mechanochemistry protocol is reported for the synthesis of arylmanganese nucleophiles from unactivated manganese in air, avoiding the use of additives or Rieke manganese. The resulting nucleophiles can be used for one-pot addition to electrophiles and Pd-mediated cross-coupling.
Read for free: https://doi.org/10.1039/D2SC05468J
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The #ChemSciPicks for this week is from Koji Kubota, Hajime Ito and co-authors at ICReDD Hokkaido University .
A #mechanochemistry protocol is reported for the synthesis of arylmanganese nucleophiles from unactivated manganese in air, avoiding the use of additives or Rieke manganese. The resulting nucleophiles can be used for one-pot addition to electrophiles and Pd-mediated cross-coupling.
Read for free: https://doi.org/10.1039/D2SC05468J
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The #ChemSciPicks for this week is from Koji Kubota, Hajime Ito and co-authors at ICReDD Hokkaido University .
A #mechanochemistry protocol is reported for the synthesis of arylmanganese nucleophiles from unactivated manganese in air, avoiding the use of additives or Rieke manganese. The resulting nucleophiles can be used for one-pot addition to electrophiles and Pd-mediated cross-coupling.
Read for free: https://doi.org/10.1039/D2SC05468J
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The #ChemSciPicks for this week is from Koji Kubota, Hajime Ito and co-authors at ICReDD Hokkaido University .
A #mechanochemistry protocol is reported for the synthesis of arylmanganese nucleophiles from unactivated manganese in air, avoiding the use of additives or Rieke manganese. The resulting nucleophiles can be used for one-pot addition to electrophiles and Pd-mediated cross-coupling.
Read for free: https://doi.org/10.1039/D2SC05468J