title: Identifying the tobacco related free radicals by UPCC-QTOF-MS with radical trapping method in mainstream cigarette smoke.
abstract: Tobacco related free radicals (TFRs) in the cigarette smoke are specific classes of hazardous compounds that merit concern. In this study, we developed a hybrid method to identify TFRs directly based on ultra-performance convergence chromatography with a quadrupole time-of-flight mass spectrometry (UPCC-QTOF MS) combined spin trapping technique. The short-lived TFRs were stabilized successfully in situ through spin trapping procedure and UPCC was applied to facilitate efficient separation of complex derivative products. Coupling of orthogonal partial least squares discriminant analysis (OPLS-DA), UPCC-QTOF MS system enabled us to identify specific potential TFRs with exact chemical formula. Moreover, computational stimulations have been carried out to evaluate the optimized stability of TFRs. This work is a successful demonstration for the application of an advanced hyphenated technique for separation of TFRs with short detection time (less than 7min) and high throughput.
authors: Shanghai Key Lab of Chemical Assessment and Sustainability, College of Chemical Science and Engineering, College of Environmental Science & Engineering, Tongji University, Shanghai 200092, China; Technology Center, Shanghai Tobacco Group Corporation Limited, Shanghai 200082, China.
authors: Ying
authors: Y
authors: Wang
authors: Shanghai Key Lab of Chemical Assessment and Sustainability, College of Chemical Science and Engineering, College of Environmental Science & Engineering, Tongji University, Shanghai 200092, China.
authors: Misha
authors: M
authors: Liu
authors: Shanghai Key Lab of Chemical Assessment and Sustainability, College of Chemical Science and Engineering, College of Environmental Science & Engineering, Tongji University, Shanghai 200092, China.
authors: Yingjing
authors: Y
authors: Zhu
authors: Shanghai Key Lab of Chemical Assessment and Sustainability, College of Chemical Science and Engineering, College of Environmental Science & Engineering, Tongji University, Shanghai 200092, China.
authors: Kuan
authors: K
authors: Cheng
authors: Technology Center, Shanghai Tobacco Group Corporation Limited, Shanghai 200082, China.
authors: Da Wu
authors: Technology Center, Shanghai Tobacco Group Corporation Limited, Shanghai 200082, China.
authors: Baizhan
authors: B
authors: Liu
authors: Shanghai Key Lab of Chemical Assessment and Sustainability, College of Chemical Science and Engineering, College of Environmental Science & Engineering, Tongji University, Shanghai 200092, China.
authors: Fengting
authors: F
authors: Li
mesh_terms: D000393:Air Pollutants / Q000032:analysis; D003497:Cyclic N-Oxides / Q000737:chemistry*; D016166:Free Radical Scavengers / Q000737:chemistry*; D005609:Free Radicals / Q000032:analysis*; D013058:Mass Spectrometry / Q000379:methods; D012906:Smoke / Q000032:analysis*; D062789:Tobacco Products
chemical_list: D000393:Air Pollutants; D003497:Cyclic N-Oxides; D016166:Free Radical Scavengers; D005609:Free Radicals; D012906:Smoke; C029217:phenyl-N-tert-butylnitrone
keywords: Cigarette smoke; Radicals; Spin trapping; Ultra-performance convergence chromatography