At IIT Palakkad

(1)  A. Shanmughan, MA. Nithasha, B. Mohan, D. Umadevi*, S. Shanmugaraju, Troger’s base-containing fluorenone organic polymer for discriminative fluorescence sensing of sulfamethazine antibiotic at ppb level in the water medium. Polym. Chem. 2023, 14, 4153-4159. (Impact Factor: 5.364, Times Cited: 0)

(2) B. Mohan, D. Sarkar, P.R. Lakshmi, D. Umadevi*, S. Shanmugaraju, N-aryl-4-amino-1, 8-naphthalimide Tröger's bases-based internal charge transfer (ICT) fluorescence ‘turn-on’chemosensors for volatile organic amines  J Photochem Photobiol A 2023, 441, 114727 (Impact Factor: 5.141, Times Cited: 1)

(3) B. Mohan, D. Umadevi, S. Shanmugaraju Discriminative turn-on fluorescence sensing of volatile halogenated solvents using a cleft-shaped 4-amino-1, 8-naphthalimide Trogers base fluorophore Sensors & Diagnostics 2023, 2, 262-267 (Impact Factor: n/a, Times Cited: 0)

(4) A. Shanmughan, P.R. Lakshmi, D. Umadevi, S. Shanmugaraju Discriminative fluorescent sensing of nitro-antibiotics at ppb level using N-Phenyl-amino-1, 8-naphthalimides chemosensors Results. Chem. 2022, 4, 100546 (Impact Factor: n/a, Times Cited: 2

(5) B. Mohan, S. Estalayo-Adrián, D. Umadevi, B. Poulsen, S. Blasco, G. McManus, T. Gunnlaugsson, S. Shanmugaraju Design, Synthesis, and Anticancer Studies of a p-Cymene-Ru(II)-Curcumin Organometallic Conjugate Based on a Fluorescent 4-Amino-1,8-naphthalimide Troger’s Base Scaffold Inorg. Chem. 2022, 61, 11592-11599 (Impact Factor: 5.436, Times Cited: 3)

(6) T. Gorai, J. I. Lovitt, D. Umadevi, G. McManus, T. Gunnlaugsson Hierarchical supramolecular coassembly formation employing multicomponent light harvesting charge transfer interactions giving rise to long wavelength emitting luminescent microspheres. Chem. Sci., 2022, 13, 7805-7813 (Impact Factor: 9.969, Times Cited:7)

(7) B. Mohan, P. Balakrishnan, D. Umadevi, S. Shanmugaraju A simple 4-amino-1, 8-naphthalimide hydrazine based “turn-on” fluorescent chemosensor for selective and reversible detection of Zn (II) ion. Inorg. Chim. Acta, 2022, 533, 120798 (Impact Factor: 2.545, Times Cited:6)

Before IIT Palakkad

(8) J. I. Lovitt, D. Umadevi, B. Twamley, T. Gunnlaugsson and S. Shanmugaraju Solvothermal synthesis and structural characterization of two Cd(II) coordination polymers from a luminescent 4-amino-1,8-naphthalimide Tröger’s base supramolecular scaffold. Supramol. Chem., 32 (12), 2020, 620-633 (Impact Factor: 1.688, Times Cited:11)

(9) J. M. Delente, D. Umadevi, K. Byrne, W. Schmitt, G. W. Watson, T. Gunnlaugsson and S. Shanmugaraju, Hyper-crosslinked 4-amino-1,8-naphthalimide Tröger’s base containing pyridinium covalent organic polymer for discriminative fluorescent sensing of chemical explosives. Supramol. Chem., 32 (9), 2020, 508-517. (Impact Factor: 1.688, Times Cited: 6)

(10) J. M. Delente, D. Umadevi, S. Shanmugaraju, O. Kotova, G. W. Watson and T. Gunnlaugsson, Aggregation induced emission (AIE) active 4-amino-1,8-naphthalimide-Tröger's base for the selective sensing of chemical explosives in competitive aqueous media Chem. Commun., 56 (17), 2020, 2562-2565. (Impact Factor: 6.222, Times Cited: 50)

(11) D. Umadevi* and G. W. Watson, Quasiparticle GW calculations on lead-free hybrid germanium iodide perovskite CH3NH3GeI3 for photovoltaic applications. ACS Omega, 4 (3), 2019, 5661-5669. (Impact Factor: 4.132, Times Cited: 21)

(12) S. Shanmugaraju, D. Umadevi, L. M. González-Barcia, J. M. Delente, K. Byrne,   W. Schmitt, G. W. Watson and T. Gunnlaugsson, “Turn-on” fluorescence sensing of volatile organic compounds using a 4-amino-1,8-naphthalimide Tröger’s base functionalised triazine organic polymer. Chem. Commun., 55 (81), 2019, 12140-12143. (Impact Factor: 6.222, Times Cited: 40)  (Published as an inside front cover article)

(13) S. Shanmugaraju, B. C. Poulsen, T. Arisa. D. Umadevi, H. L. Dalton, C. S. Hawes, S. Estalayo-Adrián, A. J. Savyasachi, G. W. Watson, D. C. Williams and T. Gunnlaugsson, Synthesis, structural characterisation and antiproliferative activity of a new fluorescent 4-amino-1, 8-naphthalimide Tröger's base–Ru (ii)–curcumin organometallic conjugate. Chem. Commun., 54 (33), 2018, 4120-4123. (Impact Factor: 6.222, Times Cited: 37)

(14) S. Shanmugaraju, D. Umadevi, A. J. Savyasachi, K. Byrne, M. Ruether, W. Schmitt, G. W. Watson and T. Gunnlaugsson, Reversible adsorption and storage of secondary explosives from water using a Trogers base-functionalized polymer.  J. Mater. Chem A, 5 (47), 2017, 25014-25024. (Impact Factor: 14.511, Times Cited: 28)

(15) S. Shanmugaraju, C. Dabadi, K. Byrne, A. J. Savyasachi., D. Umadevi, W. Schmitt, J. A. Kitchen and T. Gunnlaugsson,  A supramolecular Trogers base derived coordination zinc polymer for fluorescent sensing of phenolic-nitroaromatic explosives in water. Chem. Sci., 8 (2), 2017, 1535-1546. (Impact Factor: 9.969, Times Cited: 159)

 (16) S. Panigrahi, D. Umadevi and G. N. Sastry, Anomalous lithium adsorption propensity of monolayer carbonaceous materials: A density functional theory study. J. Chem. Sci., 128 (10), 2016, 1641-1649. (Impact Factor: 1.951, Times Cited: 1)

(17) D. Umadevi,* and G. N. Sastry, Graphane versus graphene: A computational investigation of the interaction of nucleobases, amino acids, heterocycles, small molecules, metal ions and onium ions. Phys. Chem. Chem. Phys., 17 (45), 2015, 30260-30269. (Impact Factor: 3.945, Times Cited: 24)  (Published as an inside front cover article)

(18) D. Umadevi, and G. N. Sastry, Saturated versus unsaturated hydrocarbon interactions with carbon nanostructures. Front. Chem., 2 (75), 2014, 1-11. (Impact Factor: 5.545, Times Cited: 6)

(19) D. Umadevi, S. Panigrahi and G. N. Sastry, Noncovalent interaction of carbon nanostructures. Acc. Chem. Res., 47 (8), 2014, 2574-2581. (Impact Factor: 24.466, Times Cited: 152)

(20) D. K Mohapatra, G. Umamaheshwar, M. M. Rao, D. Umadevi and J. S. Yadav, Concise total synthesis of botryolide B. RSC Adv., 4 (16), 2014, 8335-8340. (Impact Factor: 4.036, Times Cited: 9)

(21) J. R. Premkumar, D. Umadevi, and G. N. Sastry, Quantifying dispersion interaction: a study of alkane and alkene dimers. Indian J. Chem. Sect A, 53A, 2014, 985-991. (Impact Factor: 0.491, Times Cited: 8)

(22) D. Umadevi and G. N. Sastry, Feasibility of carbon nanomaterials as gas sensors: A computational investigation. Curr. Sci., 106 (9), 2014, 1224-1234. (Impact Factor: 1.102, Times Cited: 33)

(23) D. Umadevi and G. N. Sastry, Impact of the chirality and curvature of carbon nano-structure on their interaction with aromatics and amino acids.ChemPhysChem, 14 (11), 2013, 2570-2578. (Impact Factor: 3.52, Times Cited: 47)

(24) D. Umadevi, S. Panigrahi and G. N. Sastry, Towards understanding the noncovalent functionalization of carbon nanostructures: A computational perspective. ISRAPS Bulletin, 25 (4), 2013, 35-37. (Impact Factor: N/A, Times Cited: -)

(25) D. Umadevi and G. N. Sastry, Metal ion binding with carbon nanotubes and graphene: Effect of chirality and curvature. Chem. Phys. Lett., 549, 2012, 39-43. (Impact Factor: 2.719, Times Cited: 51)

(26) B. Sharma, D. Umadevi and G. N. Sastry, Contrasting preferences of N and P substituted heteroaromatics towards metal binding: Probing the regio-selectivity of Li+ and Mg2+ binding to (CH)6-m-nNmPn. Phys. Chem. Chem. Phys., 14 (40), 2012, 13922-13932. (Impact Factor: 3.945, Times Cited: 15)

(27) D. Umadevi and G. N. Sastry, Quantum mechanical study of physisorption of nucleobases on carbon materials: Graphene versus carbon nanotubes.J. Phys. Chem. Lett., 2 (13), 2011, 1572-1576. (Impact Factor: 6.888, Times Cited: 177)

(28) D. Umadevi and G. N. Sastry, Molecular and ionic interaction with graphene nanoflakes: A computational investigation of CO2, H2O, Li, Mg, Li+, Mg2+ interaction with polycyclic aromatic hydrocarbons. J. Phys. Chem. C, 115 (19), 2011, 9656-9667. (Impact Factor: 4.177, Times Cited: 114)

Project Title: Computational Evaluation of Hybrid Perovskite Materials for Photovoltaic

Role: PI

Reference No.: GOIPD/2015/290

Duration: October 2015-September 2017

Cost: Rs. 8000000

Funding agency: Irish Research Council (IRC), Ireland (International)

Project Title: Two Dimensional Frameworks: Design Principles in Sustainable Energy and Environment

Role: PI

Reference No.: DST/WOS-A/CS-68/2021

Duration: March 2023 – March 2026

Cost: Rs. 3200000

Funding agency: DST, India (National)

Project Title: Design of Novel Buckybowls: An Interplay between Experiment and Theory

Role: International Visiting Researcher

Host: National Institute of Natural Sciences (NINS), Japan.

Duration: May 2010 to July 2010

Cost: Rs. 200000

Funding agency: IMS International Joint Research Program (International)

• Awarded DST Women Scientist research grant (DST-WOSA), by Department of Science and Technology, India, 2023
• Outstanding Reviewer Award by the Journal “Applied Surface Science” (Elsevier), 2017.
• Irish Research Council Postdoctoral Fellowship from the Government of Ireland, 2015.
• IMS International Joint Research Program Fellowship to visit the Institute of Molecular Sciences (IMS), National Institute of Natural Sciences (NINS), Japan, 2010.
• Best Poster Award at the Theoretical Chemistry Symposium held at IIT Guwahati, India, 2012.
• Qualified CSIR-JRF Government of India, 2009.
• Qualified “Graduate Aptitude Test in Engineering (GATE) in Chemistry 2009”, Government of India, 2009.
• Best Oral Presentation Award (III place) on “Alternatives for petrol” at Thiagarajar College, Madurai, India, 2007.
• Best Oral Presentation Award (III place) on “Medical Applications of Nanochemistry” held at Thiagarajar College, Madurai, India, 2005.
• Best Oral Presentation Award (II place) on “Nanochemistry” symposium held at Lady Doak College, Madurai, India, 2005.
• Best Oral Presentation Award (II place) on “Structure and mechanism of ion channels” held at Thiagarajar College, Madurai, India, 2005.
• Best Oral Presentation Award (II place) at “Recent trends in Chemistry” seminar held at Fatima College, Madurai, India, 2004.
• General Proficiency Award in the school level, 2000.
• National Level Merit Scholarship by the government of India (2000-2005).

• July 2019: Delivered an invited talk on "Functionalization of Graphene and Carbon nanotubes: A Computational Perspective" at an international conference on Frontier Areas of Chemistry held at The American College, Madurai.
• August 2019: Delivered an invited talk on "Challenges and Advances in Computational Chemistry " at Fatima College, Madurai.
• May 2020: Delivered an invited talk on “Computational design of next-generation materials for solar cell application” at the international webinar in chemistry conducted by The American College, Madurai.
• June 2023: Delivered an invited talk on “Noncovalent interactions” at the National seminar in PSGR Krishnammal College for Women, Coimbatore.
• Oct 2023: Delivered an invited talk on “Can we make the world a better place by doing research?” at the National Seminar on CAMPUS - CORPORATE - COMMUNITY – CONNECT at Fatima College, Madurai.
• Feb 2024: Delivered an invited lecture on “Computational Chemistry for Sustainable Future” at Mendeleev’s Chemistry Club, Department of Chemistry, St. Joseph's College, Trichy.
• August 2024: Delivered a lecture as a resource person for the Faculty Development Programme on "Advancements in Material Science Research" at PSGR Krishnammal College for Women, Coimbatore.