Speciation assessment of ions and molecules in aqueous fluids is crucial for understanding critical aspects such as species toxicity and bioavailability, biogeochemical cycling, and many biological phenomena. Speciation in natural fluids, including both environmental and biological fluids containing a large variety of species, with variable concentrations and features, is particularly challenging both at experimental characterization and theoretical modelling levels. Studies in this field may include a multidisciplinary approach both through the use of different analytical techniques as well as through the combination of experimental techniques and simulation.

Knowledge of speciation is of utmost relevance in defining risk assessment of toxic metal cations, in its removal from the human body and from wastewaters and in designing chelation therapy in case of overexposure. Elucidation of the interaction mechanism between metal cations and nucleic acids and proteins is crucial for the assessment of metal toxicity. We aim for this Research Topic to become the point of reference when it comes to novel analytical techniques and methodology around the speciation of metal cations and ligands of higher or lesser complexity in natural fluids.

This Research Topic focuses on advances in the analytical techniques used for speciation of multi-component solutions in biological fluids and environmental matrices. We welcome submissions of Original Research and Review articles on themes including, but not limited to:

• Sample treatment and separation techniques
• Novel optical, electrochemical and chemical sensors and biosensors able to measure specific metals or molecules
• High resolution MS, ICP-MS/OES, GC-MS, LC/CE–(ICP)-MS
• Isothermal titration calorimetry
• Potentiometric/voltammetric titration techniques in combination with microfluidics, miniaturization of electrodes, flow electrochemical cells
• Statistical, computational, chemometric approaches for speciation analysis
• Simulation and modelling of the interactions occurring in multi-component systems
• Advances in proteomics and metabolomics

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Frontiers in Chemistry

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