Research Publications

2025
  • Pati, R, S.; Islam, A.; Rai, Raj. K. A.; Karri, Ramesh.; Kamsala, R.; Pal, M.; G. Roy.Conformationally Locked Noncovalent Networks Enhance Methylation Efficiency in Functional Models of As(III) SAM Methyltransferase. Inorganic Chemistry, 2025. (Accepted).
  • Islam, A.; Rai, R. K.; Pati, R, S.; Yuvanthika, M.; G. Roy. ​Thiazole and Benzothiazole-based Organoselenium Compounds as Dual-Action Agents: Tyrosinase Inhibitors and Functional Mimics of Glutathione Peroxidase. Inorganic Chemistry, 2025. (Accepted).
  • Rai, R. K.; Islam, A.; Pati, R, S.; G. Roy."Facile Cleavage of Peroxide Bond via Dual Attack by Functional Mimics of Glutathione Peroxidase", Chem. Eur. J, 2025, 31, e202403483.
  • Annette M. Tedy and A. K. Manna, Redox Activity of Electronically Excited Phosphorus‐Corroles with Axial Chalcogenation", ChemPlusChem, 2025, e202500137.
  • Akash M Purohit, Rishi I Patel, Vidhi Bhatt, Elias Mosaffa, Biswajit Bhattacharya, A. K. Manna, Bragadish Iyer, Franziska Emmerling, Atanu Banerjee, "Solvent Induced Ligand Transmuted Substituted Pyrazole Housed Copper Complexes: Synthesis, Characterization, DFT and Anti-Microbial Performance", J. Mol. Struc. 2025, 1345, 143001.
  • Pal, S. C., Behera, J., Zhang, T.-F., Ahmed, R., Wang, J.-X., Pal, A., A. K. Manna, Lib, B., & Das, M. C. A 2D Microporous ‘Flexible-Robust’ MOF for Efficient Natural Gas Purification with C2s/CH4 and CO2/CH4 separations. Chem. Egg. 2025, J. 511, 162121.
  • Mukherjee, S. C. Pal, Y. Oruganti, B. G. Lee, A. K. Manna,  D.-W. Lim*, and M. C. Das*"Intermediate Temperature Superprotonic Conductivity beyond 10–2 S cm–1 with Low Proton Transfer Energy Barrier in a MOF",  ACS Energy Lett. 2025, 10, 1216-1228. 
  • Sahoo, A. M. Tedy, A. K. Manna, and M. C. Das*, "A Water-Stable Hydrogen-Bonded Organic Framework (HOF) for Selective Sensing of Antibiotics in Aqueous Medium", Chem. Eur. J.  2025,  e202404756.
  • M. Tedy and A. K. Manna, "Theoretical Understanding of Photoluminescence and Singlet Oxygen Quantum Yields in a Few Halogenated Fluorescein Dyes", Chem. An Asian J.  2025, e202401065.
  • Yadav, N., Deori, U., A. K. Manna, & Rajamalli, P. (2025). Regulating Spatial Configuration in Donor-π-Acceptor for Through-Space Exciton Transfer: Concentration-Independent Emitter for OLEDs. Adv. Optical. Mater.  2025, 13, 2402820.
  • Rafeek and D. Mondal, Achievable Information-Energy Exchange in a Brownian Information Engine through Potential Profiling. J. Phys. Chem. B, 2025, 129, 11, 2971–2977.
  • Rafeek and D. Mondal, Performance of a Brownian information engine through potential profiling: Optimum output requisites, Heating-to-Refrigeration transition and their Re-entrance. J. Chem. Phys. 2025, 162, 244113.
  • Rafeek and D. Mondal, Global optimization of the control strategy of a Brownian information Engine: Efficient information-energy exchange in a generalised potential energy surface. J. Phys. Chem. A, 2025 (Accepted).
  • Mantry, L.; P. Gandeepan. "Photoinduced PhI(OAc)2-Mediated Cross-Dehydrogenative Heteroarylation of Aldehydes". J. Org. Chem. 2025, 90 (20), 6897–6902.
  • Kumar, V.,; Sudharsan, S.; Mantry, L.; Maayuru, R.; Das, M.; P. Gandeepan. "Transition Metal-Catalyzed Direct Functionalization of Carbazoles". Chem. Rec. 2025, 25 (7), e202500042.
  • Kongki Gogoi and Sourav Chakraborty*Impact on Redox Characteristics of Rotaxane via Structural Modifications. Chemistry Select, 2025, 10, e202501216.
  • Snehasish Senapati, Ananth Kumar Ballari, and  Venkaiah Chintalapudi A Short Synthesis of the Long-Tailed Mealybug Pheromone in both Racemic and Enantiopure Forms Org. Chem. 2025, 90, 4771–4775.
  • Ananth Kumar Ballari, Snehasish Senapati, Sandesh D. P., Ramsingh Dhanbahadur Padmaja, and Venkaiah Chintalapudi Cyclopentannulation Approach to Functionalized Diquinanes and Angularquinanes: Concise Total Synthesis of Chondrosterins I and J. Org. Chem. 2025, (Accepted).
  • Swapan Shil, Bishnu Pada Patra, Tania Begam and Srikrishna Bera C(sp3)–N Coupling of Nonactivated Alkyl Boronic Pinacol Esters by the Merger of Amino Radical Transfer and Copper Catalysis. Am. Chem. Soc. 2025, (accepted).
  • Pareek, S.; Mandadi, P.; Sanapala, S. R. Glycosyl Esters as Stable Donors in Chemical Glycosylation. J. Org. Chem. 2025, 28, e202401330.
  • Kirankumar S Gosavi , Aniket Patil , Gopal Wagh , Gunvant H Sonawane , Abhishek Panigrahi , Deepak ,K Pal. Rationally Designed Maleimide Dyes for Large Stokes Shifted Solvatochromism and Aggregation-Induced Emission Fluoresc. 2025, 1-10.
  • S Kundu, K Pal, A Pyne, X Wang. Force-bearing phagocytic adhesion rings mediate the phagocytosis of surface-bound particles. Commun. 2025, 16 (1), 984.
  • K Pal, Unravelling molecular mechanobiology using DNA-based fluorogenic tension sensors. Mater. Chem. 2025, B 13 (1), 37-53.
2024
  • Rai, R. K., Chalana, A., Karri, R., Pati, R. S., Sarathy, V. P., & G. Roy. Synthesis, structures and DFT study of copper coordination with bis- benzimidazole based thiones and selones: Scope for nonstoichiometric Cu2- xSe nanoparticles. Inorg. Chim. Acta. 2024, 562, 121880.
  • Das, R., Karri, R., Chalana, A., & G. Roy. Uncovering the Role of Methylmercury on DNA Lesions at Cytotoxic Concentrations in Glutathione-depleted Cells: Insights from Experimental and Computational Studies”, Inorg. Chem. 2024, 63, 10455-10465. This article also highlighted in the “FRONT COVER PAGE” of the journal.
  • ​Regulating Spatial Configuration in Donor-π-Acceptor for Through-Space Exciton Transfer: Concentration-Independent Emitter for OLEDs", N. Yadav, U. Deori, A. K. Manna, and P. Rajamalli", Adv. Optical. Mater. 2024, 2402820.
  • Tedy, A. M., & A. K. Manna, Tailoring Intersystem Crossing in Phosphorus-Corrole through Axial Chalcogenation: A Detailed Theoretical Study. Phys. Chem. Chem. Phys. 2024, 26, 27466-27477.
  • Pramanik, B., Sahoo, R., Yoshida, Y., A. K. Manna, Kitagawa, H., & Das, M. C. (2024). Proton Conduction via Water and Ammonia Coordinated Metal Cationic Species in MOF and MHOF Platforms. Chem. Eur. J. 2024, 30, e202402896.
  • Sahoo, R., Ahmed, R., A. K. Manna, & Das, M. C. (2024). Natural Product Synthesis by a Nanoporous In-MOF Catalyst: Crystallographic Insight by Incorporating Substrate Inside its Nanopores. J. Catal. 2024, 437, 115641.
  • Ahmed, R. , & A. K. Manna, Tailoring Light-Harvesting in Zn-Porphyrin and Carbon Fullerene Based Donor-Acceptor Complex through Ethynyl-Extended Donor π-Conjugation. ChemPhysChem. 2024, 25, e202400434.
  • Mondal, S., Tedy, A. M., Chand, S., Sahoo, R., A. K. Manna, & Das, M.C.Mechanistical Insights into the Ultra-Sensitive Detection of Radioactive and Chemotoxic UO2(2+) Ions by a Porous Anionic Co-Metal–Organic Framework. Inorg. Chem. 2024, 63, 10403-10413.
  • Pal, S. C., Mukherjee, D., Oruganti, Y., Lee, B. G., Lim, D.-W., Pramanik, B., A. K. Manna, & M. C. Das Room Temperature Superprotonic Conductivity beyond 0.1 S/cm in a Co(II) Coordination Polymer. J. Am. Chem. Soc. 2024, 146, 14546-14557.
  • A. K. Manna, Thiocarbonyl-Bridged N-Heterotriangulenes for Energy Efficient Triplet Photosensitization: A Theoretical Perspective. ChemPhysChem. 2024, 25, e202400371.
  • Boya, K., Nam, K., Kargeti, K., Ershadrad, S., Kumar, R., Panda, S. K., Sanyal, B., A. K. Manna, Paulose, P. L., Kim, K. H., & B. Koteswararao Possible candidate for the realization of the floating phase in the S= frustrated spin-chain model: K3Fe(MoO4)2(Mo2O7). Phys. Rev. B. 2024, 109, 155130.
  • Tedy, A. M., & A. K. Manna, Nature and Energetics of Low-lying Excited Singlets/Triplets and Intersystem Crossing Rates in Selone Analogues of Perylenediimide: A Theoretical Perspective. J. Chem. Phys. 2024, 160, 114306.
  • Rafeek, R., & D. Mondal, Active Brownian information engine: Self-propulsion induced colossal performance. J. Chem. Phys. 2024, 161 (12), 124116.
  • Das, J., Biswas, M., D. Mondal, & Bag. B. C. Non-markovian dynamics-induced fictitious electric field in the presence of a time-independent magnetic field. The Euro. Phys. J. B, 2024, 97 (2), 16.
  • Ali, S. Y., Bauri, P., & D. Mondal, Optimizing work extraction in the presence of an entropic potential: An entropic stochastic resonance. J. Phys. Chem. B. 2024, 128 (16), 3824-3832.
  • Adhikary, P & Biswas, R.  Why does urea not alter the vibrational spectroscopic signatures of water?, Phys. 2024, Impact 8,100609.
  • Sakpal, S., Chakrabarty, S., Reddy, K. D., Deshmukh, S., Biswas, R. Bagchi, S., & Ghosh, A. Perturbation of Fermi Resonance on Hydrogen-Bonded >C=O: A 2D IR Studies of Small Ester Probes, Phys. Chem. B. 2024, 128 (18), 4440–4447.
  • Joy, A., & Biswas, R. Significance of Disulfide Bridge in the Structure and Stability of Metalloprotein Azurin, Phys. Chem. B. 2024, 128 (4) 973–984.
  • Mantry, L., & P. Gandeepan. Visible Light-Induced PhI(OAc)2-Mediated Alkylation of Het-eroarenes with Simple Alkanes and Ethers. J. Org. Chem. 2024, 89, 6539–6544.
  • Dharaniyedath, J., Kumar, V., & P. Gandeepan. Palladium-Catalyzed Direct Alkynylation of Carbazoles with Alkynyl Bromides. Eur. J. Org. Chem. 2024, 27, e202400649.
  • Kumar, V., & P. Gandeepan. Synthesis of 3-Methyleneisoindolin-1-ones via Rhodium(III)-Catalyzed C‒H/N‒H Activation and Annulation of N-Methoxybenzamides with Potassium Vinyltrifluoroborate. Chem. Asian J. 2024, 19, e202400718.
  • Mantry, L., & P. Gandeepan. Photochemical Direct Alkylation of Heteroarenes with Alkanes, Alcohols, Amides, and Ethers. Org. Biomol. Chem. 2024, 22, 7643-7648.
  • Maayuri, R., & P. Gandeepan. Ruthenium-catalyzed electrochemical C–H activation for organic synthesis. Electrochemistry, 2024, 18, 219–244.
  • Kumar, V.; P. Gandeepan. "Copper-based Nanomaterials in Coupling Reactions", in Copper-based Nanomaterials in Organic Transformations, (Ed.: Dr. A. Srivastava), ACS, 2024.
  • Venkaiah Chintalapudi Wilson, C., & Clark, J. S. Synthesis of the I–K fused polyether array of CTX3C and related ciguatoxins by use of a gold-catalyzed cyclization reaction. Lett. 2024,  26 (4), 775-780.
  • Yempally, S., Nassar, A. M., Naga Lakshmi, C., Singh, N., Sanapala, S. R.  Al-Ejji, M., Zaidi, S. A., & Ponnamma, D. J. Enhanced photo-electro catalytic CO2 conversion using transition metal doped TiO2 nanoparticles. Photochem. Photobiol. A. 2024, 456, 115792.
2023
  • Ahmed, R., & A. K. Manna, Understanding remarkably high triplet quantum yield in Thione analogues of Perylenedi-imide: A detailed theoretical study. Chem. Phys. 2023, 158, 214304.
  • Ahmed, R., & A. K. Manna, Electronic structures and charge mobilities of several regio-isomeric B2N2- substituted Perylenedi-imides. J. Phys. Chem.A. 2023,  127, 2742-2750.
  • Debnath, P., Ahmed, R., & A. K. Manna, Molecular-scale design of azulene based triplet photosensitizers: Insights from time-dependent optimally tuned range-separated hybrid. J. Phys. Chem. B. 2023, 127, 10016-10024.
  • Tedy, A. M., & A. K. Manna, Does the intersystem crossing rate of β-iodinated phosphorus-corrole depend on iodine numbers and/ or positions. J. Phys. Chem. A. 2023, 127, 10118-10127.
  • Tedy, A. M., Ahmed, R., & A. K. Manna, Assessing intersystem crossing rates in donor and/Acceptor functionalized corroles: A computational study. J. Phys. Chem. A. 2023, 127, 3347-3355.
  • Ahmed, R., & A. K. Manna, Understanding pH tailored photophysical properties of a π-conjugated aryl hydrazone-derived dye for sensing application. J. Chem. Sci. 2023, 135, 9.
  • Sahoo, R., Mondal, K., S., Das, C., A. K. Manna, & Das, M. C. A water-stable cationic SIFSIX MOF for luminescent probing of Cr2O72- via single-crystal to single-crystal transformation. Small. 2023,  2304581.
  • Rafeek, R., Ali, S.Y., & D. Mondal, Geometric Brownian information engine: Essentials for the best performance. Physical Review E. 2023, 107 (4), 107, 044122,
  • H. Nanjegowda, K. P. Biligiri, M. Jagadeesh, and D. Mondal,   Development of Organoclay Suitable for Applications in Recycled Rubber–Based Asphalt Binders: Montmorillonite Tailored with Quaternary Ammonium Salt, J. Mater. Civ. Eng. 2023, 35, 04022390.
  • Biswas, A., Pal, A., D. Mondal, and Ray, S. Rate enhancement of gated drift-diffusion process by optimal resetting. J. Chem. Phys. 2023, 159 (5), 054111.
  • Reddy, K. D., & Biswas, R. Theoretical spectroscopy aided validation of hydration structure of trimethylamine N-oxide (TMAO). Phys. Chem. B. 2023, 127 (12), 2774-2783.
  • Reddy, K. D., & Biswas, R. Hydrophobic Hydration: A Theoretical Investigation of Structure and Dynamics. Chem. Sci. 2023,  135, 5.
  • Joy, & Biswas, R. Role of Metal Cofactor in Enhanced Thermal Stability of Azurin. J. Phys. Chem. B. 2023, 127 (20), 4374-4385.
  • D. Reddy, and Biswas, R.“Hydrophobic Hydration: A Theoretical Investigation of Structure and Dynamics.” J.Chem. Sci. 2023, vol. 135, no. 5, pp. 1-8,
  • D. Reddy, and Biswas, R. “Theoretical Spectroscopy Aided Validation of Hydration Structure of Trimethylamine N-oxide (TMAO).” J. Phys. Chem. B. 2023, vol. 127, no. 12, pp. 2774-2783,
  • Deori U., E. Ravindran, G. P. Nanda, S. G. Ramanath, U. Acharya, P. Gandeepan. & P. Rajamalli. Design Strategy for Enabling Multifunctional Properties of Anthracene Based Emitters. Chem. Asian J. 2023, 18 (14), e202300352.
  • Kumar, V., & P. Gandeepan. Green synthesis of 3,4-unsubstituted isoquinolones via Rhodium (III)- catalyzed CH ativation and annulation in biomassderived ethanol. Eur. J. Org. Chem. 2023, 26 (21), e202300914.
  • Kumar, V., Maayuri, R., Medhi, K., & P. Gandeepan. Rhodium (III)-catalyzed C-H/N-H activation for direct synthesis of pyrimidoindolones under mild conditions. Chem. Asian J. 2023, 18 (19), e202300675.
  • Kumar, R. Maayuri, L. Mantry and P. Gandeepan. " Recent Advances in Rhodiu m-Catalyzed Electrochemical C?H Activation." Chem. Asian J. 2023, vol. 19, no. 9, pp. e202300060.
  • Kumar, V.; Maayuri, R.; Mantry, L.; P. Gandeepan. "Transition Metal-Catalyzed C‒H Functionalization of Indole Benzenoid Ring", in Transition-Metal-Catalyzed C‒H Functionalization of Heterocycles, (Eds.: T. Punniyamurthy & A. Kumar), Wiley-VCH GmbH, 2023, Vol. 1, page page no. 155-192.
  • Maayuri, R:, P. Gandeepan. "Manganese-catalyzed hydroarylation of multiple bonds." Org. Biomol. Chem., 2023, 21, 441-464. DOI: 10.1039/D2OB01674E.
  • Aniruddha Sarkar, Soumadip Das, Prasenjit Mondal, Biswajit Maiti, Sayam Sen Gupta Synthesis, Characterization, and Reactivity of High-Valent Carbene Dicarboxamide-Based Nickel Pincer Complexes. Inorg. Chem.  2023, 62 (49), 20439-20449.
2022
  • Chalana, R. K. Rai, R. Karri, K. K. Jha, B. Kumar and G. Roy. “Interplay of the intermolecular and intramolecular interactions in stabilizing the thione-based copper(I) complexes and their significance in protecting the biomolecules against metal-mediated oxidative damage,” Polyhedron. 2022, vol. 215, pp. 115647.
  • K. Rai, R. Karri, K. D. Dubey, and G. Roy. “Regulation of Mushroom Tyrosinase Activity by Glutathione Peroxidase Mimics.” J. Agric. Food Chem. 2022, vol. 70, no. 31, pp. 9730–9747.
  • K. Rai, R. S. Pati, A. Islam and G. Roy. “Detoxification of organomercurials by thiones and selones: A short review.” Inorg. Chim. Acta. 2022,  vol. 538, pp. 120980 - 120996.
  • Ahmed, and A. K. Manna. “Origins of Molecular-Twist Triggered Intersystem Crossing in Functional Perylenediimides: Singlet-Triplet Gap vs Spin-Orbit Coupling.”  J. Phys. Chem. A. 2022, vol. 126, no. 38, pp. 6594-6603.
  • Ahmed, and A. K. Manna. “Tailoring Intersystem Crossing of Perylenediimide Through Chalcogen- Substitution at Bay-Position: A Theoretical Perspective.” J. Chem. Phys. 2022, vol. 157, no. 21, pp. 214301.
  • Ahmed, and A. K. Manna. “Understanding High Fluorescence Quantum Yield and Simultaneous Large Stokes Shift in Phenyl Bridged Donor--Acceptor Dyads with varied Bridge Length in Polar Solvent.” J. Phys. Chem. A. 2022,  vol. 126, no. 26, pp. 4221-4229.
  • C. Pal, R. Ahmed, A. K. Manna, and M. C. Das. “Potential of a pH-Stable Microporous MOF for C2H2/C2H4 and C2H2/CO2 Gas Separations under Ambient Conditions.” Inorganic Chemistry. 2022, vol. 61, no. 45, pp. 18293-18302.
  • Ahmed, and A. K. Manna. “Energy-Level Alignment of Zn-Phthalocyanine Physisorbed Graphitic-Carbon Nitride: Effects of Corrugation.” J. Phys. Chem. C. 2022,  vol. 126, no. 43, pp. 18208-18215.
  • Ahmed, and A. K. Manna. “Origins of Large Stokes Shifts in a Pyrene-Styrene based Push-Pull Organic Molecular Dyad in Polar Solvents and Large Electron Mobility in the Crystalline-State: A Theoretical Perspective.” J. Phys. Chem. C. 2022, vol. 126, no. 01, pp. 423-433.
  • Mizrahi, S. Bhowmik, A. K. Manna, W. Sinha, A. Kumar, M. Saphier, A. Mahammed, M. Patra, N. Fridman, I. Zilbermann, L. Kronik, and Z. Gross. “Electronic Coupling and Electrocatalysis in Redox Active Fused Iron Corrole.” Inorganic Chemistry. 2022, vol. 61, no. 51, pp. 20725-20733.
  • Y. Ali, R. Rafeek and D. Mondal, “Geometric Brownian information engine: Upper bound of the achievable work under feedback control.” J. Chem. Phys. 2022,  vol. 156, no. 1, pp. 014902.
  • Y. Ali, N. Choudhury and D. Mondal, Asymmetric restart in a stochastic climate model: A theoretical perspective to prevent the abnormal precipitation accumulation caused by global warming, J. Phys. A: Math. Theor. 2022 55, 301001.
  • Joy and Biswas, R. “Molecular Insight into the High Thermal Stability of Metalloprotein Azurin.” J. Phys. Chem. B. 2022, vol. 126, no. 13, pp. 2496-2506.
  • Maayuri and P. Gandeepan. “Manganese-Catalyzed Hydroarylation of Multiple Bonds.” Organic & Biomolecular Chemistry. 2022, vol. 21, no. 3, pp. 441-464.
  • Kumar, V.; Mantry, L.; Maayuri, R.; P. Gandeepan. "Photoinduced Copper-Catalyzed C––H Functionalization", in Handbook of CH-Functionalization (Ed.: D. Maiti), Wiley-VCH GmbH, 2022.
  • Srikrishna Bera Fan and X. Hu. “ Enantio- and Diastereoselective Construction of Vicinal C(sp3) Centres via Nickel-Catalysed Hydroalkylation of Alkenes.” Nature Catalysis. 2022, vol. 5, pp. 1180–1187.
  • Naini, M. P. Bartetzko, Sanapala, S. R. F. Broecker, V. Wirtz, M. P. Lisboa, S. G. Parameswarappa, D. Knopp, J. Przygodda, M. Hakelberg, R. Pan, A. Patel, L. Chorro, A. Illenberger, C. Ponce, S. Kodali, J. Lypowy, A. S. Anderson, R. G. K. Donald, A. von Bonin and C. L. Pereira. “Semi-Synthetic Glycoconjugate Vaccine Candidate against Escherichia coli O25B Induce functional Antibodies in Mice.” JACS Au. 2022,  vol. 2, no. 9, pp. 2135-2151.
  • Nag and C. P. Rao. “Calixarene-mediated host–guest interactions leading to supramolecular assemblies: visualization by microscopy.” Chemical Communications. 2022, vol. 58, pp. 6044-6063.
  • Polepalli and C. P. Rao. “Enhanced DNA nuclease activity of Momordica charantia lectin by biomimetic mineralization as hybrid copper phosphate nanoflowers and as zeolitic imidazole frameworks.” Int. J. Biol. Macromol.". 2022, vol. 222, pp. 1925-1935.
  • Uttam, S. Polepalli, S. Sinha, A. Majumder, and C. P. Rao. “Selective Sensing and Removal of Mercury Ions by Encapsulating Dansyl Appended Calix[4]Conjugate in a Zeolitic Imidazolate Framework as an Organic– Inorganic Hybrid Nanomaterial.” ACS Applied Nano Materials. 2022,  vol. 5, pp. 11371-11380.
  • Polepalli& C. P. Rao. “Development of Hybrid DNA-Copper Phosphate Nanoflowers as Peroxidase Enzyme Mimics and for Colorimetric Sensing of Phenol.” Inorganica Chimica Acta. 2022, vol. 536, pp. 120885.
  • N. Kumarswamyreddy, D. N. Reddy, D. M. Robkis, N. Kamiya, R. Tsukamoto, M. M. Kanaoka, T. Higashiyama, S. Oishi, and J. W. Bode. “Chemical Synthesis of Torenia Plant Pollen Tube Attractant Proteins by KAHA Ligation.” RSC Chemical Biology. 2022,  vol. 3, no. 6, pp. 721-727.
  •  S. Muthusamy, N. Kumarswamyreddy, and V. Kesavan. “Enantioselective Synthesis of 3-Amino-3’- carbazole Oxindole Derivatives via Friedel-Crafts Aminoalkylation Reaction.” Chemistry Select. 2022,  vol. 7, no. 7, p. e202200131.
2021
  • Das, M. Carlon, B. Kumar, S. Ambala, J. Pécaut, C. Gateau, G. Roy. and P. Delangle. “Tripodal scaffolds with three appended imidazole thiones for Cu(I) chelation and protection from Cu-mediated oxidative stress.”J. Inorg. Biochem. 2021, vol. 222, pp. 111518.
  • Karri, R.; Rai, R. K.; G. Roy. "Activation of Mercury-C Bond by N-Heterocyclic-Based Thiones and Selones: A Structural Overview" in "A Closer Look at Coordination Complexes", ed. Ghumaan, S. K., Nova Science Publishers, USA. 2021, Chapter 8, pp 369 – 409; Print ISBN: 978-1-68507-094-6.
  • Boya, K. Nam, A. K. Manna, J. Kang, C. Lyi, A. Jain, S. M. Yusuf, P. Khuntia, B. Sana, V. Kumar, A. V. Mahajan, D. R. Patil, K. H. Kim, S. K. Panda and B. Koteswararao. “Magnetic properties of the S= ହ ଶ anisotropic triangular chain compound Bi3FeMo2O12.” Physical Review B. 2021,  vol. 104, no. 18, pp. 184402- 184408.
  • Ahmed and A. K. Manna. “Origins of Large Stokes Shifts in a Pyrene–Styrene-Based Push–Pull Organic Molecular Dyad in Polar Solvents and Large Electron Mobility in the Crystalline State: A Theoretical Perspective.” J. Phys. Chem. C. 2021, vol.126, no. 1, pp. 423-433.
  • Ahmed and A. K. Manna. “Theoretical insights on tunable optoelectronics and charge mobilities in cyano-perylenediimides: interplays between–CN numbers and positions.” Physical Chemistry Chemical Physics. 2021, vol. 23, no.27, pp.14687-14698.
  • Rafeek and D. Mondal, “Noise-induced symmetry breaking of self-regulators: Anasymmetric transition towards homochirality.” J. Chem. Phys. 2021,  vol. 154, no. 24, pp. 244906.
  • Debnath, P. Chaudhury, T. Mukherjee, D. Mondal, and P. K. Ghosh. “Escape kinetics of self-propelled particles from a circular cavity.” J. Chem. Phys. 2021,  vol. 155, no. 19, pp. 194102.
  • Sk, V. Thangaraji, N. Yadav, G. P. Nanda, S. Das, P. Gandeepan. E. Zysman-Colman and P. Rajamalli. “High performance non-doped green organic light emitting diodes via delayed fluorescence.”J. Mater. Chem. C. 2021, vol. 9, no. 43, pp. 15583-15590.
  • Mantry, R. Maayuri, V. Kumar and P. Gandeepan. “Photoredox catalysis in nickel-catalyzed C–H functionalization.”Beilstein J. Org. Chem. 2021, vol. 17, pp. 2209-2259.
  • D. Reddy, A. Joy and Biswas, R. “Effects of hydrophobic solute on water normal modes.”Chemical Physics. 2021,  vol. 550, pp. 111303.
  • Sivaiah, R. Nag and C. P. Rao. “Glyco-Conjugate Design and Demonstration as Receptors for the Species of Biological, Ecological and Medical Importance: Support from Spectroscopy and Microscopy.” Chemistry Select. 2021, vol. 6, no. 9, pp. 2051-2079.
  • Nag & C. P. Rao. “Supramolecular Conjugates of Calixarenes in Biological Cells by Microscopy.” J. Chem. Sci. 2021, vol. 133, pp. 92.
  • Nag and C. P. Rao. “Development and Demonstration of Functionalized Inorganic-Organic Hybrid Copper Phosphate Nanoflowers for Mimicking the Oxidative Reactions of Metalloenzymes by Working as a Nanozyme.” J. Mater. Chem. B. 2021, vol. 9, no. 16, pp. 3523-3532.
  • Nag, and C. P. Rao. “Development and Demonstration of Functionalized Inorganic-Organic Hybrid Copper Phosphate Nanoflowers for Mimicking the Oxidative Reactions of Metalloenzymes by Working as a Nanozyme.” J. Mater. Chem. B. 2021, vol. 9, no. 16, 2021, pp. 3523-3532.
  • Sivaiah, R. Nag, and C. P. Rao. “Glyco-Conjugate Design and Demonstration as Receptors for the Species of Biological, Ecological and Medical Importance: Support from Spectroscopy and Microscopy.” Chemistry Select. 2021, vol. 6, no. 9, pp. 2051-2079.
  • S. Ray and S. Reuveni. “Resetting transition is governed by the interplay between thermal and potential energy.” J. Chem. Phys. 2021, vol. 154, pp. 171103. 
  • N. Kumarswamyreddy, S. Jayakumar, V. Kesavan. “Palladium-catalyzed Asymmetric Allylic Alkylation of 3-Amino-2-Oxindoles: Synthesis of 3-Allyl-3-Amino-2-Oxindoles.” Tetrahedron Letter. 2021, vol. 82, pp. 153385.
  • V. P. R. Gajulapalli, N. Kumarswamyreddy, K. Lokesh, and V. Kesavan, “Enantioselective Synthesis of 3- Acetyl Coumarin Substituted 3-Hydroxy Oxindoles and Pyranocoumarin Fused Spirooxindoles.” Chemistry Select. 2021,  vol. 6, no. 31, pp. 7855-7859.
2020
  • Karri, R. Das, R. K. Rai, A. Gopalakrishnan and G. Roy.“Hg−C Protonolysis by A Functional Model of Bacterial Enzyme Organomercurial Lyase MerB.” Chem Comm. 2020, vol. 56, no. 65, pp.9280-9283.
  • Ahmed, and A. K. Manna, “Molecular-Scale Engineering of the Charge-Transfer Excited States in Non-Covalently Bound Zn-Porphyrin and Carbon Fullerene Based Donor-Acceptor Complex.” Phys. Chem. Chem. Phys. 2020, vol. 22, no. 26, pp. 14822-14831.
  • D. Reddy, and Biswas, R. “Theoretical Spectroscopy of Isotopically Dilute Water and Hydrophobicity.” J. Chem. Phys. 2020, vol. 153, no. 9, pp. 094501.
  • P. Gandeepan. L. H. Finger, T. H. Meyer, and L. Ackermann. “3d Metallaelectrocatalysis for Resource Economical Syntheses.” Chemical Society Reviews, 2020, vol. 49, no. 13, pp. 4254-4272.
  • K. Jyothi, T. Thenepalli, J. W. Ahn, K. W. Chung, and J. Y. Lee. “Review of Rare Earth Elements Recovery from Secondary Resources for Clean Energy Technologies: Grand Opportunities to Create Wealth from Waste.” J. Clean. Prod. 2020, vol. 267, pp.122048.                                      
  • K. Dinda, S. Polepalli, and C. P. Rao. “Binding of Fe(II)-Complex of Phenanthroline Appended Glycoconjugate with DNA, Plasmid and an Agglutinin Protein.” New J. Chem. 2020, vol. 44, no. 27, pp. 11727 – 11738.
  • Polepalli, B. Uttam, and C. P. Rao. “Protein – Inorganic Nano Hybrid Sheets of Pd Embedded BSA as Robust Catalyst in Water for Oxidase Mimic Activity and C-C Coupling Reactions, and as Sustainable Material for Micromolar Sensing of Dopamine.” Materials Advances. 2020, vol. 1, no. 6, 2074-2083.
  • Thawari, P. Kumar, R. Srivastava, and C. P. Rao. “Lysozyme Coated Copper Nanoclusters for Greenfluorescence and Their Utility in Cell Imaging.” Materials Advances, 2020, vol. 1, no. 5, 1439-1447.
  • Narula, Md. Hussain, A. Upadhyay, and C. P. Rao. “1,3-di-Naphthalimide Conjugate of Calix[4]arene as Sensitive and Selective Sensor for Trinitrophenol and this Turns Reversible when Hybridized with Carrageenan as Beads.” ACS Omega. 2020, vol. 5, no. 40, pp. 25747-25756.
  • Upadhyay, A. Narula, and C. P. Rao. “Copper-based Metallogel of Bovine Serum Albumin and its Derived Hybrid Biomaterials as Aerogel and Sheet: Comparative Study of Adsorption, and Reduction of Dyes and Nitroaromatics by These Materials.” ACS Applied Bio Materials. 2020, vol. 3, no. 12, pp. 8619-8626.
  • B. Uttam, I. Jahan, S. Sen, and C. P. Rao. “Coumarin–Calix[4]arene Conjugate-Anchored SiO2 Nanoparticles as an Ultrasensor Material for Fe3+ to Work in Water, in Serum, and in Biological Cells.” ACS Omega,  vol. 5, no. 33, 2020, pp. 21288-21299.
2019
  • Y. Ali, K. D. Reddy, and A. K. Manna, “Metal Dimethylglyoximato [M(DMG) ; M = Ni2+, Cu2+] Complexes: A 2 Comparative Theoretical Study.” J. Phys. Chem. A. 2019, vol. 123, no. 42, pp. 9166-9174.
  • Ray, D. Mondal, and S. Reuveni. “Peclet number governs transition to acceleratory restart in driftdiffusion.” J. Phys. A: Mathematical and Theorertical. 2019, vol. 52, no. 25, pp. 255002.
2018
  • Vuijk, H.D, A. Sharma, D. Mondal, J. U. Sommer, and H. Merlitz. “Pseudochemotaxis in Inhomogeneous Active Brownian Systems.” Physical Review E. 2018, vol. 97, no. pp. 042612-1 - 042612-7.
  • Mondal, S. Acharya, Biswas, R. B. Bagchi, R. N. Zare, Enhancement of reaction rate in small-sized droplets: A combined analytical and simulation study, J. Chem. Phys. 2018, 148 (24), 244704.
  • Study of distance dependence of hydrophobic force between two graphene-like walls and a signature of pressure induced structure formation in the confined water, T. Samanta, Biswas, R. S. Banerjee and B. Bagchi, Chem. Phys. 2018, 149 (4), 044502.
2017
  • Mondal, P. C., V. Singh, A. K. Manna, and M. Zharnikov. “Covalently Assembled Monolayers of Homo - and Heteroleptic FeII - Terpyridyl Complexes on SiOx and ITO - Coated Glass Substrates: An Experimental and Theoretical Study.” Chem Phys Chem, Wiley. 2017, vol. 18, no. 23, September pp. 3407-3415.
  • Biswas, R. and B. Bagchi. Anomalous water dynamics at surfaces and interfaces: Synergistic effects of confinement and surface interactions, Phys. Cond. Mat. 2017, 30, 013001.
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