Dr. VIjisha K Rajan Assistant Professor Email: This email address is being protected from spambots. You need JavaScript enabled to view it., This email address is being protected from spambots. You need JavaScript enabled to view it. Google Scholar - https://scholar.google.com/citations?hl=en&user=vu6_YU4AAAAJ ORCID id - https://orcid.org/0000-0002-1165-0602

Academic Qualifications:

PhD (2014-2018) University of Calicut, Kerala, India

MPhil (2012-2013) University of Calicut, Kerala, India

MSc (2010-2012) University of Calicut, Kerala, India

Research Interests:

Structural evaluation and related properties of compounds, Reaction mechanism, quantum mechanics, molecular simulations, computational chemistry, computational nanotechnology, DFT, TDDFT, molecular docking, QSAR/QSPR studies, theoretical studies on bio-active materials, conducting polymers and Ionic liquids, pharmaceutics, drug designing, Non-linear optical properties (NLO), spectroscopic studies, Computational modelling of semiconducting materials, Molecular dynamic simulations, etc.

 Academic Positions Held:

1. Assistant Professor on contract in Department of Chemistry, University of Calicut (13-06-2014 to 31-08-2014).
2. UGC-JRF in Department of Chemistry, University of Calicut (01-09-2014 to 31-12-2018)
3. Assistant Professor on Maternity leave vacancy in General Department, GPTC Chelakkara (01-02-2019 to 31-05-2019).
4. Assistant Professor on contract in Department of Chemistry, University of Calicut (01-07-2019 to 16-02-2021).
5. Assistant Professor in Department of Nanoscience and Technology, University of Calicut (20-02-2021 to present).
6. Assistant Warden, LH, University of Calicut (01-11-2021 to 31-05-2022)
7. Member, BOS - Nanoscience and Technology (2023 onwards)
8. Head of the Department of Nanoscience and Technology, University of Calicut (06-11-2024 onwards)
9. Course Co-ordinator, STC (Nanoscience and Technology), MMTTC, UoC (10-12-2024 to 17-12-2024)
10. Chairperson, Board of Examinations, MSc Physics (Nanoscience), MSc Chemistry (Nanoscience), University of Calicut (2024 November onwards).
11. Member, RAC, Department of Nanoscience and Technology, University of Calicut (2021 onwards)

Awards and Achievements

1. Has successfully completed the refresher program by MHRD, MKU with A⁺.
2. Has successfully completed the faculty induction program by MHRD, UOC with A⁺.
3. Has completed certification course in “Online hands on training programme on learning management system – Moodle” organized by University of Calicut.
4. Qualified UGC-JRF (81^th rank) in the CSIR-UGC examination held on 22-12-2013.
5. First position in M.Phil. Chemistry examination 2013 by Calicut University.
6. First rank in B.Sc. Chemistry Examination 2010 held by University of Calicut.
7. Has completed certificate course in Clinical diagnostic technology, an add-on course held by University of Calicut.
8. Awarded the post metric rank scholarship for rank holders funded by UGC during 2010-2012
9.  Awarded State Merit Scholarship 2010-2012.
10. Awarded the Kanakam Thampuran Memorial Prize for securing highest mark in courses Quantum Chemistry and Group Theory and Spectroscopy of the M. Sc. Applied Chemistry Examinations (2010-2012) held by Calicut University.
11. Awarded the Prof. M. P. Kannan Endowment Prize for securing highest index mark in courses Quantum Chemistry, Group Theory and Spectroscopy, of the M. Sc. Applied Chemistry Examinations (2010-2012) held by Calicut University.

 Publications:

1. K. Muraleedharan; Vijisha K. Rajan; V. M. Abdul Mujeeb. Green synthesis of pure and doped semiconductor nanoparticles of ZnS and CdS: Trans. Nonferrous Met. Soc. China: 25, 2014, 3265-3270.
2. Vijisha K. Rajan; K. Muraleedharan. A computational investigation on the structure, global parameters and antioxidant capacity of a polyphenol, Gallic acid. Food chem., 2016, 220, 93-99.
3. Vijisha K. Rajan; K. Muraleedharan. Calculation of pKa Values of Alkanolamines – A DFT-B3LYP Computational Analysis. International Journal of Cheminformatics Research: 1(1), 2016, 1-8.
4. Vijisha K. Rajan; K. Muraleedharan. The pKa values of amine based solvents for CO₂ capture and its temperature dependence—An analysis by density functional theory. Int. J. of Green. Gas Con., 2017, 58, 62-70.
5. Vijisha K. Rajan; C. K. Hasna; K. Muraleedharan. The natural food colorant Peonidin from cranberries as a potential radical scavenger- A DFT based mechanistic analysis., Food chem., 2018, 262, 184-190.
6. Vijisha K. Rajan, Shameera Ahamed T.K, K. Muraleedharan: Studies on the UV filtering and radical scavenging capacity of the bitter masking flavanone Eriodictyol. JPHOTOBIOL, 2018, 185, 254-261.
7. Vijisha K. Rajan, Shameera Ahamed T.K., Hasna C.K, K. Muraleedharan: A non toxic natural food colorant and antioxidant ‘Peonidin’ as a pH indicator: A TDDFT analysis. J. of comp. bio. Chem.., 2018, 76, 202-209.
8. Vijisha K. Rajan, Shameera Ahamed T.K, K. Muraleedharan: Studies on the UV filtering and radical scavenging capacity of the bitter masking flavanone Eriodictyol. Data in Brief, 2018, 20, 981-985.
9. K. Sarada; Vijisha K. Rajan; K. Muraleedharan; Exploration of the thermal decomposition of oxalates of copper and silver by experimental and computational methods. J. of Ana. App. Pyr., 2016, 120, 207-214.
10. Bassila Hassan; Vijisha K. Rajan; V. M. Abdul Mujeeb; K. Muraleedharan. A DFT based analysis of adsorption of Hg²⁺ ion on chitosan monomer and its citralidene and salicylidene derivatives: Prior to the removal of Hg toxicity. Int. J. of Bio. Macro., 2017, 99(1), 549-554.
11. Vijisha K. Rajan, Shameera Ahamed T.K, K. Muraleedharan: Studies on the UV filtering and radical scavenging capacity of the bitter masking flavanone Eriodictyol. Data in Brief 20, 2018, 981-985
12. Shameera Ahamed T.K., Vijisha K. Rajan, Sabira K, K. Muraleedharan QSAR classification-based virtual screening followed by molecular docking studies foe identification of potential inhibitors of 5-Lipoxygenase. J. of comp. bio. Chem.., 2018, 77, 154-166.
13. Amitha G S, Vijisha K. Rajan, K Muraleedharan, Suni Vasudevan, Novel 4,4’-fluoresceinoxy bisphthalonitrile showing aggregation-induced enhanced emission and fluorescence turn off behavior to Fe3+ ions J. of Fluo., 2019, 29, 279-291.
14. Shameera Ahamed. T. K, Vijisha K. Rajan, Sabira. K, K. Muraleedharan, DFT and QTAIM based Investigation on the structure and antioxidant behavior of lichen substances Atranorin, Evernic acid and Diffractaic acid. J. of comp. bio. Chem.., 2019, 80, 66-78.
15. Vintu M, Vijisha K. Rajan, Muraleedharan K, Unnikrishnan Gopalakrishnapanicker, Suzuki coupling derived indolocarbazole based macromolecule as a solid phase/ solution phase sensor for Hg2+: Experimental and Theoretical explorations. Eur. Poly. J., 2019. 114, 287-297.
16. T.K. Shameera Ahamed, Vijisha K. Rajan, K. Muraleedharan: QSAR modeling of benzoquinone derivatives as 5-lipoxygenase inhibitors., Food Sci. Hum. Wel., 2019, 8, 53-62.
17. K.P Safna Hussan, M. Shahin Thayyil, Vijisha K. Rajan, K. Muraleedharan. DFT studies on global parameters, antioxidant mechanism and molecular docking of amlodipine besylate. J. of comp. bio. Chem.., 2019, 80, 46-53.
18. K.P Safna Hussan, M. Shahin Thayyil, Vijisha K. Rajan, K. Muraleedharan^. Experimental and theoretical studies on a double active pharmaceutical ingredient, benzalkonium ibuprofenate. J. of comp. bio. Chem.., 2018, 72, 113-121.
19. T. Noushad; P. Alikutty; H. Basila; Vijisha K. Rajan; K. Muraleedharan; V. M. Abdul Mujeeb. A comparative study on the druggability of Schiff bases and dithiocarbamate derivatives of chitosan. DOI 10.1007/s00289-016-1601-y, Polym. Bull.: 2016, 73 (8)., 2165-2177.
20. K.P.Safna Hussan, M. Shahin Thayyil, S.K.Deshpande, T.V.Jinitha, Vijisha K. Rajan, K.L.Ngai. Synthesis and molecular dynamics of double active pharmaceutical ingredient Benzalkonium Ibuprofenate. J. of Mol. Liq., 2016, 223, 1333-1339.
21. K.P. Safna Hussan, Mohamed Shahin Thayyil, M. Binesh, S.K. Deshpande, Vijisha K. Rajan. Molecular dynamics in amorphous pharmaceutically important protic ionic liquid–benzalkonium chloride. J. of Mol. Liq., 2018, 251, 487-491.
22. Vijisha K. Rajan, Ragi. C. K, K. Muraleedharan: A computational exploration into the structure, antioxidant capacity, mechanism of radical scavenging and druglikeness of the natural food colorant Petunidin from Berries and grapes. Heliyon, 2019, 2, e02115, 2019.
23. Amitha G. S., Vijisha K. Rajan, K Muraleedharan, Suni Vasudevan, Amritha B, Betti base and its modified phthalonitrile derivative for the turn on fluorimetric detection of Hg2+ and Cr3+ ions. J. of Photo. Photobio. A: Chem.: 2019, 382, 111904.
24. Safna Hussan K. P.; Mohamed Shahin Thayyil; Vijisha K. Rajan; Anu Antony. The Interplay between Charge Transport and C_O2Capturing Mechanism in [EMIM][SCN] Ionic Liquid: A Broadband Dielectric Study. J. Phys. Chem. B. 2019, 123 (30), 6618-6626.
25. V.A Ansi, K.R. Vijisha, K. Muraleedharan, N.K. Renuka. Fluorescent carbon nanodots as efficient nitro aromatic sensor-analysis based on computational perspectives. Sens. Actu. A: Phy. 2020, 302, 111817.
26. E. Janeeshma, Vijisha K. Rajan, Jos T. Puthur. Spectral variations associated with anthocyanin accumulation; an apt tool to evaluate zinc stress in Zea mays L., Chem. Eco., 2020.
27. Vijisha. K. Rajan; K. Muraleedharan. Study of pKa values of alkylamines based on density functional theory. Computational Chemistry Methodology in structural Biology and Material Sciences, (Part I, Chapter 1). Taylor & Fransis. CRC Press. 2017, ISBN: 9781771885683.
28. Vijisha. K. Rajan; K. Muraleedharan; Computational study of complexes of delphinidin with Al³⁺ and Ni²⁺ - prior to reduce the metal toxicity. Heavy metals and metalloids inbiosphere - Impacts and assessment; ENVBOOK series. DPH Pvt. Ltd. 2016. ISBN: 978-93-5056-860-6.
29. Vijisha. K. Rajan, K. Muraleedharan, K.P Safna Hussan. Theoretical structural evaluation and toxicological study of a bitter masking bioactive flavanone, ‘Eriodictyol’ from Rose hip. Polyphenols: Prevention and Treatment of Human diseases. (Volume 2, Chapter 5). Elsevier, 2018. ISBN: 978-0-12-813008-7.
30. Vinduja P., Vijisha K. Rajan, Swathi Krishna, K. Muraleedharan A computational modelling of the structure, Frontier Molecular Orbital (FMO) analysis, and global & local reactive descriptors of a phytochemical ‘Coumestrol’. Computational Modeling Of Nanomaterials: Spintronics, Porous Materials And Composites-2019. Apple Academic Press, CRC Press and Taylor & Francis Group From USA and Canada.
31. Shinta Davis, Athira E., Sofia Rachel, Vijisha. K. Rajan; Health benefits of flavonoids: A review Flavonoid for Neurological Disorders 2024 (Chapter 4) Taylor & Fransis. CRC Press, ISBN:9781774919620
32. Vijisha. K. Rajan, Shinta Davis, Athira E., K. Muraleedharan; A potential flavonoid; Cyanidin for curing oxidative stress in biological system Flavonoid for Neurological Disorders 2024 (Chapter 12)       Taylor & Fransis. CRC Press, ISBN:9781774919620
33. Shinta Davis, Athira, E., Vijisha K. Rajan, Density functional theory to decrypt metal-organic framework - A review. Computational Material Science, 247, 2025, 113537
34. Athira E., Shinta Davis, Sofia Rachel Sunil, G. S. Gopika Krishnan, Akhila Darsan S. and Vijisha K. Rajan, A Computational Exploration on the Antioxidant Activity of Vanillic Acid and Its Derivatives. J. Comput. Biophys. Chem. 2025, 24 (6), 807–826
35. E. Athira, S. Akhila Darsan, Shinta Davis, Vijisha K. Rajan; Elucidating the antioxidant potential of some flavanones as MAO‑B inhibitors through DAM, in silico molecular docking and computational analysis. Plant Molecular Biology, 2015, 115, 50
36. Ritu Gopal, Anagha V, Arya PB, Deepthi John, Vijisha K. Rajan, and Renuka Neeroli Kizhakayil; Influence of Solvent in Modulating Optoelectronic and Sensing Properties of Carbon Nanodots. Chemistry - An Asian Journal, 2025, e202401897
37. Keerthana L., Sharulatha V. and Rajan V. K.; 2-Aminopyridine schiff base compounds: Synthesis, characterization, anti-bacterial properties, molecular docking and computational studies Synthetic Communications, 2025