Oña-Ruales Jorge O, Sander Lane C, Wilson Walter B, Wise Stephen A
Chemical Sciences Division, National Institute of Standards and Technology (NIST), 100 Bureau Dr. MS 8392, Gaithersburg, MD, 20899, USA.
Department of Chemical Engineering, Nazarbayev University, Astana, Kazakhstan, 010000.
Anal Bioanal Chem. 2018 Jan;410(3):885-896. doi: 10.1007/s00216-017-0456-x. Epub 2017 Jun 28.
The relationship of reversed-phase liquid chromatography (RPLC) retention on a polymeric C stationary phase and the shape of polycyclic aromatic hydrocarbons (PAHs) was investigated for three-ring to seven-ring cata-condensed isomers. We report the first RPLC separation for six-ring and seven-ring cata-condensed PAH isomers. Correlations of LC retention and shape parameters (length-to-breath ratio, L/B and thickness, T) were investigated for 2 three-ring isomers (molecular mass 178 Da), 5 four-ring isomers (molecular mass 228 Da), 11 five-ring isomers (molecular mass 278 Da), 17 six-ring isomers (molecular mass 328 Da), and 20 seven-ring isomers (molecular mass 378 Da). Significant linear correlations were found for all isomer groups (r = 0.71 to 0.94). Nonplanarity of the PAH isomers was found to influence retention (i.e., nonplanar isomers eluting earlier than expected based on L/B) and linear correlations of retention vs. T for isomer groups containing nonplanar isomers were significant (r = 0.71 to 0.86). Graphical abstract.
研究了三环至七环并缩合异构体在聚合物C固定相上的反相液相色谱（RPLC）保留行为与多环芳烃（PAHs）形状之间的关系。我们报道了六环和七环并缩合PAH异构体的首次RPLC分离。研究了2种三环异构体（分子量178 Da）、5种四环异构体（分子量228 Da）、11种五环异构体（分子量278 Da）、17种六环异构体（分子量328 Da）和20种七环异构体（分子量378 Da）的液相色谱保留行为与形状参数（长宽比，L/B和厚度，T）之间的相关性。发现所有异构体组均存在显著的线性相关性（r = 0.71至0.94）。发现PAH异构体的非平面性会影响保留行为（即，非平面异构体的洗脱时间比基于L/B预期的要早），并且对于包含非平面异构体的异构体组，保留行为与T之间的线性相关性显著（r = 0.71至0.86）。图形摘要。
