Our chairs @albrecht-lab.bsky.social and @evaheviagroup.bsky.social are excited to welcome you to Bern and the opening #eucomc2025

Now out in Chemical Science doi.org/10.1039/D4SC... #compchem

Atom-based machine learning for estimating nucleophilicity and electrophilicity with applications to retrosynthesis and chemical stability

Nucleophilicity and electrophilicity are important properties for evaluating the reactivity and selectivity of chemical reactions. It allows the ranking of nucleophiles and electrophiles on reactivity...

doi.org

Jan H. Jensen@janhjensen.bsky.social · 2y ago

New preprint from my group: Atom-Based Machine Learning for Estimating Nucleophilicity and Electrophilicity with Applications to Retrosynthesis and Chemical Stability doi.org/10.26434/che... #compchem

Join us in Copenhagen for the European Symposium on Organic Chemistry (x.com/ESOC_ISC, June 29-July 3) this summer: www.esoc2025.com

Join us in Copenhagenfor the European Symposium on organic chemistry this summer: www.esoc2025.com

If you want to join @lcsolab.bsky.social or any other laboratory at NCCR Catalysis for your master thesis, the Young Talents Fellowship is a great occasion! www.linkedin.com/posts/nccr-c...

NCCR Catalysis on LinkedIn: 2025 Young Talents Fellowship

🌱🧪 Applications Open: 2025 NCCR Catalysis Young Talents Fellowship! 🔬💻 We’re excited to launch the fourth edition of our #NCCRCatalysis Young Talents…

linkedin.com

Inverse Design of Singlet-Fission Materials with Uncertainty-Controlled Genetic Optimization doi.org/10.1002/anie... #compchem

Inverse Design of Singlet‐Fission Materials with Uncertainty‐Controlled Genetic Optimization

We uncover candidates for singlet fission using a machine learning-driven uncertainty-controlled genetic algorithm (ucGA), which is run either in an exploitative or explorative manner. Leveraging a f...

doi.org

We have a chemistry data undergraduate internship open in Macclesfield, only a couple of days left to apply! Don't contact me, follow the link: astrazeneca.wd3.myworkdayjobs.com/Emerging-Tal...

Our work on macrocyclic HDAC11 inhibitors is now out in JACS Au! pubs.acs.org/doi/10.1021/... #openaccess #chemsky

Discovery of De Novo Macrocycle Inhibitors of Histone Deacetylase 11

Histone deacetylase (HDAC) enzymes are epigenetic regulators that affect diverse protein function by removing acyl groups from lysine side chains throughout the proteome. The most recently discovered ...

pubs.acs.org

Daniela Danková@danieladankova.bsky.social · 2y ago

Happy to share the latest preprint from my PhD studies on the discovery of de novo macrocyclic inhibitors of HDAC11. This was a great collaboration between @christianaolsen.bsky.social lab (@carlosmyruela.bsky.social, @tnhansen.bsky.social) and Christian Heinis lab (@alexanderln.bsky.social).

Hello, Bluesky! ☀️ We fund frontier research in Europe—bold ideas, unexpected discoveries and science that shapes the future. So it’s only fitting we’ve landed here. Sorry for being late. Follow us for updates on ERC funding, research policy, and our grantees' discoveries.

Our research group, together with Alex Bell, Ji Su, Corine Scown, will be recruiting postdoc candidates to conduct research on aspects of the polymer deconstruction process that we recently published in Science (www.science.org/doi/10.1126/...).

Polyolefin waste to light olefins with ethylene and base-metal heterogeneous catalysts

The selective conversion of polyethylene (PE), polypropylene (PP), and mixtures of these two polymers to form products with high volume demand is urgently needed because current methods suffer from lo...

science.org

SMARTpy: a Python package for the generation of cavity steric molecular descriptors and applications to diverse systems doi.org/10.1039/D4DD... #compchem

SMARTpy: a Python package for the generation of cavity steric molecular descriptors and applications to diverse systems

Steric molecular descriptors designed for machine learning (ML) applications are critical for connecting structure–function relationships to mechanistic insight. However, many of these descriptors are...

doi.org

New preprint from my group: Enhancing Chemical Synthesis Planning: Automated Quantum Mechanics-Based Regioselectivity Prediction for C-H Activation with Directing Groups doi.org/10.26434/che... #compchem

Our work on Ni-Catalyzed Cross-Electrophile Coupling of Aryl Triflates with Alkyl Halides is now online at JACS @pubs.acs.org. Congrats to Seoyoung, Matt, Ben, and Daniel! doi.org/10.1021/jacs.4c14769

Nickel-Catalyzed Cross-Electrophile Coupling of Aryl Triflates with Alkyl Halides: Mechanism-Informed Design of More General Conditions

Aryl triflates make up a class of aryl electrophiles that are available in a single step from the corresponding phenol. Despite the known reactivity of nickel complexes for aryl C–O bond activation of phenol derivatives, nickel-catalyzed cross-electrophile coupling using aryl triflates has proven challenging. Herein, we report a method to form C(sp2)–C(sp3) bonds by coupling aryl triflates with alkyl bromides and chlorides using phenanthroline (phen) or pyridine-2,6-bis(N-cyanocarboxamidine) (PyBCamCN)-ligated nickel catalysts. The scope of the reaction is demonstrated with 38 examples (61 ± 14% average yield). Mechanistic studies provide a rationale for the conditions used and a roadmap for further applications of cross-electrophile coupling. First, the rate of alkyl radical generation is controlled by maintaining the majority of alkyl halide as the alkyl chloride, which is unreactive, and utilizing a dynamic halide exchange process to adjust the concentration of reactive alkyl bromide or iodide. Second, the challenge of using electron-rich aryl triflates appears to be due to off-cycle transmetalation to form unproductive aryl zinc reagents. The optimal PyBCamCN ligand together with LiCl avoids this deleterious transmetalation step.

doi.org

𝐏𝐡𝐃 𝐏𝐨𝐬𝐢𝐭𝐢𝐨𝐧𝐬 𝐚𝐯𝐚𝐢𝐥𝐚𝐛𝐥𝐞! 🎉 The Day lab is hiring two PhD candidates to work on developing new transition-metal-catalyzed methods to transform CO2 into polymers or pharmaceuticals! jobportal.ku.dk/phd?show=163... Applications are open until February 14th 2025. Please feel free to share!

PhD fellowship in synthesizing CO2-derived materials

jobportal.ku.dk

Welcome @swisschemistry.bsky.social , we also added you to the growing Chemists in Switzerland starter pack go.bsky.app/CdvVFKj

Here is a tentative Supramolecular Chemistry starter kit. Please let me know if you wish to be added ! #ChemSky go.bsky.app/RjRgi6n

Now out in PeerJ Physical Chemistry: Beyond predefined ligand libraries: a genetic algorithm approach for de novo discovery of catalysts for the Suzuki coupling reactions doi.org/10.7717/peer... #compchem

🎉 Thrilled to formally post that I'll be starting as an assistant professor at the #University_of_Copenhagen in March 2025! I'm incredibly grateful to the #NovoNordiskFoundation, my amazing mentors #TroelsSkrydstrup, #JohnHartwig, #RubenMartin, #JeremiahJohsonson and everyone in 🇨🇦 🇩🇰 🇪🇸 🇺🇸 . #chemsky

Our OrgChem Starter Pack is growing with already 122 entries, but we will start a volume 2 if we go over the 150 limit! go.bsky.app/NSEFPFJ

The department of chemistry at U Chicago featured our paper www.nature.com/articles/s41... on using covalent organic frameworks for CO2 capture. Wonderful collaboration with Omar Yaghi chemistry.uchicago.edu/news/co2-cap...

In my first #bsky post, I am very happy and proud to share the new(ish) preprint of my post doc project on N-terminal cysteine (NCys) chemoprotomics using the oxSTEF probes! Preprint at 👉 www.doi.org/10.26434/chemrxiv-2024-4w549 Skeeturial (??) below ⬇️ #ChemSky #ChemBio

I am working on a Phosphorus Chemistry starter pack. Happy for any suggestions! #ChemSky go.bsky.app/J7TFAPk

Resharing the SCIENCE family journal editors, now with our plants expert @maddyseale.bsky.social 🪴🪻 🧪 go.bsky.app/CQytTHw

Glad to have re-found #realtimechem. Looking for to engaging on synthesis, catslysis, functional materials, mentorship, entrepreneurship, higher ed teaching and education administration. Love N,O-chelates and early transition metals BEST!

Hi #ChemSky! 👋 We see you! Please give us a moment to get settled here.

Here are the Science family journal editors currently on Bluesky, including the whole Science Immunology crew! 🧪 go.bsky.app/CQytTHw

If your just joining us over here, we're a new journal from the Nature Reviews family. We're focused on sustainable tech and processes, how we get them into the real world, and what impact it has once there Follow us for journal and cleantech news 📰

First post and I’m excited to connect with #chemsky! My group has a broad interest in molecular inorganic and organometallic #chemistry with a focus on developing new platforms for controlling the selectivity of (electro)catalytic reactions. We also have an open postdoc position, see 👇 for info!

First post. Happy to report a new JACS paper out after proof 10.1021/jacs.4c11054 'Intramolecular Csp3-H activation at a Platinum (IV) Center resulting from O2 activation: the role of a proton-responsive ligand and trans influence.' Juan Rueda Espinosa, Wen Zhou, Jennifer A. Love, Shrinwantu Pal