Professor and Dean, Principal Investigator, Centre for Theoretical & Computational Chemistry (CTCC), St Berchmans College (Autonomous), Mahatma Gandhi University, Changanassery, Kerala, India.
Metalfree cycloaddition in New Journal of Chemistry
The paper investigates the metal-free [3+2] cycloaddition reaction between phenyl azide and phenyl enaminone to selectively synthesize 1,2,3-triazoles. Using computational methods, it explores the reaction pathways (1,4- and 1,5-pathway), solvent effects, and the impact of phenyl azide substituents, offering insights into the reaction mechanism and the role of water as a solvent and catalyst.
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Rajimon : Schiff base derived from 4-Chloroaniline and 2-Formylphenol
PhD student Rajimon KJ's 6th first-authored paper in Journal of Molecular Structure (Elsevier). Comprehensive assessment of schiff base derived from 4-Chloroaniline and 2-Formylphenol: Molecular architecture, experimental with computational bioactivity profiling, emphasizing anticancer efficacy against pulmonary and mammary carcinoma cell models
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Cu-Schiff base complex in Polyhedron
PhD student Rajimon KJ's 7th first-authored paper was published in Polyhedron (Elsevier). Structural, spectroscopic, and biological properties of an asymmetric Cu (II) Schiff-base complex: Synthesis, DNA/BSA interactions, and antimicrobial potential with experimental and computational insights
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Collaborative paper with Prof BK Sarojini, Mangalaore University
Supramolecular and computational analysis of Fluconazole −2−chloro−5−nitrobenzoic acid cocrystal. PhD student, Rajimon KJ was a visitor at her lab last year.
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Mission Statement
Fundamental Chemical Bonding & Interactions
Theoretical Solvation Science
Advanced Materials & Catalysis
Computational Drug Design & Medicinal Chemistry
Shaping the Future of Chemistry
Recieving the Dr Sr Annie Kuriakose National Award for the Best College Teacher
Honored to receive the Dr. Sr. Annie Kuriakose Endowment National Level Best Teacher Award 2024-25 at St. Joseph’s College, Irinjalakuda, from Dr. P.V. Radhadevi, Director, ADRIN, ISRO, Hyderabad, in the esteemed presence of Dr. Sr. Annie Kuriakose, Superior General of the Congregation of the Holy Family. Omnia ad Majorem Dei Gloriam. All for the Great Glory of God.
Invited Lecture at St Josephs University Bangalore, National Conference.
Mebin Varghese’s work ‘Exploring the dynamics of halogen and hydrogen bonds in halogenated coumarins’
Mebin Varghese's theoretical study has revealed insights into the competition between halogen and hydrogen bonds in singly hydrated halogenated coumarins, crucial molecules in cancer treatment and photochemotherapy. Using advanced computational methods, researchers found that water molecules form hydrogen bonds with the coumarin derivatives, but halogen bonding is observed only with bromine and iodine substitutions. This study, employing techniques like PBE0 D3BJ with augmented correlation consistent basis set and DLPNO-CCSD(T) for local energy decomposition analysis, advances our understanding of molecular interactions significant in drug design and supramolecular chemistry. Varghese, Mebin, Thomas, Jisha Mary, Alzahrani, Abdullah Y. and Thomas, Renjith. "Exploring the dynamics of halogen and hydrogen bonds in halogenated coumarins" Zeitschrift für Physikalische Chemie
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