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M. Nethaji

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Sep 2026

Proton-transfer dictated supramolecular hydrogen bonded architecture in cytosine with substituted carboxylic acid coformers: Experimental and theoretical investigation by density functional approximations, DLPNO-CCSD(T)-F12, and G0W0 calculations.

The nucleobase cytosine has been utilized for co-crystallization with three coformers (gallic acid, aspirin, and thiazole-4-carboxylic acid) by the solvent grinding method. The resulting salts CYT-GAL, CYT-SAL, and CYT-TCA were characterized by the single-crystal x-ray diffraction technique. Structural analysis reveals...

R. Sathishkumar, G. Khanal, Nainamalai Devarajan et al. · 0 citations
Aug 2026

Hydrophobic Effect in Self-Assembly of Metal-Bound Nucleotides: A Structural Study of Iron-Nucleotide Ternary Complexes

The influence of hydrophobic microenvironments on the self-assembly and structural dynamics of nucleotides remains fundamentally elusive at the molecular level. Here, we establish a robust biomimetic platform utilizing a Fe(III)-nucleoside monophosphate-TPA ternary complex, where the bulky TPA ligand serves as a tail...

A. Pal, M. Nethaji · 0 citations

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