Chemical Science

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[Royal Society of Chemistry @RoySocChem]

Social media and connecting with our community – moving on from X.

https://t.co/XzdoBjBvlv

[Chemical Science @ChemicalScience]

🔥 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: https://t.co/dN8QzPQF8m

[Chemical Science @ChemicalScience]

🔥 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: https://t.co/y0zDC9McS6

[Chemical Science @ChemicalScience]

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'

🔗 https://t.co/72rZiRPQBW

@sigel_lab @AliciaDguez1

[Chemical Science @ChemicalScience]

📢 NEW #ChemSciCovers

'Evidence for I2 loss from the perovskite–gas interface upon light-induced halide segregation' by Hemamala I. Karunadasa et al.

🔗 https://t.co/AyFpbwVRAo

[Chemical Science @ChemicalScience]

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'

🔗 https://t.co/C7KHCb7Fr6

[Chemical Science @ChemicalScience]

Issue 22 is here!

Our front cover this week features Helen Tran et al 🤩

'Sequence-defined peptoids via iterative exponential growth'

🔗 https://t.co/wwJDGfgVAh

#ChemSciCovers

[Ranit Banerjee @Ranit96Banerjee]

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
https://t.co/gSQ4WcnFYJ

[Harder-Research @harder_research]

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 https://t.co/FeZxgliWdz

[Chemical Science @ChemicalScience]

🔥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: https://t.co/wD3WF2Bhrl

[Chemical Science @ChemicalScience]

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!
https://t.co/tZP8f30ReP

[Partha Hazra, IISER Pune @ParthaH25004207]

"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, https://t.co/eK4gUmd5tI

[The Braunschweig Group @LabBraunschweig]

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

https://t.co/qNMvV13YVD

[Paesani Lab @PaesaniLab]

🚨 New paper alert! 🚨
Our latest study on #MOFs has just been accepted in @ChemicalScience! 🎉

👉 https://t.co/9grNv3UVpA

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

[Tarak Karmakar @TarakChem]

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!👏
https://t.co/XWcxSMJYAe
@CCMB_IITD @Chemistry_iitd @iitdelhi

[Chemical Science @ChemicalScience]

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

[Chemical Science @ChemicalScience]

🔥 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:
https://t.co/kTWGNhAciy

[Chemical Science @ChemicalScience]

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.

[Chemical Science @ChemicalScience]

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

[Chemical Science @ChemicalScience]

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: https://t.co/pabA68tFXH