@ChemicalScience

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rsc.org/publishing/journals/chemical-science
Joined August 2009
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4.9KMedia
Social media and connecting with our community – moving on from X. rsc.org/news-events/articles…
Social media – just like our partnerships, conferences, events and networks that span the globe – connects us with the wonderful worldwide chemical sciences community. As a community, we care about protecting our natural environment, about tackling discrimination to build a truly inclusive world, and about making cutting-edge chemistry accessible wherever it’s needed for the good of society. We have connected with our community on Twitter – now X – for 15 years, sharing our passion for the power of chemistry to change the world – and to make it more open, more green and more equal. But, as it becomes increasingly difficult to have constructive, evidence-based and respectful conversations on these topics we care deeply about, our community is leaving this platform. And consequently, so are we. From now on, we will not post on any of our Royal Society of Chemistry X accounts.

ALT Social media – just like our partnerships, conferences, events and networks that span the globe – connects us with the wonderful worldwide chemical sciences community. As a community, we care about protecting our natural environment, about tackling discrimination to build a truly inclusive world, and about making cutting-edge chemistry accessible wherever it’s needed for the good of society. We have connected with our community on Twitter – now X – for 15 years, sharing our passion for the power of chemistry to change the world – and to make it more open, more green and more equal. But, as it becomes increasingly difficult to have constructive, evidence-based and respectful conversations on these topics we care deeply about, our community is leaving this platform. And consequently, so are we. From now on, we will not post on any of our Royal Society of Chemistry X accounts.

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🔥 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
Graphical abstract image for the new Chemical Science Hot article "Cu-mediated bipolar-type extended p-conjugated microporous polymers for lithium-ion battery cathode with high energy density and fast-charging capability". The image shows the structure of the microporous polymer and how copper binding increases the number of bipolar active sites and increases the conjugation, leading to better performance in lithium ion batteries.

ALT Graphical abstract image for the new Chemical Science Hot article "Cu-mediated bipolar-type extended p-conjugated microporous polymers for lithium-ion battery cathode with high energy density and fast-charging capability". The image shows the structure of the microporous polymer and how copper binding increases the number of bipolar active sites and increases the conjugation, leading to better performance in lithium ion batteries.

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🔥 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
Graphical abstract image for the new paper in Chemical Science titled "Enhancing binding affinity predictions through efficient sampling with re-engineered BAR method: test on GPCR targets". The image shows the chemical structure of a GPCR protein and examples of binding to it

ALT Graphical abstract image for the new paper in Chemical Science titled "Enhancing binding affinity predictions through efficient sampling with re-engineered BAR method: test on GPCR targets". The image shows the chemical structure of a GPCR protein and examples of binding to it

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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/D5SC01416F @sigel_lab @AliciaDguez1
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📢 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/D4SC08092K
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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/D4SC08701A
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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/D5SC01296A #ChemSciCovers
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Chemical Science retweeted
Ranit Banerjee@Ranit96Banerjee
5 Jun 2025
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/D5SC01015B
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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/arti…
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🔥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/D5SC02039E
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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/D5SC01030F
A graphical abstract image for the paper "Enhancing binding affinity predictions through efficient sampling with a re-engineered BAR method: a test on GPCR targets" showing protein structures.

ALT A graphical abstract image for the paper "Enhancing binding affinity predictions through efficient sampling with a re-engineered BAR method: a test on GPCR targets" showing protein structures.

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"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/D5SC02107C
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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/arti…

Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation†

Cyclic diborenes are recognized for their diverse reactivity and properties arising partly due to their ring strain. However, progress in this field has be

pubs.rsc.org
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Chemical Science retweeted
Paesani Lab
@PaesaniLab
2 Jun 2025
🚨 New paper alert! 🚨 Our latest study on #MOFs has just been accepted in @ChemicalScience! 🎉 👉 pubs.rsc.org/en/content/arti… 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
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Chemical Science retweeted
Tarak Karmakar@TarakChem
4 Jun 2025
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/arti… @CCMB_IITD @Chemistry_iitd @iitdelhi
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🔥 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/D5SC01949D
Graphical abstract image for “Structural flexibility and mobility of coordination polymers on Cu(111)” by Waka Nakanishi, Masayuki Takeuchi and Keisuke Sagisaka. The image shows copper coordination polymer chains and how their behaviour changes as a function of temperature with an increase in temperature from 4 Kelvin to 71 Kelvin resulting in the chains transitioning from frozen to vibrational motion and then meandering motion which then leads to cross-linking.

ALT Graphical abstract image for “Structural flexibility and mobility of coordination polymers on Cu(111)” by Waka Nakanishi, Masayuki Takeuchi and Keisuke Sagisaka. The image shows copper coordination polymer chains and how their behaviour changes as a function of temperature with an increase in temperature from 4 Kelvin to 71 Kelvin resulting in the chains transitioning from frozen to vibrational motion and then meandering motion which then leads to cross-linking.

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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.
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The method allows for direct observation of molecular motion differences attributed to polymer chain structures within real materials.
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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/D5SC02645H
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Here, the authors use the elimination of hexamethylbenzene to construct transient sterically unhindered boron-containing unsaturated bonds.
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