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RESEARCH PRODUCT

A new tool for evaluating and/or selecting analytical methods: Summarizing the information in a hexagon

Pilar Campí Ns-falcóMónica LorenteAna Ballester-caudetBibiana PérezRaquel SanchoGuadalupe SastreCarina Gonzalez

subject

User FriendlyComputer scienceHexagonal crystal system010401 analytical chemistry01 natural sciencesPictogramIndustrial engineering0104 chemical sciencesAnalytical ChemistryEconomic costLine (geometry)Carbon footprintSpectroscopySelection (genetic algorithm)Block (data storage)

description

Abstract A quantitative evaluation tool is proposed, which aims to assess optimal selection or/and testing of analytical methods. Objective criteria related to analytical performance, sustainability, environmental impact and economic cost are evaluated through the definition of penalty points divided into five different blocks, namely, figures of merit, toxicity and safety, residues, carbon footprint and economic cost. For each block, the overall qualification is scaled from 0 to 4 and it is depicted on a regular hexagonal pictogram that allows a user friendly comparison of analytical procedures. The present evaluation tool aims to be a guideline for evaluating and/or selecting analytical procedures that are in line with Green Chemistry philosophy, but also balancing the figures of merit needed for solving a given problem, safety and cost-effectiveness. Real examples have been tested.

https://doi.org/10.1016/j.trac.2019.06.015