TY - JOUR

T1 - Math is greener than chemistry: Assessing green chemistry impact of chemometrics

T2 - TrAC - Trends in Analytical Chemistry

AU - Saveliev, M.

AU - Panchuk, V.

AU - Kirsanov, D.

N1 - Цитирования:1 Export Date: 5 October 2024 CODEN: TTAED Адрес для корреспонденции: Kirsanov, D.; Institute of Chemistry, Russian Federation; эл. почта: d.kirsanov@gmail.com Сведения о финансировании: Russian Science Foundation, RSF, RSF 23-23-00114 Текст о финансировании 1: This research was funded by Russian Science Foundation , grant number RSF 23-23-00114 .

PY - 2024/3/1

Y1 - 2024/3/1

N2 - Chemometric modeling is an important part of the modern analytical chemistry allowing reliable qualitative and quantitative analysis in numerous practically important tasks. Besides significant simplification and cost reduction of analytical procedures achieved through the application of chemometrics, there is a considerable green impact from the use of these methods. However, not so many reports evaluate the particular impact of the chemometric procedures on making the analysis green. Here we evaluate this impact using the popular Eco-Scale greenness score. A combination of chemometric methods with inexpensive spectroscopic, electroanalytical and other techniques eliminates the need in applying dangerous and environmentally unfriendly reagents and procedures. Based on the literature data from several representative case studies we have demonstrated that the Eco-Scale score in addressing particular analytical tasks can be improved up to 40 points through the use of chemometric-based methods. © 2024 Elsevier B.V.

AB - Chemometric modeling is an important part of the modern analytical chemistry allowing reliable qualitative and quantitative analysis in numerous practically important tasks. Besides significant simplification and cost reduction of analytical procedures achieved through the application of chemometrics, there is a considerable green impact from the use of these methods. However, not so many reports evaluate the particular impact of the chemometric procedures on making the analysis green. Here we evaluate this impact using the popular Eco-Scale greenness score. A combination of chemometric methods with inexpensive spectroscopic, electroanalytical and other techniques eliminates the need in applying dangerous and environmentally unfriendly reagents and procedures. Based on the literature data from several representative case studies we have demonstrated that the Eco-Scale score in addressing particular analytical tasks can be improved up to 40 points through the use of chemometric-based methods. © 2024 Elsevier B.V.

KW - Chemometrics

KW - Greenness metrics

KW - Sample preparation

KW - Spectrometry

KW - Cost reduction

KW - Analytical procedure

KW - Chemometric method

KW - Chemometric modeling

KW - Chemometric procedures

KW - Chemometrices

KW - Costs reduction

KW - Green-chemistry

KW - Greenness metric

KW - Qualitative and quantitative analysis

KW - Sustainable chemistry

KW - reagent

KW - toxic substance

KW - algorithm

KW - biochemical analysis

KW - chemical environment

KW - chemical waste

KW - chemometric analysis

KW - comparative study

KW - Eco Scale score

KW - energy dispersive X ray fluorescence spectroscopy

KW - green chemistry

KW - high performance liquid chromatography

KW - mathematics

KW - methodology

KW - near infrared spectroscopy

KW - occupational hazard

KW - optical spectroscopy

KW - Review

KW - scoring system

KW - task performance

UR - https://www.mendeley.com/catalogue/9ea03364-7ef9-3bcb-98b3-011873170dc0/

U2 - 10.1016/j.trac.2024.117556

DO - 10.1016/j.trac.2024.117556

M3 - статья

VL - 172

JO - TrAC - Trends in Analytical Chemistry

JF - TrAC - Trends in Analytical Chemistry

SN - 0165-9936

M1 - 117556

ER -