TY - JOUR

T1 - Optimization of the Identification Algorithm Using Reference Values of Gas Chromatographic Retention Indices

AU - Zenkevich, I.G.

N1 - Export Date: 23 March 2026; Cited By: 0; Correspondence Address: I.G. Zenkevich; St. Petersburg State University, Institute of Chemistry, St. Petersburg, 198504, Russian Federation; email: izenkevich@yandex.ru; CODEN: JACTE

PY - 2026/3/2

Y1 - 2026/3/2

N2 - Abstract: The capabilities of an algorithm for comparing experimental and reference values of gas chromatographic retention indices (RIs) are discussed. This algorithm was designed to eliminate significant elements of uncertainty inherent in most modern recommendations, namely, fixed values of their permissible deviations ΔRI. The proposed algorithm is oriented toward the use of variable values of deviations ΔRI = (RIref – RIexpt). It is applicable to multicomponent mixtures in which individual components with known reference values of retention indices can be reliably identified. This makes it possible to calculate the parameters of the regression equations ΔRI = (RIref – RIexpt) = aRIexpt + b with the subsequent use of these equations to recalculate the experimental RI values into the corrected values RIcorr = RIexpt + ΔRI. For example, this algorithm allows one to use reference RI values for semistandard stationary phases containing 5% phenyl groups to identify compounds by indices determined on standard nonpolar polydimethylsiloxane stationary phases and vice versa. It is applicable to both statistically processed data (presented in the format mean value ± permissible deviation) and to the results of single determinations. © Pleiades Publishing, Ltd. 2026.

AB - Abstract: The capabilities of an algorithm for comparing experimental and reference values of gas chromatographic retention indices (RIs) are discussed. This algorithm was designed to eliminate significant elements of uncertainty inherent in most modern recommendations, namely, fixed values of their permissible deviations ΔRI. The proposed algorithm is oriented toward the use of variable values of deviations ΔRI = (RIref – RIexpt). It is applicable to multicomponent mixtures in which individual components with known reference values of retention indices can be reliably identified. This makes it possible to calculate the parameters of the regression equations ΔRI = (RIref – RIexpt) = aRIexpt + b with the subsequent use of these equations to recalculate the experimental RI values into the corrected values RIcorr = RIexpt + ΔRI. For example, this algorithm allows one to use reference RI values for semistandard stationary phases containing 5% phenyl groups to identify compounds by indices determined on standard nonpolar polydimethylsiloxane stationary phases and vice versa. It is applicable to both statistically processed data (presented in the format mean value ± permissible deviation) and to the results of single determinations. © Pleiades Publishing, Ltd. 2026.

KW - comparison algorithms

KW - databases

KW - gas chromatographic identification

KW - reference values

KW - retention indices

KW - Data handling

KW - Gas chromatography

KW - Statistics

KW - Comparison algorithm

KW - Experimental values

KW - Gas chromatographic identification

KW - Gas chromatographic retention indices

KW - Identification algorithms

KW - Index values

KW - Optimisations

KW - Reference values

KW - Retention index

KW - Stationary phase

KW - Database systems

UR - https://www.mendeley.com/catalogue/1738d364-4b28-3693-87cb-b7757e35a3b4/

U2 - 10.1134/s1061934825701606

DO - 10.1134/s1061934825701606

M3 - статья

VL - 81

SP - 333

EP - 344

JO - Journal of Analytical Chemistry

JF - Journal of Analytical Chemistry

SN - 1061-9348

IS - 2

ER -