While previous studies have illuminated the behavior of poly(gallol methacrylate)-block-poly(N-phenylmethacrylamide) copolymers (PM-b-PNP) in polar alcoholic mixtures, their performance in non-polar environments remains an uncharted territory. In this study, full-atomistic molecular dynamics (MD) simulations were first employed to investigate the conformational behavior and aggregation of experimentally relevant homo- and block copolymer architectures in heptane. The theoretical findings were subsequently supported through experimental studies using polymers synthesized via controlled reversible addition fragmentation chain transfer (RAFT) polymerization. Our results highlight the critical role of intramolecular hydrogen bonding in stabilizing specific conformations and helix-like structures of PNP homopolymers and the leading role of attractive van der Waals interactions in the aggregation of block copolymers.
N. K. Balabaev, Puja Poddar, Subhadeep Shit et al.· Molecules· 0 citations
Formaldehyde (FA), a toxic and carcinogenic compound used extensively in industrial and preservation processes, requires reliable and selective detection methods, particularly in environmental, food, and biomedical samples. Herein, we report the development of a water-soluble, naphthalimide-based fluorescent polymeric probe, DCP-1, for the selective and rapid sensing of FA in aqueous solutions at physiological pH. The polymer has aromatic amine functional groups in its side chains, which specifically react with FA to form a stable imine. This transformation inhibits the native photoinduced electron transfer (PET), resulting in a distinct "turn-on" fluorescence response in an aqueous medium. The generation of the imine adduct was confirmed by mass spectrometry (MS) and 1H NMR spectroscopy for the representative reaction between a small molecule analogue and FA. DCP-1 exhibits excellent sensitivity, detecting FA at concentrations as low as 1.28 nM and displaying a strong fluorescence response within minutes at 100 nM FA. The probe exhibited reversible behavior upon bisulfite addition, demonstrating its ability to be reused efficiently for multiple FA detection cycles with consistent performance. Density functional theory (DFT) calculations further validated the proposed PET-based sensing mechanism.
Swagata Pan, Subhadip Roy, Satendra Kumar et al.· Chemistry - An Asian Journal· 0 citations