Environmental pollution of heavy metals is increasingly becoming a problem and has become of great concern due to the adverse effects it is causing around the world. Many techniques were applied to detect, to determine and to remove. In this study, a simple electrochemical methods was used. The preparation of a novel PVC membrane green sensor was conducted for the Co+2 ion considering the Celeriac alcoholic extract. The sensor has a 29.5 mV decade−1 Nernstian slope within an extensive range of linear concentrations from 0.38 × 10−3 to 0.08 × 10−3 while possessing a 0.03 × 10−4. M detection limit. The response time reported for the proposed sensor is < 10 s, and it is useable for a minimum period of one month with no significant potential divergence. The potentiometric response independence from the test solution pH was also confirmed at pH ranges of 5.8–11. The introduced electrode is appropriately selective in various transition metal ions. The reactivity (chemical and electromechanical) characteristics, including electronegativity, electrophilicity, chemical potential, band gap, softness, and hardness were calculated using the DFT technique. As shown by the results, the apijin was highly reactive in different Celeriac compounds.
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