the veterinary drugs residues are also important pollutants found in milk, since veterinary drugs are commonly used in cattle management. considering the role of milk in human nutrition and its wide consumption throughout the world, it is very important to ensure the milk quality. a quantitative structure–retention relationship (qsrr) was developed using the partial least square (pls), kernel p...

Genetic algorithm and partial least square (GA-PLS) technique was used to investigate the correlation between linear retention index (LRI) for Teucrium chamaedrys volatiles which were obtained by direct thermal desorption (DTD) technique with comprehensive two-dimensional (2D) gas chromatography-time-of-flight mass spectrometry (GC×GC-TOF/MS). The applied internal (leave-group-out cross validat...

The retention time of 23 barbituric acid derivatives was determined on an narrow-bore porous graphitized carbon (PGC) column employing water-dioxane mixtures as mobile phases. The retention factor (k), theoretical plate number (N), and asymmetry factor (AF) were computed for each analyte in each mobile phase. Quantitative structure-retention relationship (QSRR) calculations using stepwise regre...

There is an increasing need for comparable and harmonized retention times (tR) in liquid chromatography (LC) among different laboratories, to provide supplementary evidence the identity of compounds high-resolution mass spectrometry (HRMS)-based suspect nontarget screening investigations. In this study, a rigorously tested, flexible, less system-dependent unified time index (RTI) approach LC pr...

Genetic algorithm and partial least square (GA-PLS) and kernel PLS (GA-KPLS) techniques were used to investigate the correlation between retention indices (RI) and descriptors for 117 diverse compounds in essential oils from 5 Pimpinella species gathered from central Turkey which were obtained by gas chromatography and gas chromatography-mass spectrometry. The square correlation coefficient lea...

The properties relevant to pharmacokinetics and pharmacodynamics of four series of synthesized s-triazine derivatives have been studied by Quantitative structure-retention relationship (QSRR) approach. The chromatographic behavior of these compounds was investigated by using reversed-phase high performance thin-layer chromatography (RP-HPTLC). Chromatographic retention (R M (0)) was correlated ...

Abstract Bacterial DNA gyrase and topoisomerase IV control the topological state of during replication represent important antibacterial drug targets. To be successful as candidates, newly synthesized compounds must possess optimal lipophilicity, which enables efficient delivery to site action. In this study, retention behavior twenty-three previously dual inhibitors was tested in RP-HPLC syste...