@CompCatLab

Computational Quantum Chemist, Associate Professor at IIT Mandi, HP, India

 Mandi, Himachal Pradesh, India
compcatlab.com
Joined December 2019
  • Tweets322
  • Following719
  • Followers540
6Media
Our recent work on photochemistry of 2-coordinate Cu(I)-NHC/acetylide complex has been published @InorgChem ! Excellent work by @TanuSha29299614, @Nirbhaythakur99 , @nitish111S ! Thanks to @TomohiroOgawa8 for the calculations! Thanks to @ANRFIndia for💰. doi.org/10.1021/acs.inorgche…
13
7
93
2,954
Fantastic…many congratulations 🥂 Narayan and team.
1
1
115
Replying to @drjnpg @angew_chem @SoumenKuila98 @ANRFIndia
Many Congratulations 🙌 Jayanta and team!
1
1
51
Gold is not just a carbophilic activator - it is also a powerful cross-coupling catalyst! Explore the developments, challenges and opportunities in Au(I)/Au(III) redox catalysis in our Chemical Reviews. @ACSPublications @Biswajit_B3108 @bera_prafu37761 @i_am_karjun @chm_iiserb @iiserbhopal Article link- pubs.acs.org/chreay/article-…
13
15
2
161
6,516
Many Congratulations 🙌 Prof. Patil and Team.
1
1
146
Check out our recent work 👇 Reaction–Transport Coupling Drives Spatiotemporal Organization in Fuel‐Driven Supramolecular Polymerization, Now published in Angew. Chemie. Int. Ed. onlinelibrary.wiley.com/doi/… lead by my joint student, Akta, with @Jmondal_tifrh. @Chemie_iisertvm

Reaction–Transport Coupling Drives Spatiotemporal Organization in Fuel‐Driven Supramolecular...

Fuel-driven supramolecular polymerization coupled to polymer length-dependent transport gives rise to propagating polymerization fronts and spatiotemporal self-organization. Reaction-transport...

onlinelibrary.wiley.com
7
3
1
31
4,745
Congratulations, Pushpita and team 👏
1
2
144
Special milestone achieved– my first publication as a Corresponding Author! I am grateful to my supervisor @D_A_Pantazis for trusting me with this responsibility and for his constant guidance and support throughout this work. Check this out with DOI: /lnkd.in/eKa_nsJp
9
25
968
Congratulations, Shalini👏
1
1
61
Bhaskar Mondal retweeted
Mayank Mahajan@MayankM72Jul 6
Why do some nitrene transfer catalysts show exceptional selectivity? Our @Wiley_Chemistry Encyclopedia article highlights computational insights into enzymes & biomimetic catalysts. Thanks to my supervisor @CompCatLab & the editors! onlinelibrary.wiley.com/doi/… #CompChem #Catalysis

Computational Insights into the Nitrene Transfer Reactions

Transition-metal-catalyzed nitrene transfer reactions represent an important class of C–N bond-forming transformations, enabling processes such as amination, amidation, and aziridination. This...

onlinelibrary.wiley.com
6
3
7
548
Happy to share our latest work, now published in Nature! Ligand-enabled remote C–H activation converts abundant saturated fatty acids into desaturated lactones. rdcu.be/fqn7c lnkd.in/dCYs2CMR Thanks to @NandanNilekani Foundation, @ANRFIndia @iitbombay @dm_lab
133
112
26
834
88,972
Hearty Congratulations 👏Debu da @maiti_iitb and team!
2
811
Bhaskar Mondal retweeted
Trayambak Basak@trayambakbasakJan 9
Check out the central role of prolyl-4-hydroxylation in establishing collagen triple helices. Kudos to @j__ashutosh. Collaboration with @CompCatLab Thanks for funding @ANRFIndia @DBTIndia @IntSocMatBio @amsocmatbio #CollagenPTM @iit__mandi doi.org/10.1042/bcj20253467
8
6
1
23
1,065
Bhaskar Mondal retweeted
Trayambak Basak@trayambakbasakJan 28
Decoding ECM remodeling: proteases as gatekeepers of Lysyl oxidase family‐mediated crosslinking - great job Ashutosh, Abhi & Antara - @FEBSJournal - excellent Collab @CompCatLab @IntSocMatBio @amsocmatbio Thanks @ANRFIndia febs.onlinelibrary.wiley.com…

FEBS Press

Metallo- and serine proteases such as BMP-1 and Factor Xa, respectively, are known to catalyze the hydrolysis of pro-LOX and pro-LOXL family proteins into their processed forms in the extracellular...

febs.onlinelibrary.wiley.com
8
7
1
21
1,577
Bhaskar Mondal retweeted
Trayambak Basak@trayambakbasakMar 30
Check out this intratissue-specific collagen PTM heterogeneity study by MTech Bioengg Student @Ashnig09, mentored by graduate scholar @j__ashutosh!! Collab @CompCatLab @BiochemistryACS pubs.acs.org/doi/full/10.102… Funding @ANRFIndia @IntSocMatBio @amsocmatbio

Deciphering the Intratissue-Specific Collagen PTM Site-Specific Heterogeneity in Human Adrenal...

Abstract. Adrenal glands are one of the pivotal glands of the human endocrine system. Recently, the extracellular matrix (ECM) of the adrenal capsule and c

pubs.acs.org
12
7
1
40
1,366
Bhaskar Mondal retweeted
Trayambak Basak@trayambakbasakMay 4
This book brings together in some ways the growing Matrix Biology community in India, with contributors across institutitions. Thrilled to have been able to help put this together with @AdhesionLab
7
2
28
3,471
How do structural features govern the catalytic mechanism of lysyl hydroxylases? Explore our latest review in @jbiolchem with @trayambakbasak and @dkumar02. Great effort by @GhoshSusovon9 and @Swapnilapram1!
Dilip Kumar Tiwari@dkumar02Jun 18
Glad to share our review article ‘Structural and Mechanistic Insights into the Catalytic Versatility of Lysyl Hydroxylases in Collagen Post-Translational Modifications’ -JBC jbc.org/article/S0021-9258%2… @AshokaUniv @TSB_Ashoka @trayambakbasak @CompCatLab @Swapnilapram1 @GhoshSusovon9

Structural and mechanistic insights into the catalytic versatility of lysyl hydroxylases in...

Iron-dependent lysyl hydroxylases (LHs) play a pivotal role in collagen biosynthesis by catalyzing post-translational modifications (PTMs) of lysine residues. These PTMs involve site-specific...

jbc.org
4
3
1
16
1,598
Bhaskar Mondal retweeted
Amit Pawar@PABLAB_iitmandiJun 17
From Synthesis to Calculations—one student led it all. Excited to share our @JACS_Au article on harnessing iodonium ylides in metalloradical catalysis. Congrats to @Nnavi1sahota! Synergistic collaboration with @CompCatLab. Thanks @ANRFIndia for ARG grant. pubs.acs.org/doi/10.1021/jac…

Metalloradical Activation of Iodonium Ylides for Catalytic Radical Cyclization via Fe(III)-Based...

Abstract. Transition metal-catalyzed olefin cyclization via metalloradical catalysis (MRC) is a highly versatile strategy for synthesizing functionalized c

pubs.acs.org
13
11
76
2,423
Metalloradical catalysis via Fe-porphyrin-carbene intermediate! Kudos to @Nnavi1sahota for single-handedly leading the synthesis and calculations. Enduring collaboration with @PABLAB_iitmandi, with more to come! Thanks to @ANRFIndia and @iit__mandi. pubs.acs.org/doi/10.1021/jac…

Metalloradical Activation of Iodonium Ylides for Catalytic Radical Cyclization via Fe(III)-Based...

Abstract. Transition metal-catalyzed olefin cyclization via metalloradical catalysis (MRC) is a highly versatile strategy for synthesizing functionalized c

pubs.acs.org
10
12
76
3,344
Bhaskar Mondal retweeted
IIT Mandi@iit__mandiJun 10
A New Era of Engineering Education Begins at IIT Mandi! Proud to announce the launch of 3 future-focused B.Tech programmes designed to shape the next generation of innovators, researchers, & technology leaders. @EduMinOfIndia @Dir_IIT_Mandi @PIB_India #IITMandi
🤖 Made with AI
1
16
2
54
4,930
IIT Mandi welcomes the first batch of B.Tech. in Chemical Engineering with Data Analytics! A unique program integrating Chemical Engineering with Data Science & AI to prepare future leaders in technology and innovation. #IITMandi #ChemicalEngineering #AIML
1
3
14
376
And we are on the cover of JACS!!! Check our recent perspective on AI/ML for chemical reactivity and catalysis: doi.org/10.1021/jacs.5c17786 @ACSPublications #MyACSCover #Compchem #MachineLearning #RealTimeChem #Cheminformatics
2
2
25
1,742
Beautiful work!!! Many congratulations, Kostas.
44
Happy to share our review in @FEBSJournal with the @trayambakbasak lab on the mechanistic insights into the protease-mediated processing of lysyl oxidases. Fantastic teamwork by Ashutosh, Abhi, and Antara! febs.onlinelibrary.wiley.com…
4
4
16
627
Congratulations @saikat_orgchem, @arkachem99, @Jaitri_Das, @SayanDey97, @JagritiChaturv6 @ChattopadhyayL1 group from @IISERPune for their aliphatic (alpha, beta, gamma and delta) sp3 CH borylation published in @J_A_C_S! Thanks to the Huang group for DFT. pubs.acs.org/doi/10.1021/jac…

Iridium-Catalyzed Borylation of Strong Alkyl C(sp3)–H Bonds of Sulfonamides Enabled by Triflyl...

Abstract. The development of new catalytic methods for the functionalization of strong and inert sp3 C–H bonds remains a major area of interest in syntheti

pubs.acs.org
26
14
1
175
8,295
Many Congratulations, Buddha da and team!
1
2
198
Pleased to share our Chemical Reviews @ACSChemRev" Base Metal Catalysis in Nitrene Transfer Reactions" | Chemical Reviews. Thanks to @ANRFIndia for the financial support. We sincerely thank @IISERPune for all the support. pubs.acs.org/doi/10.1021/acs…

Base Metal Catalysis in Nitrene Transfer Reactions

Abstract. Leveraging base metal catalysis to transform small organic molecules by forging X–N bonds (X = C, N, P, S) through nitrene transfer reactions (NT

pubs.acs.org
7
9
1
110
4,245
Many Congratulations, Buddha da and team!
1
48
Load more