Perspective Metz, Baker, Schymanski et al.
basis sets for use in molecular-orbital studies of organic- molecules. J. Chem. Phys. 56(5), 2257 (1972).
110 Stephens PJ, Devlin FJ, Chabalowski CF, Frisch MJ. Ab- initio calculation of vibrational absorption and circular- dichroism spectra using density-functional force-fields. J. Phys. Chem. 98(45), 11623–11627 (1994).
111 Becke AD. Density-functional thermochemistry. 3. The role of exact exchange. J. Chem. Phys. 98(7), 5648–5652 (1993).
112 Shvartsburg AA, Jarrold MF. An exact hard-spheres scattering model for the mobilities of polyatomic ions. Chem. Phys. Lett. 261(1–2), 86–91 (1996).
113 Campuzano I, Bush MF, Robinson CV et al. Structural characterization of drug-like compounds by ion mobility mass spectrometry: comparison of theoretical and experimentally derived nitrogen collision cross sections. Anal. Chem. 84(2), 1026–1033 (2012).
114 Mesleh MF, Hunter JM, Shvartsburg AA, Schatz GC, Jarrold MF. Structural information from ion mobility measurements: effects of the long-range potential. J. Phys. Chem. 100(40), 16082–16086 (1996).
115 Marklund EG, Degiacomi MT, Robinson CV, Baldwin AJ, Benesch JL. Collision cross sections for structural proteomics. Structure 23(4), 791–799 (2015).
116 Von Helden G, Kemper PR, Gotts NG, Bowers MT. Isomers of small carbon cluster anions: linear chains with up to 20 atoms. Science 259(5099), 1300–1302 (1993).
117 Paglia G, Williams JP, Menikarachchi L et al. Ion mobility derived collision cross sections to support metabolomics applications. Anal. Chem. 86(8), 3985–3993 (2014).
•• Demonstrates the utility of CCS in characterization of small molecules, and report the first comparison of experimental and theoretical CCS in a metabolomics workflow.
118 Rokushika S, Hatano H, Baim MA, Hill HH. Resolution
measurement for ion mobility spectrometry. Anal. Chem. 57(9), 1902–1907 (1985).
119 Deng L, Ibrahim YM, Hamid AM et al. Ultra-high resolution ion mobility separations utilizing traveling waves in a 13-m serpentine path length structures for lossless ion manipulations module. Anal. Chem. 88(18), 8957–8964 (2016).
120 Knapman TW, Berryman JT, Campuzano I, Harris SA, Ashcroft AE. Considerations in experimental and theoretical collision cross-section measurements of small molecules using travelling wave ion mobility spectrometry-mass spectrometry. Int. J. Mass spectrom. 298(1–3), 17–23 (2010).
121 Ridenour WB, Kliman M, Mclean JA, Caprioli RM. Structural characterization of phospholipids and peptides directly from tissue sections by MALDI traveling-wave ion mobility-mass spectrometry. Anal. Chem. 82(5), 1881–1889 (2010).
122 Bush MF, Hall Z, Giles K, Hoyes J, Robinson CV, Ruotolo BT. Collision cross sections of proteins and their complexes: a calibration framework and database for gas-phase structural biology. Anal. Chem. 82(22), 9557–9565 (2010).
123 Gelb AS, Jarratt RE, Huang Y, Dodds ED. A study of calibrant selection in measurement of carbohydrate and peptide ion-neutral collision cross sections by traveling wave ion mobility spectrometry. Anal. Chem. 86(22), 11396– 11402 (2014).
124 Deng L, Ibrahim YM, Hamid AM et al. Ultra-high resolution ion mobility separations utilizing traveling waves in a 13-m serpentine path length structures for lossless ion manipulations module. Anal. Chem. 88(18), 8957–8964 (2016).
125 Metz TO, Page JS, Baker ES et al. High resolution separations and improved ion production and transmission in metabolomics. Trends Analyt. Chem. 27(3), 205–214 (2008).
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Bioanalysis (2017) Bioanalysis (2017) 9(1), 81–98(1)
future science group
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