We are the Computational Chemistry Lab (CCL) at IISc Bengaluru, Department of Organic Chemistry. Student run Twitter profile.
Joined November 2021
- Tweets 82
- Following 155
- Followers 419
- Likes 115
18 Photos and videos
May 6
Congratulations to Ritwika @chatt_ritwika on successfully defending her PhD thesis! We sincerely thank Prof. Ankan Paul for graciously conducting the viva voce examination, and Prof. Dean Tantillo @TantilloLab for his thorough and meticulous review of the thesis.
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May 4
New study out now in @JCIM_JCTC : QM/MM reveals the origin of stereodivergence in CALB-catalyzed transacylation tuned by noncovalent interactions. Congrats @MaheshHarariya and @balhara_reena!
pubs.acs.org/doi/10.1021/acs…
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Apr 27
Study from the group now out in @J_A_C_S: Engineered myoglobin reduces ketones via stepwise MHAT PCET, clarifying elusive Fe–H intermediates. Axial ligands/electric fields tune reactivity—guiding new metalloenzyme design. Congrats @chatt_ritwika!
pubs.acs.org/doi/10.1021/jac…
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2 Oct 2025
Our paper challenging the mechanism of Cu-catalyzed carbene insertion into N-H, O-H, & S-H bonds is published in JACS Au! 🎉
Congrats to co-first authors @arushiaol & @kritigu17669152! Thanks to @serbonline for funding!
Read it here: pubs.acs.org/doi/full/10.102…
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21 Mar 2025
Congratulations to Reena @balhara_reena on successfully defending her PhD thesis! We sincerely thank Prof. Kumar Vanka @KumarVanka1 for graciously conducting the in-person thesis viva at @iiscbangalore, and Prof. Dean Tantillo @TantilloLab for his thorough review of the thesis.
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CCL@IISc retweeted
21 Mar 2025
I’m delighted to share that I’ve been selected as one of the participant to attend the 74th Lindau Nobel Laureate Meeting in Chemistry to be held in Lindau, Germany. This is an incredible opportunity to engage with Nobel Laureates and to learn from the best in the field #LINO25
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18 Mar 2025
Our latest study unveils a crossover between conventional cross-coupling & carbene insertion pathways in a Pd-catalyzed C(sp²)–H insertion using experimental & computational tools. Congratulations @arushiaol Kritika @AnubhavGoswami6 @ArkoSeal Mayuk !
pubs.rsc.org/en/content/arti…
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13 Mar 2025
An account detailing our research on metal-associated enols as key intermediates in controlling enantioselectivity in carbene insertion reactions is now available online.
Congratulations @DevDodiya2 @MaheshHarariya !
thieme-connect.com/products/…
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17 Jan 2025
Pleased to share our recent publication in @ACSCatalysis revealing the pivotal role of the intrinsic electric field in driving the catalytic efficiency of fumarase and insights into enzymatic olefin hydration. Congratulations @chatt_ritwika @balhara_reena pubs.acs.org/doi/10.1021/acs…
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14 Oct 2024
Our group’s review on carbene insertion mechanisms and stereoselectivity is now published in Chemical Society Reviews! Big shoutout to Reena & Ritwika for this exciting work! 👏🌟 @ChemSocRev @balhara_reena @chatt_ritwika @RoySocChem.
pubs.rsc.org/en/content/arti…
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5 Aug 2024
Our latest publication in @ACSCatalysis underscores the crucial role of cesium base and Rh catalyst in attaining unique chemoselectivity for C-H insertion over O-H in phenols, as shown by Ab initio quantum calculations. Congratulations @RominGogoi! pubs.acs.org/doi/full/10.102…
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CCL@IISc retweeted
10 Jul 2024
Just out @NatureComms, our mild, carbene-catalyzed atroposelective synthesis of N-aryl Phthalimides/Maleimides via acid activation strategy. Congratulations Soumen & Sowmya👏! Thank U🙏@serbonline for funding & @JindalLab for DFT studies!
@iiscbangalore
rdcu.be/dNhVX
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1 Aug 2024
Happy to have contributed in this interesting work! Congratulations @sapnarawat1004 @GaneshAK1612 @Tushraa!
1 Aug 2024
Our catalytic, strain-enabled strategy for accessing functionalized skipped dienes in a highly stereoselective fashion is now out in @ACSCatalysis. Thanks, @serbonline @iiscbangalore, for funding. Thanks, @JindalLab, for the DFT studies. pubs.acs.org/doi/full/10.102…
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CCL@IISc retweeted
25 Mar 2024
Check out our latest preprint on @ChemRxiv on dearomative cascade cyclo addition reaction.
Nice work by @pramod88794451
and sanghamitra. Thanks @JindalLab for the collaboration chemrxiv.org/engage/chemrxiv…
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13 Jan 2024
Excited to share that our perspective on "Transition Metal Catalyzed MCRs Based on Trapping of Allylic Electrophiles" is published in @ChemCatChem and can be viewed at doi.org/10.1002/cctc.2023012…. Congratulations to the authors @kritigu17669152 @MaheshHarariya @arushiaol .
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CCL@IISc retweeted
21 Nov 2023
Happy😃to share the NHC-catalyzed synthesis of C‐O axially chiral diaryl ethers by desymmetrization, just out in @angew_chem. Thank you @serbonline for funding the work🙏, @JindalLab for DFT studies👍! Congratulations @SayanShee7 et al👏!
@iiscbangalore
onlinelibrary.wiley.com/doi/…
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10 Nov 2023
Thrilled to announce the publication of our latest research published in @ChemEurJ, authored by @MaheshHarariya @RominGogoi @AnubhavGoswami6 and can be viewed at doi.org/10.1002/chem.2023019…
Thanks to @iiscbangalore @CSIR_IND @EduMinOfIndia @serbonline for support and funding.
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10 Aug 2023
Thrilled to share our recent work published in @ChemicalScience:
doi.org/10.1039/D3SC02788K
Congratulations to @chatt_ritwika for #MyFirstChemSci!
Thanks to @iiscbangalore @DAEIndia @EduMinOfIndia for support
A🧵 summarizing key findings: (1/n)
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10 Aug 2023
...factor in the complementary stereocontrol in the two mutants! We're pleased to have shown, through molecular-level insights and a clear mechanistic picture, that controlling key biocatalytic intermediates is foundational to achieving enhanced stereocontrol in... (10/n)
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10 Aug 2023
...enzymatic reactions. We sincerely hope that our study is helpful to our colleagues involved in rational and mechanism driven protein design for newer biocatalytic systems! Please feel free to reach out to us with any comments! (11/fin)
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