scholarly journals Mathematical Modelling in Analytical Chromatography: Problems and Solutions

2021 ◽  
Vol 76 (11) ◽  
pp. 1233-1244
Author(s):  
A. M. Dolgonosov ◽  
A. G. Prudkovskii ◽  
E. A. Zaitseva ◽  
N. K. Kolotilina ◽  
A. A. Dolgonosov
Keyword(s):  
High Performance ◽  
Stationary Phases ◽  
Original Research ◽  
Mathematical Experiment ◽  
Imitation Modeling ◽  
Mobile Phases ◽  
Problems And Solutions ◽  
Kinetics And Dynamics ◽  
Dynamic Map ◽  
Academy Of Sciences

Abstract Based on an analysis of the results of original research performed in the Laboratory of Sorption Methods of the Vernadsky Institute of Geochemistry and Analytical Chemistry of the Russian Academy of Sciences within the project “Mathematical Chromatograph,” the review covers the aim and strategy of the imitation modeling of high-performance chromatography; associated problems of the theory of intermolecular interactions; classifications of polar stationary phases by their selectivity; descriptions of the kinetics and dynamics of sorption processes, choice of the composition of multicomponent mobile phases in HPLC and ion chromatography using the method of the dynamic map of a chromatographic system; and the development of alternating gradient modes using a mathematical experiment.

Theoretical Interpretation of High-Performance Chromatographic Data for a Heterogeneous Series of Compounds

1992 ◽  
Vol 57 (1) ◽  
pp. 33-45
Author(s):  
Vladimír Jakuš
Keyword(s):  
Experimental Data ◽  
High Performance ◽  
Theoretical Interpretation ◽  
Retention Data ◽  
Theoretical Evaluation ◽  
New Approach ◽  
Free Energy Of Solvation ◽  
Rp Hplc ◽  
Mobile Phases ◽  
Reversed Phases

A new approach to theoretical evaluation of the Gibbs free energy of solvation was applied for estimation of retention data in high-performance liquid chromatography on reversed phases (RP-HPLC). Simple and improved models of stationary and mobile phases in RP-HPLC were employed. Statistically significant correlations between the calculated and experimental data were obtained for a heterogeneous series of twelve compounds.

scholarly journals Development and Application of a Novel Pluri-Residue Method to Determine Polar Pesticides in Fruits and Vegetables through Liquid Chromatography High Resolution Mass Spectrometry

Foods ◽  
2020 ◽  
Vol 9 (5) ◽  
pp. 553
Author(s):  
Lorena Manzano-Sánchez ◽  
José Antonio Martínez-Martínez ◽  
Irene Domínguez ◽  
José Luis Martínez Vidal ◽  
Antonia Garrido Frenich ◽  
...  
Keyword(s):  
Liquid Chromatography ◽  
High Resolution ◽  
High Performance ◽  
Fruits And Vegetables ◽  
High Resolution Mass Spectrometry ◽  
Stationary Phases ◽  
Mean Values ◽  
Polar Pesticides ◽  
Relative Standard ◽  
The Matrix

Nowadays, highly polar pesticides are not included in multiresidue methods due to their physico-chemical characteristics and therefore, specific analytical methodologies are required for their analysis. Laboratories are still looking for a pluri-residue method that encompasses the largest number of polar pesticides. The aim of this work was the simultaneous determination of ethephon, 2-hydroxyethylphosphonic acid (HEPA), fosetyl aluminum, glyphosate, aminomethylphosphonic acid (AMPA), N-acetyl-glyphosate and N-acetyl-AMPA in tomatoes, oranges, aubergines and grapes. For that purpose, an ultra high performance liquid chromatography (UHPLC) coupled to a high resolution single mass spectrometer Orbitrap-MS were used. Different stationary phases were evaluated for chromatographic separation, and among them, the stationary phase Torus DEA provided the best separation of the selected compounds. The QuPPe method was used for the extraction of the analytes, but slight modifications were needed depending on the matrix. The developed method was validated, observing matrix effect in all matrices. Intra- and inter-day precision were estimated, and relative standard deviation were lower than 19%. Recoveries were satisfactory, and mean values ranged from 70% to 110%. Limits of quantification were between 25 and 100 µg kg−1. Finally, the analytical method was applied to different fruits and vegetables (oranges, tomatoes, aubergines and grapes).

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