Voltammetric, UV-Vis and PCA/PLS-DA data on Ni(II)-His2 complexes for anion sensing

This dataset comprises electrochemical, spectroscopic, and chemometric data related to Ni(II) complexes formed with a library of His2 peptides - sequences featuring a histidine residue in the second position, facilitating effective metal ion coordination. The included voltammetric (DPV) data capture the redox responses of these complexes to biologically relevant anions such as chloride, sulfate, acetate, lactate, and phosphate. UV-vis spectra recorded at physiological pH (7.4) characterize the coordination environment of the complexes. Principal Component Analysis (PCA) models enable the differentiation of anions and peptide sequences based on electrochemical fingerprints. Additional PCA and PLS-DA models support the classification of simulated blood plasma samples with varying concentrations of lactate and phosphate, mimicking physiological and pathological conditions. The dataset supports the development and evaluation of metal–peptide-based sensing platforms for bioanalytical applications. Data (.csv, .txt) includes:

*DPV curves of binary Ni(II)-His2 peptide complexes (raw data)

*UV-vis spectra of Ni(II)-His2 peptide complexes at pH 7.4

*PCA models for anions recognition by Ni(II)-His2 peptide complexes

*PCA and PLS-DA models for recognition of physiological and pathological simulated blood plasma samples by Ni(II)-RHR complex