ASG Lab is dedicated to helping academics create a good research environment that effectively enhances their achievements, research work, publications, and teaching experience. We also want to collaborate with students, colleagues, and the wider academic community. With our expertise in academics and experience in computational studies, we aim to help academics stand out and advance their careers. As an Assistant Professor of Chemistry, my research interests revolve around Catalysis and Computational Studies. I am also interested in forming inorganic coordination complexes with which several organic transformation reaction can be carried out under photo-redox and electrochemical conditions. I am committed to pushing the boundaries of scientific knowledge and fostering a collaborative research environment. This platform provides an insight into my academic journey and the services I offer. Explore further to learn about my team and the unique aspects of my academic approach.
EDUCATION
Ph.D. from Indian Institute of Technology Kanpur, Post Doctoral Fellowship from Indian Institute of Technology (ISM) Dhanbad
RESEARCH, TEACHING, or OTHER INTERESTS
Chemistry, Inorganic Chemistry, Physical and Theoretical Chemistry, Catalysis
Cascade C─H-Alkenylation-Intramolecular Aminative Cyclization of Benzylsulfonamides for Synthesis of Isoindoline Cores Arup Bairagi, Arunava Sengupta, Sohel Ali, Aditya Paul, Somnath Yadav Asian Journal of Organic Chemistry, 2025 Several isoindoline‐core‐bearing compounds are pharmaceutically relevant due to their activity against a myriad of diseases. Traditionally, the isoindoline core is synthesized from benzylamines by two‐step synthesis involving ortho‐C─H alkenylation followed by acid‐ or metal‐catalyzed cyclization. In this study, we execute a direct synthesis of the isoindoline core by a one‐step procedure involving the ortho‐C─H alkenylation‐oxidative followed by intramolecular aminative cyclization of pyridinesulfonamide derivatives of benzylamines with different acrylates and vinyl sulfones using Pd(II)‐salt as catalyst, Ag(I)‐salt as additive, and Cu(II)‐salt as oxidant. The reactions are tolerant of several functional groups on the benzylamine as well as different alkyl groups on the acrylates, providing the isoindoline products with moderate to excellent yields. Control experiments and computational studies revealed the importance of the pyridine‐3‐sulfonamide for the reaction since it provides a key intramolecular site for stabilizing an intermediate species which favors the C─H activation and oxidative amination‐based cyclization process.
Asymmetric Ring-Opening Transformation of Racemic Aziridines: Enantioselective Route to Benzodiazepines Amit K. Sharma, Satysen Yadav, Arunava Sengupta, Noimur Rahman, Manas K. Ghorai Journal of Organic Chemistry, 2025 We report an example of dynamic kinetic resolution (DKR) in general and dynamic kinetic asymmetric transformation (DyKAT) in particular in the ring-opening transformation of racemic 2-aryl-N-tosylaziridines employing a strategically designed N-nucleophile and Cu(I)-(S)-BINAP as the chiral Lewis acid catalyst, furnishing the desired ring-opening products with excellent yield (up to 98%) and excellent enantioselectivity (up to 99% ee). The ring-opening products on intramolecular cyclization using AgNO3/DBU produced various 1,4-benzodiazepine derivatives in excellent yields (up to 88%) and enantioselectivity (up to 97% ee).
Four-Component Selenoazaindolylation-Alkoxylation of Styrenes for the Synthesis of Azaindolyl β-Alkoxyalkyl Selenoethers Rajib Bera, Arup Bairagi, Arunava Sengupta, Sachchida N. Pandey, Rintu Sk, Somnath Yadav Organic Letters, 2025 Due to the medicinal importance of selenoether and azaindole cores, the design and execution of efficient routes to new compounds bearing these groups placed in juxtaposition with each other are important. Again, multicomponent reactions provide fast and efficient access to the compounds of interest. Herein, we present a one-step route to azaindolyl β-alkoxyalkyl selenoethers or azaindolyl β-hydroxyalkyl selenoethers via the one-step reaction of azaindoles, styrenes, a selenium source, and an alcohol or water using a Ce(IV) oxidant.
Revealing the importance of the C(1) position to modulate the photophysics and Z-scan responses of o-locked GFP chromophores Debasish Paul, Priyadarshi Sahoo, Amit Kumar Pradhan, Prasanta Kumar Datta, Arunava Sengupta, Umakanta Tripathy, Soumit Chatterjee Journal of Chemical Physics, 2025 Three novel ortho-locked (o-locked) green fluorescent protein (GFP) chromophores, which are also doubly locked, with a phenyl group at the C(1) of the imidazolinone ring and substituents with varying electronic effects at the C(9) of the benzylidene moiety, have been synthesized. All the chromophores show relatively weak but much red-shifted emissions compared to their methyl counterparts at C(1), as previously reported by us [D. Paul et al., J. Phys. Chem. B 129, 692–711 (2025)]. Quantum chemical calculations indicate that the excited state dynamics of the chromophores possess initial rotation of the phenyl, followed by proton transfer and geometry twisting. Fluorescence decays confirm an early time charge transfer from the benzylidene moiety to the electron-withdrawing substituents at C(9). The relaxation processes occur within a time range of hundreds of femtoseconds to a few picoseconds, subject to respective compounds. This study supports our earlier reported findings [D. Paul et al., J. Phys. Chem. B 129, 692–711 (2025)] that the electronic effect at C(9) significantly affects the quantum yields of o-locked GFP chromophore analogs. This study also shows that solvent viscosity and temperature play dominant roles in modulating the fluorescence intensities of o-locked GFP chromophores. Furthermore, these compounds display significantly superior nonlinear optical (NLO) properties than their methyl analogs [D. Paul et al., J. Phys. Chem. B 129, 692–711 (2025)]. These findings provide valuable insight regarding the correlation between the molecular structures of o-locked GFP chromophores and their spectroscopic nature and pave the way to structurally engineering improved fluorophores. In a nutshell, these chromophores with a phenyl group at C(1), with poor but highly red-shifted emission in solution, showing viscosity dependency on emission intensity, and high NLO properties, can be very useful in bio-imaging.
CuF2/DTBP-Catalyzed Chan-Lam Coupling of Oxazolidinones with Arylboronic Acid Pinacol Ester: Scope and Application Tanumay Roy, Krishanu Mondal, Pallabi Halder, Arunava Sengupta, Parthasarathi Das Journal of Organic Chemistry, 2025 A new combination of CuF2/DTBP-catalyzed N-arylation of oxazolidinones, amides, amines, and azoles has been explored with arylboronic acid pinacol esters (arylBpin). This methodology has also been applied to the synthesis of oxazolidinone-based marketed drugs, including Rivaroxaban, Linezolid, Sutezolid, and Toloxatone. Mechanistic investigations using various spectroscopic techniques and DFT studies revealed the role of DTBP/MeOH in the catalytic process.
Revealing the Role of Electronic Effect to Modulate the Photophysics and Z-Scan Responses of o-Locked GFP Chromophores Debasish Paul, Priyadarshi Sahoo, Arunava Sengupta, Umakanta Tripathy, Soumit Chatterjee Journal of Physical Chemistry B, 2025 Three novel core green fluorescent protein (GFP) chromophore analogues, based on a doubly locked conformation and variable electronic effects by replacing one hydrogen with bromine, iodine, and methyl, respectively, have been synthesized to modulate the push-pull effect. These chromophores exhibited intramolecular H-bonding, as evidenced by single-crystal X-ray and 1H NMR studies. The fluorescence quantum yields (ϕf) of all of the chromophores were found to be more than an order of magnitude higher (∼0.2) than the unlocked chromophores (∼0.01). It was found that the electronic effect did affect the nonradiative rates, as the quantum yields were found to vary with respect to different analogues in the same solvents. The effect of the push-pull effect was also evident by a higher Stokes-shifted emission in the case of the methyl derivative with respect to the bromo- and iodo-analogues. Furthermore, the emission spectra of these GFP chromophores were found to show positive solvatochromism, which was supported by a quantum chemical calculation. A detailed study, correlating the observed spectral changes with various solvent functions and supported by computational results, established a facile proton transfer, followed by twisted intramolecular charge transfer (TICT) to be the major nonradiative channels of these chromophores. Besides, a completely novel usage of these chromophores was explored for the first time by studying their third-order nonlinear optical characteristics in DMSO using a single-beam Z-scan technique. All of the chromophores exhibited tunable nonlinear refraction (NLR) and nonlinear absorption (NLA) properties that depend upon different substituent groups present in the chromophores. Here, the NLR was due to the effect of self-defocusing, whereas the NLA was triggered by reverse saturable absorption, which is attributed to the two-photon absorption (TPA) process. Surprisingly, the efficiency of the TPA ability of the chromophores was found to be a function of the induced electronic effect. Hence, this work opens a new route for the utility of the ortho-locked GFP chromophores in the field of nonlinear optical applications.
Bioactive metabolites of licorice and thyme as potential inhibitors of Cox1 enzyme of phytopathogens of Capsicum annuum L.: In-silico approaches Himanshu Arora, Gourav Choudhir, Arunava Sengupta, Abhishek Sharma, Satyawati Sharma Journal of Biomolecular Structure and Dynamics, 2025 Cytochrome c oxidase subunit 1 (Cox1), a key enzyme, has a crucial role in cellular respiration in eukaryotes and prokaryotes. Generally, respiratory inhibitors are considered one of the types of chemical pesticides. Thyme oil and licorice aqueous extract have been reported to have antifungal activities against fungal phytopathogens of Capsicum annuum L., i.e., Colletotrichum capsici, Fusarium oxysporum, and Pythium aphanidermatum. The present study focuses on identifying the key bioactive molecules of thyme and licorice botanicals inhibiting the activity of the Cox1 enzymes of the above mentioned phytopathogens, employing the in-silico approach. From a wide range of bioactive molecules screened, the molecular docking indicated trans-carveol, carvacrol, kaempferol 3-rhamnoside 7-xyloside, kaempferitrin, and astragalin 7-rhamnoside as the potential inhibitors for Cox1 of C. capsici, β-Caryophyllene, Caryophyllene acetate, hispaglabridin A, kaempferol 3-rhamnoside 7-xyloside and licorice glycoside A for Cox1 of F. oxysporum and (+)-Longifolen, Caryophyllene acetate, Hispaglabridin A, Neoliquiritin 2''-apioside and Licorice-saponin A3 for Cox1 of P. aphanidermatum. Most of the top-scoring bioactive molecules exhibited higher binding affinity with the targets than the chemical compound, i.e., carbendazim. Density functional theory (DFT) analysis confirmed the reactivity of the top-docked compounds. Molecular dynamic simulations confirmed the stability of docked complexes when evaluated through multiple descriptors. Additionally, MM/PBSA analysis supported the findings, indicating the spontaneous binding of the enzymes to the screened ligands. ADMET analysis revealed the safety of the selected bioactive compounds. The present findings could be useful in developing biopesticidal formulations as efficient and sustainable alternatives to chemical pesticides.Communicated by Ramaswamy H. Sarma.
Palladium(II) complexes of a redox-active o-aminophenolate-based ONSN ligand. Proof-of-concept of hemilability in reactivity with PPh3 providing ONNP and ONSP coordination Journal of the Indian Chemical Society, 2015
RECENT SCHOLAR PUBLICATIONS
Cascade C─ H‐Alkenylation‐Intramolecular Aminative Cyclization of Benzylsulfonamides for Synthesis of Isoindoline Cores A Bairagi, A Sengupta, S Ali, A Paul, S Yadav Asian Journal of Organic Chemistry 14 (8), e00379 , 2025 2025
Asymmetric Ring-Opening Transformation of Racemic Aziridines: Enantioselective Route to Benzodiazepines AK Sharma, S Yadav, A Sengupta, N Rahman, MK Ghorai The Journal of Organic Chemistry, https://doi.org/10.1021/acs.joc.5c01013 , 2025 2025 Citations: 4
Four-Component Selenoazaindolylation-Alkoxylation of Styrenes for the Synthesis of Azaindolyl β-Alkoxyalkyl Selenoethers R Bera, A Bairagi, A Sengupta, SN Pandey, R Sk, S Yadav Organic Letters 27 (28), 7956-7861 , 2025 2025
Revealing the importance of the C(1) position to modulate the photophysics and Z-scan responses of o-locked GFP chromophores D Paul, P Sahoo, AK Pradhan, PK Datta, A Sengupta*, U Tripathy*, ... Journal of Chemical Physics 162 (23), 234308 , 2025 2025 Citations: 8
CuF 2 /DTBP-Catalyzed Chan-Lam Coupling of Oxazolidinones with Arylboronic Acid Pinacol Ester: Scope and Application T Roy, K Mondal, P Halder, A Sengupta, P Das The Journal of Organic Chemistry 90 (18), 6219-6232 , 2025 2025 Citations: 7
Site selective Heck arylation of N-vinyl-7-azaindole engineered by N-oxide activation: scope and mechanistic studies S Patra, A Sengupta, P Das Organic Chemistry Frontiers 12 (20), 5379-5386 , 2025 2025
Revealing the Role of Electronic Effect to Modulate the Photophysics and Z-Scan Responses of o-Locked GFP Chromophores D Paul, P Sahoo, A Sengupta*, U Tripathy*, S Chatterjee* The Journal of Physical Chemistry B 129 (2), 692-711 , 2025 2025 Citations: 11
A sugar-derived ligand for room temperature aerial oxidation or non-aqueous Markovnikov hydration of styrenes via a preformed or in situ generated Co complex A Sengupta, SN Pandey, R Bera, S Ali, S Yadav* Catalysis Science & Technology 14 (16), 4487-4495 , 2024 2024 Citations: 3
Ni (ii) and Pd (ii) complexes of a new redox-active pentadentate azo-appended 2-aminophenol ligand: Pd (ii)-assisted intraligand cyclization forms a phenoxazinyl ring S Bhowmik, A Sengupta, R Mukherjee* Dalton Transactions 53 (33), 14046-14064 , 2024 2024 Citations: 4
Understanding the gelation properties of the fluorophenyl glycosides of arabinoside gelators: experimental and theoretical studies SN Pandey, NP Pathak, A Sengupta*, S Yadav* Soft Matter 20 (36), 7111-7121 , 2024 2024 Citations: 3
Phenoxazinyl Zn (ii) diradical complex formed via redox-driven cyclization of a 2-aminophenol-based N 3 O ligand. Isolation of the modified N 3 ligand radical and its Ni (ii … N Mukhopadhyay, A Sengupta, F Lloret, R Mukherjee* Dalton Transactions 53 (15), 6515-6519 , 2024 2024 Citations: 8
Bioactive metabolites of licorice and thyme as potential inhibitors of Cox1 enzyme of phytopathogens of Capsicum annuum L.: In-silico approaches H Arora, G Choudhir, A Sengupta, A Sharma, S Sharma Journal of Biomolecular Structure and Dynamics 43 (9), 4534-4551 , 2024 2024 Citations: 6
Acetoxy Group-Directed Regioselective C2 Alkenylation of Indoles via Pd–Ag Bimetallic Catalysis A Sengupta, A Paul, B Sarkar, S Yadav* The Journal of Organic Chemistry 88 (20), 14423-14434 , 2023 2023 Citations: 12
Organophotoredox-Catalyzed Cross-Dehydrogenative Sulfonamidation of Indoles and Other Heterocycles A Paul, A Sengupta, S Yadav* The Journal of Organic Chemistry 88 (14), 9599-9614 , 2023 2023 Citations: 14
CuF2/MeOH-Catalyzed N3-Selective Chan-Lam Coupling of Hydantoins: Method and Mechanistic Insight T Roy, K Mondal, A Sengupta, P Das* The Journal of Organic Chemistry 88 (9), 6058-6070 , 2023 2023 Citations: 19
Exploiting Coordination Behavior of 7‐Azaindole for Mechanistic Investigation of Chan‐Lam Coupling and Application to 7‐Azaindole Based Pharmacophores K Mondal, N Mukhopadhyay, A Sengupta, T Roy, P Das* Chemistry–A European Journal 29 (16), e202203718 , 2023 2023 Citations: 20
Visible-Light Driven Acetoxylation and Dioxygenation of Indoles via Electron Donor-Acceptor Complexes A Paul, A Sengupta, S Yadav* Chemical Communications 59 (48), 7455-7458 , 2023 2023 Citations: 17
Stereoselective Routes to Hexahydropyrroloindoles and Tetrahydropyrroloquinolines from Activated Aziridines and Electron Deficient 3 H-Indoles IA Wani, S Sk, A Mal, A Sengupta, MK Ghorai* Organic Letters 24 (43), 7867-7872 , 2022 2022 Citations: 20
Controlled C–H bond activation leads to orthometalation and ring-hydroxylation in Ni (II) and Pd (II) complexes of a common tridentate azophenyl-salicylaldimine ligand A Ali, S Bhowmik, A Sengupta, N Mukhopadhyay, R Mukherjee* Inorganica Chimica Acta 538, 120960 , 2022 2022 Citations: 3
Ni (ii) complexes of a new tetradentate NN′ N′′ O picolinoyl-1, 2-phenylenediamide-phenolate redox-active ligand at different redox levels N Mukhopadhyay, A Sengupta, AK Vijay, F Lloret, R Mukherjee* Dalton Transactions 51 (23), 9017-9029 , 2022 2022 Citations: 11
MOST CITED SCHOLAR PUBLICATIONS
Bimolecular photoinduced electron transfer in static quenching regime: illustration of Marcus inversion in micelle P Mukherjee, A Das, A Sengupta, P Sen* The Journal of Physical Chemistry B 121 (7), 1610-1622 , 2017 2017 Citations: 29
UV to NIR multistate electrochromism and electrofluorochromism in dibenzophenazine-arylamine derivatives B Sk, M Sarkar, K Singh, A Sengupta, A Patra* Chemical Communications 57 (99), 13590-13593 , 2021 2021 Citations: 21
Copper (II) dimers stabilized by bis (phenol) amine ligands: theoretical and experimental insights A Rajput*, A Kumar, A Sengupta, P Tyagi, H Arora* New Journal of Chemistry 42 (15), 12621-12631 , 2018 2018 Citations: 21
Exploiting Coordination Behavior of 7‐Azaindole for Mechanistic Investigation of Chan‐Lam Coupling and Application to 7‐Azaindole Based Pharmacophores K Mondal, N Mukhopadhyay, A Sengupta, T Roy, P Das* Chemistry–A European Journal 29 (16), e202203718 , 2023 2023 Citations: 20
Stereoselective Routes to Hexahydropyrroloindoles and Tetrahydropyrroloquinolines from Activated Aziridines and Electron Deficient 3 H-Indoles IA Wani, S Sk, A Mal, A Sengupta, MK Ghorai* Organic Letters 24 (43), 7867-7872 , 2022 2022 Citations: 20
CuF2/MeOH-Catalyzed N3-Selective Chan-Lam Coupling of Hydantoins: Method and Mechanistic Insight T Roy, K Mondal, A Sengupta, P Das* The Journal of Organic Chemistry 88 (9), 6058-6070 , 2023 2023 Citations: 19
Visible-Light Driven Acetoxylation and Dioxygenation of Indoles via Electron Donor-Acceptor Complexes A Paul, A Sengupta, S Yadav* Chemical Communications 59 (48), 7455-7458 , 2023 2023 Citations: 17
Dimeric Mn (II), Co (II), Ni (II) and Cu (II) complexes of a common carboxylate-appended (2-pyridyl) alkylamine ligand: structure, magnetism and DFT study M Manda, H Arora, A Sengupta, S Kant, F Lloret, R Mukherjee* New Journal of Chemistry 45 (35), 16019-16029 , 2021 2021 Citations: 16
Memory of chirality concept in asymmetric intermolecular michael addition of α-amino ester enolates to enones and nitroalkenes V Veeraswamy, G Goswami, S Mukherjee, K Ghosh, ML Saha, ... The Journal of organic chemistry 83 (3), 1106-1115 , 2018 2018 Citations: 15
Organophotoredox-Catalyzed Cross-Dehydrogenative Sulfonamidation of Indoles and Other Heterocycles A Paul, A Sengupta, S Yadav* The Journal of Organic Chemistry 88 (14), 9599-9614 , 2023 2023 Citations: 14
Low-spin [M II (L) 2] and [M III (L) 2]+(M= Fe and Co) complexes of tridentate azo-containing pyridine/pyrazine amide ligands: structures, properties and redox potential … A Sengupta, A Rajput, SK Barman, R Mukherjee* Dalton Transactions 46 (34), 11291-11305 , 2017 2017 Citations: 14
Acetoxy Group-Directed Regioselective C2 Alkenylation of Indoles via Pd–Ag Bimetallic Catalysis A Sengupta, A Paul, B Sarkar, S Yadav* The Journal of Organic Chemistry 88 (20), 14423-14434 , 2023 2023 Citations: 12
Structure, magnetism and reactivity of a {MnIII(μ–O)2MnIV}3+ core towards oxidation of phenols A Kumar, A Sengupta, S Demeshko, R Mukherjee* Polyhedron 172, 226-235 , 2019 2019 Citations: 12
Revealing the Role of Electronic Effect to Modulate the Photophysics and Z-Scan Responses of o-Locked GFP Chromophores D Paul, P Sahoo, A Sengupta*, U Tripathy*, S Chatterjee* The Journal of Physical Chemistry B 129 (2), 692-711 , 2025 2025 Citations: 11
Ni (ii) complexes of a new tetradentate NN′ N′′ O picolinoyl-1, 2-phenylenediamide-phenolate redox-active ligand at different redox levels N Mukhopadhyay, A Sengupta, AK Vijay, F Lloret, R Mukherjee* Dalton Transactions 51 (23), 9017-9029 , 2022 2022 Citations: 11
Switchover from Ni II N 2 O 2 to Ni II N 2 O 2 S 2 coordination triggered by the redox behaviour of a non-innocent 2-aminophenolate ligand A Ali, A Sengupta, F Lloret, R Mukherjee* Journal of Chemical Sciences 133, 1-14 , 2021 2021 Citations: 11
Palladium(II) complexes of a redox-active o-aminophenolate-based ONSN ligand. Proof-of-concept of hemilability in reactivity with PPh3 providing ONNP and ONSP coordination A Ali, A Sengupta, R Mukherjee* Journal of Indian Chemical Society 92, 1981-1991 , 2015 2015 Citations: 10
Chemical Fixation of Atmospheric CO2 by Copper (II) Complexes of a Tridentate N‐donor Ligand A De, A Sengupta, F Lloret, R Mukherjee* Zeitschrift für anorganische und allgemeine Chemie 644 (14), 801-811 , 2018 2018 Citations: 9
Revealing the importance of the C(1) position to modulate the photophysics and Z-scan responses of o-locked GFP chromophores D Paul, P Sahoo, AK Pradhan, PK Datta, A Sengupta*, U Tripathy*, ... Journal of Chemical Physics 162 (23), 234308 , 2025 2025 Citations: 8
Phenoxazinyl Zn (ii) diradical complex formed via redox-driven cyclization of a 2-aminophenol-based N 3 O ligand. Isolation of the modified N 3 ligand radical and its Ni (ii … N Mukhopadhyay, A Sengupta, F Lloret, R Mukherjee* Dalton Transactions 53 (15), 6515-6519 , 2024 2024 Citations: 8