Chemometrics approaches to green analytical chemistry procedure development

Abstract Chemometric tools are widely used in analytical chemistry for the reduction of data dimensionality, grouping of variables and processing of analytical signals. They have also the potential to be applied in analytical procedure development with the aim of minimizing the procedure’s environmental impact. The design of experiment gives the possibility to obtain much better information on the system response than in case of “changing one variable at a time” approach. This results in savings of materials and energy. Desirability functions applied together with the design of experiment, create a possibility to include in procedure development the variables that directly refer to the procedure’s greenness. In this way analysis time, consumption of solvents or reagents and, mobile phase (in the case of liquid chromatography) can be minimized. Cluster analysis and principal component analysis are successfully applied to find greener solvent alternatives.

[1]  Saskia M. van Ruth,et al.  Analytical techniques combined with chemometrics for authentication and determination of contaminants in condiments: A review , 2015 .

[2]  F. Safa,et al.  Simultaneous optimization of the resolution and analysis time in micellar liquid chromatography of phenyl thiohydantoin amino acids using Derringer's desirability function. , 2005, Journal of chromatography. A.

[3]  Elaheh Konoz,et al.  Hydrophobic deep eutectic solvent based on centrifugation-free dispersive liquid–liquid microextraction for speciation of selenium in aqueous samples: One step closer to green analytical chemistry , 2019, Microchemical Journal.

[4]  M. Hadjmohammadi,et al.  OPTIMIZATION OF SEPARATION OF FLAVONOIDS IN MICELLAR LIQUID CHROMATOGRAPHY USING EXPERIMENTAL DESIGN AND DERRINGER'S DESIRABILITY FUNCTION , 2012 .

[5]  Marta Bystrzanowska,et al.  Chemometrics for Selection, Prediction, and Classification of Sustainable Solutions for Green Chemistry - A Review , 2020, Symmetry.

[6]  Sherin F Hammad,et al.  Innovative Quality by Design Approach for Development of Green Micellar HPLC Method for Simultaneous Determination of Atorvastatin and Amlodipine , 2020, Chromatographia.

[7]  Bieke Dejaegher,et al.  Experimental designs and their recent advances in set-up, data interpretation, and analytical applications. , 2011, Journal of pharmaceutical and biomedical analysis.

[8]  Mihkel Koel.  Do we need Green Analytical Chemistry , 2016 .

[9]  J. Kokosa.  Advances in solvent-microextraction techniques , 2013 .

[10]  David R. J. Hose,et al.  Toward a More Holistic Framework for Solvent Selection , 2016 .

[11]  Marta Bystrzanowska,et al.  Evaluation of the Greenness of Analytical Procedures , 2020 .

[12]  M. Tobiszewski,et al.  A solvent selection guide based on chemometrics and multicriteria decision analysis , 2015 .

[13]  H. Goicoechea,et al.  Experimental design and multiple response optimization. Using the desirability function in analytical methods development. , 2014, Talanta.

[14]  T. Schmidt,et al.  Solventless microextraction techniques for water analysis , 2019, TrAC Trends in Analytical Chemistry.

[15]  D Brynn Hibbert,et al.  Experimental design in chromatography: a tutorial review. , 2012, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.

[16]  Romina Canales,et al.  Chemometric and green metric strategies for sustainable analytical methods: phenolic compounds in lettuce-NADES extracts. , 2021, Analytical methods : advancing methods and applications.

[17]  Jeroen Geuens,et al.  SUSSOL—Using Artificial Intelligence for Greener Solvent Selection and Substitution , 2020, Molecules.

[18]  Marilena E. Dasenaki,et al.  Application of High Resolution Mass Spectrometric methods coupled with chemometric techniques in olive oil authenticity studies - A review. , 2020, Analytica chimica acta.

[19]  S. Vignaduzzo,et al.  Development and validation of a green method for dissolution monitoring of pharmaceutical combinations. Meloxican and pridinol , 2019, Journal of pharmaceutical and biomedical analysis.

[20]  H. Heidari,et al.  Multi-response optimization of magnetic solid phase extraction based on carbon coated Fe3O4 nanoparticles using desirability function approach for the determination of the organophosphorus pesticides in aquatic samples by HPLC-UV. , 2012, Talanta.

[21]  M. Tobiszewski,et al.  Optimization of liquid chromatographic separation of pharmaceuticals within green analytical chemistry framework , 2020 .

[22]  N. Abdelwahab,et al.  Experimentally designed chromatographic method for the simultaneous analysis of dimenhydrinate, cinnarizine and their toxic impurities , 2021, RSC advances.

[23]  Bruna Juliana Moreira,et al.  Dispersive liquid-liquid microextraction followed by green high-performance liquid chromatography for fluconazole determination in cerebrospinal fluid with the aid of chemometric tools. , 2020, Analytical methods : advancing methods and applications.

[24]  S. T. Narenderan,et al.  Experimental design in pesticide extraction methods: A review. , 2019, Food chemistry.

[25]  Marta Bystrzanowska,et al.  Multi-objective optimization of microextraction procedures , 2019, TrAC Trends in Analytical Chemistry.

[26]  M. Bezerra,et al.  Simultaneous optimization of multiple responses and its application in Analytical Chemistry - A review. , 2019, Talanta.

[27]  James Chapman,et al.  Chemometrics for environmental monitoring: a review. , 2020, Analytical methods : advancing methods and applications.

[28]  M. Palma,et al.  Multiresponse optimization of a UPLC method for the simultaneous determination of tryptophan and 15 tryptophan-derived compounds using a Box-Behnken design with a desirability function. , 2017, Food chemistry.

[29]  M. Kuzmanovic,et al.  Alternative analytical method for direct determination of Mn and Ba in peppermint tea based on laser induced breakdown spectroscopy , 2018 .

[30]  James F Cuff,et al.  Greening analytical chromatography , 2010 .

[31]  M. Hadjmohammadi,et al.  Simultaneous optimization of the resolution and analysis time of flavonoids in reverse phase liquid chromatography using Derringer's desirability function. , 2012, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.

[32]  Mark D. Driver,et al.  Solvent similarity index. , 2020, Physical chemistry chemical physics : PCCP.