Electrochemically modulated liquid chromatography: an electrochemical strategy for manipulating chromatographic retention

The Analyst ◽  
2001 ◽  
Vol 126 (11) ◽  
pp. 1841-1849 ◽  
Author(s):  
Jennifer A. Harnisch ◽  
Marc D. Porter
2021 ◽  
Vol 22 (8) ◽  
pp. 4257
Author(s):  
Małgorzata Janicka ◽  
Anna Mycka ◽  
Małgorzata Sztanke ◽  
Krzysztof Sztanke

The Quantitative Structure-Activity Relationship (QSAR) methodology was used to predict biological properties, i.e., the blood–brain distribution (log BB), fraction unbounded in the brain (fu,brain), water-skin permeation (log Kp), binding to human plasma proteins (log Ka,HSA), and intestinal permeability (Caco-2), for three classes of fused azaisocytosine-containing congeners that were considered and tested as promising drug candidates. The compounds were characterized by lipophilic, structural, and electronic descriptors, i.e., chromatographic retention, topological polar surface area, polarizability, and molecular weight. Different reversed-phase liquid chromatography techniques were used to determine the chromatographic lipophilicity of the compounds that were tested, i.e., micellar liquid chromatography (MLC) with the ODS-2 column and polyoxyethylene lauryl ether (Brij 35) as the effluent component, an immobilized artificial membrane (IAM) chromatography with phosphatidylcholine column (IAM.PC.DD2) and chromatography with end-capped octadecylsilyl (ODS) column using aqueous solutions of acetonitrile as the mobile phases. Using multiple linear regression, we derived the statistically significant quantitative structure-activity relationships. All these QSAR equations were validated and were found to be very good. The investigations highlight the significance and possibilities of liquid chromatographic techniques with three different reversed-phase materials and QSARs methods in predicting the pharmacokinetic properties of our important organic compounds and reducing unethical animal testing.


2000 ◽  
Vol 72 (11) ◽  
pp. 2641-2647 ◽  
Author(s):  
Haiteng Deng ◽  
Gary J. Van Berkel ◽  
Hajime Takano ◽  
Daniel Gazda ◽  
Marc D. Porter

Molecules ◽  
2020 ◽  
Vol 25 (17) ◽  
pp. 3848
Author(s):  
Jingya Ruan ◽  
Lu Qu ◽  
Wei Zhao ◽  
Chang Gao ◽  
Peijian Huang ◽  
...  

Yucca schidigera Roezl (Mojave), a kind of ornamental plant belonging to the Yucca genus (Agavaceae), whose extract exhibits important roles in food, beverage, cosmetic and feed additives owing to its rich spirostanol saponins. To provide a comprehensive chemical profiling of the spirostanol saponins in it, this study was performed by using a multi-phase liquid chromatography method combining a reversed phase chromatography T3 column with a normal phase chromatography silica column for the separation and an ESI-Q-Exactive-Orbitrap MS in positive ion mode as the detector. By comparing the retention time and ion fragments with standards, thirty-one spirostanol saponins were identified. In addition, according to the summary of the chromatographic retention behaviors and the MS/MS cleavage patterns and biosynthetic pathway, another seventy-nine spirostanol saponins were speculatively identified, forty ones of which were potentially new ones. Moreover, ten novel spirostanol saponins (three pairs of (25R/S)-spirostanol saponin isomer mixtures) were targeted for isolation to verify the speculation. Then, the comprehensive chemical profiling of spirostanol saponins from Y. schidigera was reported here firstly.


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