An exploratory in N-doped carbon dots as green fluorescence probes for Hg(II) ions detection

Carbon dots (CDs), as a fascinating carbon nanomaterial, have important applications in various fields due to their unique properties. The physical and chemical properties of CDs can be fine-tuned using heteroatom doping and surface functionalisation. Here, we synthesised N-doped carbon dots (N-CDs) by reacting Citric acid, which serve as the carbon core, with twenty amino acids under microwave irradiation. The fluorescence quenching of each amino acid doped CDs by Hg(II) ions was experimentally measured. Then the effect of the molecular features and chemical properties of amino acids on the fluorescence quenching of N-CDs by Hg(II) ions was investigated by using the quantitative structure-property relationship (QSPR) method. Applying different machine learning techniques including correlation-based and ReliefF algorithm feature selection approaches to choose relevant descriptors, multi-linear regression, and support vector machine to construct QSPR model, some reliable and predictive models were developed. Based on the variables used throughout the final QSPR models, hydrophobic interactions, in addition to hydrogen bonding interactions, can be considered a major factor governing the photoluminescence behaviour of different N-CDs quenched by Hg(II) ions. N-CDs derived from amino acids bearing larger hydrophobic surfaces show greater fluorescence quenching, indicating that a greater capacity to interact with Hg(II) metal ions resulting in further fluorescence quenching.