Knoevenagel condensation triggered synthesis of dual-channel oxene based chemosensor: Discriminative spectrophotometric recognition of F-, CN- and HSO4- with breast cancer cell imaging, real sample analysis and molecular keypad lock applications.

A novel oxene based unusual sensory receptor (HyMa) has been synthesized via.Knoevenagel condensation triggered carbon-heteroatom (oxygen) intramolecular bond formation reaction at room temperature for discriminative detection of multi-analytes like HSO4-, CN- & F- by spectro-photometric alterations with profound selectivity with the detection limit of 38 ppb, 18 ppb & 94 ppb respectively. Examination of the sensing mechanism was exhaustively investigated through several spectroscopic means like 1H NMR, FT-IR, absorption and fluorescence spectra etc. In addition, quantum mechanical calculations like DFT and Loewdin spin population analyses also validated the rationality of the host-guest interaction. Apart from these, the reversible spectroscopic responses of HyMa towards F- and Al3+ can imitate several complex logic functions that in turn help in preparing molecular keypad lock. This molecular keypad lock has the potential to protect the confidential information at the molecular scale. Additionally, the MTT assay of HyMa showed low cytotoxicity and membrane permeability indicating its attractive capability for bio-imaging towards triple negative breast cancer. HyMa-coated test strips could also be employed towards on-site detection of these deadly contaminants via "Dip Stick" approach without help of any instrumentation. In addition, HyMa has also been exploited for quantitative determination of HSO4- from various real water samples. In a nutshell, detection of lethal contaminants like CN-, F- & HSO4- at ppb level with in vitro live cell imaging has been explored with proper photophysical characterisation and theoretical calculations with real field applications.