# Basic Process Equation for Analytical Chemistry – An Inclusive and Conciliatory Approach

## TL;DR

This paper introduces a new equation for analytical chemistry that unifies traditional and modern data-driven methods by focusing on information transformation.

## Contribution

The novel 'analytical operator' term unifies univariate and multivariate analytical methods under a single information-based framework.

## Key findings

- The proposed equation aligns with the shift from measurement-centric to information-centric analytical chemistry.
- The iodine value example demonstrates the equation's applicability across different analytical periods and methods.
- The framework successfully bridges traditional and data-driven analytical approaches.

## Abstract

The proposal outlined in this article aims to use information
flow
as a benchmark for analytical chemistry. It starts with raw information,
mostly implicit and nonobvious (latent information), enclosed in the
analytical signal, which is transformed into explicit and interpretable
target chemical information (patent information). A basic process
equation is proposed, derived from the currently accepted definition
of analytical chemistry, which reflects the paradigm change from measurement
to information. The main innovation lies in the inclusion of a term
called the 'analytical operator,’ which is responsible
for
transforming the information. The terms of this equation are interpreted
and matched with different analytical methods, as well as with the
R&D activities involved in current analytical chemistry. The proposal
provides, for the first time, an inclusive approach that reconciles
traditional analytical methods, relying on univariate data, with analytical
methods derived from the application of chemometrics (or, in the same
way, data mining, machine/deep learning, artificial intelligence,
etc.) based on multivariate data. For better understanding, the determination
of the iodine value in vegetable oils has been considered as a guiding
example demonstrating how the proposed process equation is valid throughout
the different periods of analytical chemistry, regardless of the analytical
method applied.