Chemical Science

Social media and connecting with our community – moving on from X. rsc.org/news-events/ar…

🔥 New and HOT in Chemical Science! “Cu-mediated bipolar-type extended π-conjugated microporous polymers for lithium-ion battery cathodes with high energy density and fast-charging capability” by Wei Lyu and Yaozu Liao et al. Read it for free: pubs.rsc.org/doi/D4SC08244C

🔥 New and HOT in Chemical Science! “Enhancing binding affinity predictions through efficient sampling with a re-engineered BAR method: a test on GPCR targets” by Sangbae Lee and Art Cho et al. from Korea University, inCerebro, and Atomatrix Read it: pubs.rsc.org/doi/D5SC01030F

Don't miss Silke Johannsen, Roland K. O. Sigel et al's recent article #ChemSciCovers 'Elucidating the solution structure of the monomolecular BCL2 RNA G-quadruplex: a new robust NMR assignment approach' 🔗 doi.org/10.1039/D5SC01… @sigel_lab @AliciaDguez1

📢 NEW #ChemSciCovers 'Evidence for I2 loss from the perovskite–gas interface upon light-induced halide segregation' by Hemamala I. Karunadasa et al. 🔗 doi.org/10.1039/D4SC08…

Don't miss Gayan B. Wijeratne, Brad S. Pierce, Hannah S. Shafaat et al's recent article #ChemSciCovers 'Modulation of heme peroxo nucleophilicities with axial ligands reveal key insights into the mechanistic landscape of nitric oxide synthase' 🔗 doi.org/10.1039/D4SC08…

Issue 22 is here! Our front cover this week features Helen Tran et al 🤩 'Sequence-defined peptoids via iterative exponential growth' 🔗 doi.org/10.1039/D5SC01… #ChemSciCovers

Happy to share our recent work in collaboration with @DA_catalysisLab @monojitroy80013 wherein we use a structurally transformed C70 complex to mimic alkene ozonolysis under red light irradiation @ChemicalScience. @Ranit96Banerjee @MedhaAggarwal4 @psm_lab doi.org/10.1039/D5SC01…

OPEN SINGLET DIRADICALOID as intermediate in the Ca-mediated reductive coupling of isocyanide finally resulting in a deltate complex. A unique mechanism in group 2 metal mediated reductive C-C coupling @ChemicalScience pubs.rsc.org/en/content/art…

🔥HOT🔥 research just published in Chemical Science! "Flexible phosphonium and sulfonate pair-to-pair self-assembled ionic organic single crystals for iodine capture" by Jia Chen, Hongdeng Qiu and co-workers (Chinese Academy of Sciences). Free to read: doi.org/10.1039/D5SC02…

This latest HOT article from Sangbae Lee, Art Cho and colleagues at inCerebro, Korea University and Atomatrix develops a new method for predicting the binding affinity of ligand-receptor complexes by re-engineering the BAR method. Read for free! doi.org/10.1039/D5SC01…

"Reduced steric hindrance in a multicarbazole phenanthrene system facilitates low D–A angle, increased oscillator strength, enhanced TADF efficiency with NLO and Piezoelectric properties". Thanks collaborators Pankaj Mandal, Boomishankar. Chemical Science, doi.org/10.1039/D5SC02…

Corni's latest work on symmetrical and unsymmetrical cyclic diborenes is now published in @ChemicalScience! Many thanks to @kar_sourav, Andreas, @dario_duwe, and Rian! #chemtwitter #11B #UniWue pubs.rsc.org/en/content/art…

🚨 New paper alert! 🚨 Our latest study on #MOFs has just been accepted in @ChemicalScience! 🎉 👉 pubs.rsc.org/en/content/art… In collaboration with Omar Yaghi’s group at @UCBerkeley, we used molecular simulations 🖥️ to unravel how alkali metal ions (Li⁺, Na⁺, and K⁺) are taken up by MOF-808 from aqueous solution. 🌊 We show how pore size, hydration, and ion identity dictate both thermodynamics and kinetics of uptake, which provides key insights for designing #MOFs that can efficiently extract critical metals from dilute sources like #seawater. @UCSanDiego @UCSDPhySci @UCSDChemBiochem @HDSIUCSD @SDSC_UCSD

Published in @ChemicalScience: We used QM/MM MD & OPES simulations (pathCV) to study a multi-step chemical reaction catalyzed by a peptide ligand-protected metal nanocluster! Congrats, @tiwarivikas0 superb effort!👏 pubs.rsc.org/en/content/art… @CCMB_IITD @Chemistry_iitd @iitdelhi

The method allows for direct observation of molecular motion differences attributed to polymer chain structures within real materials.

This allows tracking of the DCF in the DCF-Cu polymer on Cu (111) and exploration of the behaviour with increasing temperature - branched structures are found to be less mobile and linear structures and shorter polymers with free ends have greater mobility.

🔥 New and HOT in Chemical Science! "Structural flexibility and mobility of coordination polymers on Cu(111)" by Waka Nakanishi, Masayuki Takeuchi and Keisuke Sagisaka from NIMS, Japan. Read it for free: doi.org/10.1039/D5SC01…

@gilliardgroup @ccclabmit @RJGilliard Here, the authors use the elimination of hexamethylbenzene to construct transient sterically unhindered boron-containing unsaturated bonds.

This week's #ChemSciPicks comes from Robert J Gilliard and Christopher Cummins (Massachusetts Institute of Technology, United States). @gilliardgroup @ccclabmit @RJGilliard Read it for free here: doi.org/10.1039/D5SC02…