#ChemicalScience

@robpollice.mstdn.science.ap.brid.gy

3 weeks ago

eCyclopropanation – A Safe and Scalable Electrochemical Route to Cyclopropanes Diazo compounds are among the most versatile intermediates in organic synthesis, enabling high-value transformations such as cyclopropanation, X–H insertion, and heterocycle formation. However, their intrinsic instability and hazardous nature have severely restricted their practical use, particularly at scal

#RobSelects paper of the week #ChemicalScience: Electrochemical one-pot method for rhodium(II)-catalyzed cyclopropanation via in situ oxidation of tert-butyl hydrazones to diazo compounds. #catalysis https://doi.org/10.1039/D5SC08940A

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RSC Chemical Biology

@rscchembio.rsc.org

1 month ago

We are sponsoring the RSC CBBG Forum with poster prizes from #OBC, #ChemicalScience, #RSCChemBio and #RSCMedChem!
Poster Abstract deadline 6th February, so register now!
📆6th March
📍Cardiff University
🔗www.rsc.org/events/detail/82568/2026...

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@thetheatom.bsky.social

1 month ago

AI-assisted chemical synthesis using collective intelligence. Machines can dream chemistry we couldn't imagine. What even is chemistry anymore? #ChemicalScience #AI #Chemistry #SciComm

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Green Chemical Engineering

@greenche.bsky.social

1 month ago

🌳New Paper🌳
A #computational workflow for predicting #protein #oligomer complex structure induced by small-molecule #PPI modulators: validation with BMS-1166 induced PD-L1 Homodimers

#Greenchemistry #ChemicalScience
🔗👉 doi.org/10.1016/j.gc...

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Green Chemical Engineering

@greenche.bsky.social

2 months ago

🌳New Paper🌳
Efficient removal and direct arylation of #Eucalyptus #lignin by a #phenol-enhanced ternary #DES

#Greenchemistry #ChemicalScience
🔗👉 doi.org/10.1016/j.gc...

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Robert Pollice

@robpollice.mstdn.science.ap.brid.gy

2 months ago

A Visualizable and Widely Applicable Steric Repulsion Descriptor for Guiding Experimental Chemistry While steric effects fundamentally shape molecular behavior and are experiencing renewed interest across chemistry, visualizing where they occur remains challenging. Indeed, steric interactions have traditionally been depicted in a qualitative, often sketchy manner. We present SELF (Steric Exclusion Localiza

#RobSelects paper of the week #ChemicalScience: Real-space analysis and visualization of steric repulsion based on the Pauli kinetic energy excess. #compchem https://doi.org/10.1039/D5SC07952G

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Abdellah

@abdelibra.bsky.social

2 months ago

Metal-free visible-light carbonylation of alkyl iodides to amides via consecutive photoinduced electron transfer A visible-light-driven, metal-free carbonylation of unactivated alkyl iodides is reported, enabling the direct synthesis of 35 structurally diverse amides in good to excellent yields. The reaction sho...

Thrilled to share our new paper published in #ChemicalScience on "Metal-free visible-light carbonylation of alkyl iodides to amides via consecutive photoinduced electron transfer"!
A big congratulations to all the collaborators for this exciting work! 🎉

pubs.rsc.org/en/content/a...

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Green Chemical Engineering

@greenche.bsky.social

2 months ago

🌳New Paper🌳
From Crystalline to Amorphous: V2CTx #MXene Cathodes Enable High-Capacity and Long-Life Aqueous Zinc-Ion Batteries
#Greenchemistry #ChemicalScience #Catalysis #Battery
🔗👉 doi.org/10.1016/j.gc...

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ABC Chemistry

@abcchemistry24.bsky.social

2 months ago

Cheers to a fresh start! Happy New Year 2026!

Cheers to a fresh start! Happy New Year 2026!
#NewYearOffer #ChemicalScience #CBSE #NET #JAM #GATE #CUET #abcchemistry #organicchemistry

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Green Chemical Engineering

@greenche.bsky.social

2 months ago

🌳New Paper🌳
In situ Interfacial Reconstruction Coupled with Phosphorus Gradient Doping for Achieving Durable and High #Energy #Li-Rich #Cathodes
#Greenchemistry #ChemicalScience #Catalysis #Battery
🔗👉 doi.org/10.1016/j.gc...

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Robert Pollice

@robpollice.mstdn.science.ap.brid.gy

4 months ago

AM-C33: An Altermagnetic Carbon Altermagnetic materials have recently garnered significant attention due to their combined advantages of spin-splitting characteristics inherent to ferromagnets and the zero-net-moment stability of antiferromagnets. p-electron spintronics materials intrinsically exhibit long-distance spin coherence and long

#RobSelects paper of the week #ChemicalScience: Computational design of a carbon allotrope exhibiting altermagnetic semiconductor properties. #matchem https://doi.org/10.1039/D5SC05194K

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Robert Pollice

@robpollice.mstdn.science.ap.brid.gy

8 months ago

Molecular Machine Learning Approach to Enantioselective C–H Bond Activation Reactions: From Generative AI to Experimental Validation Molecular machine learning (ML) has gained considerable attention in recent years. Developing ML algorithms for chemical reaction prediction is a formidable task, due to the small-sized reaction data it often presents, besides the sparsity and skewed distribution. While previous ML studies offered effective

#RobSelects paper of the week #ChemicalScience: Catalytic carbon-hydrogen activation outcome prediction and ligand design with finetuned language models. #catalysis https://doi.org/10.1039/D5SC01098E

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Leticia González

@letigonzalez.bsky.social

9 months ago

Ultrafast solvent migration in an iron complex revealed by nonadiabatic dynamics simulations The response of a solvation shell to molecular solute photoexcitation is an ubiquitous phenomenon of great relevance in chemistry. This response can occur within just few tens of femtoseconds, making ...

#LVC/MM to study an Fe complex excited state dynamics ☀️ in explicit solvent with #SHARC 🦈. A wonderful work from Severin Polonius and @sebastian-mai.bsky.social .
Published in #ChemicalScience @rsc.org
@univie.ac.at

pubs.rsc.org/en/content/a...

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Ellis Crawford

@elliscrawford.fediscience.org.ap.brid.gy

1 year ago

Original post on fediscience.org

Nominations for the Chemical Science Lectureship are closing on the 1st of March!

We are looking for researchers in the area of imaging, biosensing or diagnostics, that have published in Chemical Science in the past 5 years.

Find out more at https://rsc.li/chemsci-lectureship25

#Chemistry […]

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Ellis Crawford

@elliscrawford.fediscience.org.ap.brid.gy

1 year ago

A promotional image for the Chemical Science Lectureship, with nominations closing on the 1st of March 2025 The text states "Who will you nominate for the Chemical Science Lectureship?" Nominate your winner by 1st March 2025. The background graphic is a cyan colour with fibre optic strands. In the top right hand corner is the logo of the Royal Society of Chemistry. In the lower corner is an image noting that it is the 15th anniversary of the journal Chemical Science.

⏰ Nominations for our very first Chemical Science Lectureship will close soon, on the 1st of March. If you haven't nominated yet, now is the time! ⏰

This year we’re looking for researchers in the field of imaging, biosensing or diagnostics at any […]

[Original post on fediscience.org]

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Ellis Crawford

@elliscrawford.fediscience.org.ap.brid.gy

1 year ago

A promotional image for Chemical Science showing a pair of metallic hands holding reacting molecules in a large bubble. The text says: Chemical Science 15th anniversary: leading investigators themed collection Celebrating leading researchers who started their careers within the lifetime of the journal Read the growing collection

Chemical Science is celebrating its 15th anniversary in 2025! We are publishing a special collection showcasing work from leading investigators from across all areas of chemistry who started their independent careers in the 15 years since […]

[Original post on fediscience.org]

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Ellis Crawford

@elliscrawford.fediscience.org.ap.brid.gy

1 year ago

Original post on fediscience.org

First direct chemical synthesis of a gene over 1700 nucleotides long covered by Chemistry World!

www.chemistryworld.com/news/first-direct-chemic...

Read the full paper in Chemical Science (which is free to read!) here […]

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Tom Sheppard

@sheppardtomd.bsky.social

1 year ago

Borate-Catalysed Direct Amidation Reactions of Coordinating Substrates The catalytic activity of different classes of boron catalysts was studied in amidation reactions with 4-phenylbutylamine/benzoic acid, and with 2-aminopyridine/phenylacetic acid. Whilst a simple boro...

Our new borate amidation catalyst is now published in #ChemicalScience @roysocchem.bsky.social If you are making amides, it's super easy to try it out by generating the catalyst in situ from commercial reagents. doi.org/10.1039/D4SC... Collaboration with @hrzepa.bsky.social Burés & Whiting!

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Dmitri Kireev

@dmitri-kireev.bsky.social

1 year ago

Functionally active modulators targeting the LRRK2 WD40 repeat domain identified by FRASE-bot in CACHE Challenge #1 Critical Assessment of Computational Hit-Finding Experiments (CACHE) Challenges emerged as real-life stress tests for computational hit-finding strategies. In CACHE Challenge #1, 23 participants contr...

Our CACHE Challenge adventure is now published in Chemical Science! After identifying a winning hit series, we took it further—showing target-mediated effect in cells. A big thanks to our amazing team!
Stay tuned!
doi.org/10.1039/D4SC...
#DrugDiscovery #ChemicalScience

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Olivier Chuzel

@ochuzel.bsky.social

1 year ago

Competing pathways to aromaticity governed by amine dehydrogenation and metal-organic complexation in on-surface synthesis We investigated the reactivity of a gem-dichlorovinyl-carbazole precursor in the on-surface synthesis approach. Our findings reveal that, on the Au(111) surface, the thermally-induced dehalogenation r...

Great new collaboration with Sylvain Clair #iSm2 #IM2NP at @univ-amu.fr, and Pr. Yousoo KIM at #RikenUniversity. This is my first experience with surface polymer synthesis. To be continued...
Now published in #ChemicalScience pubs.rsc.org/en/content/a...

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Robert Pollice

@robpollice.mstdn.science.ap.brid.gy

1 year ago

Inverse design of copolymers including stoichiometry and chain architecture The demand for innovative synthetic polymers with improved properties is high, but their structural complexity and vast design space hinder rapid discovery. Machine learning-guided molecular design is a promising approach to accelerate polymer discovery. However, the scarcity of labeled polymer data and the

#RobSelects paper of the week #ChemicalScience: Variational autoencoder for property-directed inverse design of organic copolymers. #aichem https://doi.org/10.1039/D4SC05900J

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Leticia González

@letigonzalez.bsky.social

1 year ago

Please add your favorite RSC journals here.
I personally would like #ChemicalScience, #PCCP, and #DigitalDiscovery for a start.

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Leticia González

@letigonzalez.bsky.social

1 year ago

SHARC meets TEQUILA: Mixed Quantum-Classical Dynamics on a Quantum Computer using a Hybrid Quantum-Classical Algorithm Recent developments in quantum computing are highly promising, particularly in the realm of quantum chemistry. Due to the noisy nature of currently available quantum hardware, hybrid quantum-classical...

Discover the first paper of Eduarda Sangiogo-Gil at @univie.ac.at on #quantumComputing ⚛️ and #SHARC 🦈 , just accepted in #ChemicalScience ! 🥳🥳
With @markusoppel.bsky.social and @kottmann.bsky.social

“SHARC meets TEQUILA”
pubs.rsc.org/en/content/a...

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Carlos Sanchez Cano

@csc-xibl.bsky.social

1 year ago

Unveiling the spatial rearrangements of exhausted immobilised multi-enzyme systems through cryo-X-ray fluorescence nanoprobe imaging Enzyme immobilisation is of great importance for the fabrication of heterogeneous biocatalysts, as it allows the stabilisation of proteins using a solid support. Moreover, it permits their reuse in co...

Good to see this out in #ChemicalScience, it was coming for a while. Great work with Fernando Lopez-Gallego and Javier Santiago from #CICbiomaGUNE at the #esrf

Have a look to see how we use X-rays to study the exhaustion of biocatalysts!

@dipcehu.bsky.social

pubs.rsc.org/en/content/a...

12 4 1 1

Niklas von Wolff

@vonwolffchem.bsky.social

1 year ago

#chemicalscience #chemsky #organometallic

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Anna Slater

@annagslater.bsky.social

1 year ago

Graphic with two macrocycles in the centre (one smaller, 2+2 macrocycle; one larger underneath), with arrows pointing to three distinct packing motifs on the left, and two crystal structures on the right.

#justaccepted in #ChemicalScience: Abbie's publication on the dynamic and solid-state behaviour of bromoisotrianglimine! 🎉 Turns out this macrocycle has a few new tricks, including new packing motifs and the formation of a rare [4+4] isotrianglimine via templating. pubs.rsc.org/en/content/a...

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Posts tagged #ChemicalScience