Shvartsburg, A. A.; Jarrold, M. F. An exact hard-spheres scattering model for the mobilities of polyatomic ions. Chem. Phys. Lett. 1996, 261, 86-91, 10.1016/0009-2614(96)00941-4
Mesleh, M. F.; Hunter, J. M.; Shvartsburg, A. A.; Schatz, G. C.; Jarrold, M. F. Structural Information from Ion Mobility Measurements: Effects of the Long-Range Potential. J. Phys. Chem. 1996, 100, 16082-16086, 10.1021/jp961623v
Bleiholder, C.; Wyttenbach, T.; Bowers, M. T. A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections (I). Int. J. Mass Spectrom. 2011, 308, 1-10, 10.1016/j.ijms.2011.06.014
Alexeev, Y.; Fedorov, D. G.; Shvartsburg, A. A. Effective ion mobility calculations for macromolecules by scattering on electron clouds. J. Phys. Chem. A 2014, 118, 6763-6772, 10.1021/jp505012c
Wu, T.; Derrick, J.; Nahin, M.; Chen, X.; Larriba-Andaluz, C. Optimization of long range potential interaction parameters in ion mobility spectrometry. J. Chem. Phys. 2018, 148, 074102, 10.1063/1.5016170
Larriba, C.; Hogan, C. J. Ion mobilities in diatomic gases: Measurement versus prediction with non-specular scattering models. J. Phys. Chem. A 2013, 117, 3887-3901, 10.1021/jp312432z
De Winter, J.; Lemaur, V.; Ballivian, R.; Chirot, F.; Coulembier, O.; Antoine, R.; Lemoine, J.; Cornil, J.; Dubois, P.; Dugourd, P.; Gerbaux, P. Size dependence of the folding of multiply charged sodium cationized polylactides revealed by ion mobility mass spectrometry and molecular modelling. Chem.-Eur. J. 2011, 17, 9738-9745, 10.1002/chem.201100383
Morsa, D.; Defize, T.; Dehareng, D.; Jérôme, C.; De Pauw, E. Polymer topology revealed by ion mobility coupled with mass spectrometry. Anal. Chem. 2014, 86, 9693-9700, 10.1021/ac502246g
Trimpin, S.; Plasencia, M.; Isailovic, D.; Clemmer, D. E. Resolving oligomers from fully grown polymers with IMS-MS. Anal. Chem. 2007, 79, 7965-7974, 10.1021/ac071575i
Duez, Q.; Josse, T.; Lemaur, V.; Chirot, F.; Choi, C. M.; Dubois, P.; Dugourd, P.; Cornil, J.; Gerbaux, P.; De Winter, J. Correlation between the shape of the ion mobility signals and the stepwise folding process of polylactide ions. J. Mass Spectrom. 2017, 52, 133-138, 10.1002/jms.3915
Duez, Q.; Liénard, R.; Moins, S.; Lemaur, V.; Coulembier, O.; Cornil, J.; Gerbaux, P.; De Winter, J. One step further in the characterization of synthetic polymers by ion mobility mass spectrometry: Evaluating the contribution of end-groups. Polymers (Basel, Switz.) 2019, 11, 688, 10.3390/polym11040688
Larriba, C.; Fernandez De La Mora, J. The gas phase structure of coulombically stretched polyethylene glycol ions. J. Phys. Chem. B 2012, 116, 593-598, 10.1021/jp2092972
Tintaru, A.; Chendo, C.; Wang, Q.; Viel, S.; Quéléver, G.; Peng, L.; Posocco, P.; Pricl, S.; Charles, L. Conformational sensitivity of conjugated poly(ethylene oxide)-poly(amidoamine) molecules to cations adducted upon electrospray ionization-A mass spectrometry, ion mobility and molecular modeling study. Anal. Chim. Acta 2014, 808, 163-174, 10.1016/j.aca.2013.08.030
Gidden, J.; Wyttenbach, T.; Batka, J. J.; Weis, P.; Bowers, M. T. Poly(ethylene terephthalate) Oligomers Cationized by Alkali Ions: Structures, Energetics, and Their Effect on Mass Spectra and the Matrix-Assisted Laser Desorption/Ionization Process. J. Am. Soc. Mass Spectrom. 1999, 10, 883-895, 10.1016/S1044-0305(99)00054-9
Gidden, J.; Jackson, A. T.; Scrivens, J. H.; Bowers, M. T. Gas phase conformations of synthetic polymers: poly (methyl methacrylate) oligomers cationized by sodium ions. Int. J. Mass Spectrom. 1999, 188, 121-130, 10.1016/S1387-3806(98)14287-2
Gidden, J.; Wyttenbach, T.; Jackson, A. T.; Scrivens, J. H.; Bowers, M. T. Gas-Phase Conformations of Synthetic Polymers: Poly (ethylene glycol), Poly (propylene glycol), and Poly (tetramethylene glycol). J. Am. Chem. Soc. 2000, 122, 4692-4699, 10.1021/ja993096+
Gidden, J.; Bowers, M. T.; Jackson, A. T.; Scrivens, J. H. Gas-phase conformations of cationized poly(styrene) oligomers. J. Am. Soc. Mass Spectrom. 2002, 13, 499-505, 10.1016/S1044-0305(02)00367-7
Wyttenbach, T.; von Helden, G.; Bowers, M. T. Conformations of alkali ion cationized polyethers in the gas phase: polyethylene glycol and bis[(benzo-15-crown-5)-15-ylmethyl] pimelate. Int. J. Mass Spectrom. Ion Processes 1997, 165-166, 377-390, 10.1016/S0168-1176(97)00179-1
Kim, K.; Lee, J. W.; Chang, T.; Kim, H. I. Characterization of polylactides with different stereoregularity using electrospray ionization ion mobility mass spectrometry. J. Am. Soc. Mass Spectrom. 2014, 25, 1771-1779, 10.1007/s13361-014-0949-1
Haler, J. R. N.; Morsa, D.; Lecomte, P.; Jérôme, C.; Far, J.; De Pauw, E. Predicting Ion Mobility-Mass Spectrometry trends of polymers using the concept of apparent densities. Methods 2018, 144, 125-133, 10.1016/j.ymeth.2018.03.010
Haler, J. R. N.; Kune, C.; Massonnet, P.; Comby-Zerbino, C.; Jordens, J.; Honing, M.; Mengerink, Y.; Far, J.; De Pauw, E. Comprehensive Ion Mobility Calibration: Poly(ethylene oxide) Polymer Calibrants and General Strategies. Anal. Chem. 2017, 89, 12076-12086, 10.1021/acs.analchem.7b02564
Sun, H. COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase Applications Overview with Details on Alkane and Benzene Compounds. J. Phys. Chem. B 1998, 102, 7338-7364, 10.1021/jp980939v
Mayo, S. L.; Olafson, B. D.; Goddard, W. A. DREIDING: A generic force field for molecular simulations. J. Phys. Chem. 1990, 94, 8897-8909, 10.1021/j100389a010
Decroo, C.; Colson, E.; Lemaur, V.; Caulier, G.; De Winter, J.; Cabrera-Barjas, G.; Cornil, J.; Flammang, P.; Gerbaux, P. Ion mobility mass spectrometry of saponin ions. Rapid Commun. Mass Spectrom. 2019, 33, 22, 10.1002/rcm.8193
Haler, J. R. N.; Far, J.; Aqil, A.; Claereboudt, J.; Tomczyk, N.; Giles, K.; Jérôme, C.; De Pauw, E. Multiple Gas-Phase Conformations of a Synthetic Linear Poly(acrylamide) Polymer Observed Using Ion Mobility-Mass Spectrometry. J. Am. Soc. Mass Spectrom. 2017, 28, 2492-2499, 10.1007/s13361-017-1769-x
Wyttenbach, T.; Von Helden, G.; Batka, J. J.; Carlat, D.; Bowers, M. T. Effect of the long-range potential on ion mobility measurements. J. Am. Soc. Mass Spectrom. 1997, 8, 275-282, 10.1016/S1044-0305(96)00236-X
Haler, J. R. N.; Béchet, E.; Far, J.; De Pauw, E. Geometric Analysis of Shapes in Ion Mobility-Mass Spectrometry. ChemRxiv. 2019, 1-32, 10.26434/chemrxiv.9758057.v1
von Helden, G.; Wyttenbach, T.; Bowers, M. T. Inclusion of a MALDI ion source in the ion chromatography technique: conformational information on polymer and biomolecular ions. Int. J. Mass Spectrom. Ion Processes 1995, 146-147, 349-364, 10.1016/0168-1176(95)04211-3
Gidden, J.; Wyttenbach, T.; Batka, J. J.; Weis, P.; Jackson, A. T.; Scrivens, J. H.; Bowers, M. T. Folding energetics and dynamics of macromolecules in the gas phase: Alkali ion-cationized poly(ethylene terephthalate) oligomers [22]. J. Am. Chem. Soc. 1999, 121, 1421-1422, 10.1021/ja9831047
Poyer, S.; Comby-Zerbino, C.; Choi, C. M.; Macaleese, L.; Deo, C.; Bogliotti, N.; Xie, J.; Salpin, J. Y.; Dugourd, P.; Chirot, F. Conformational Dynamics in Ion Mobility Data. Anal. Chem. 2017, 89, 4230-4237, 10.1021/acs.analchem.7b00281
Kune, C.; Far, J.; De Pauw, E. Accurate drift time determination by traveling wave ion mobility spectrometry: The concept of the diffusion calibration. Anal. Chem. 2016, 88, 11639-11646, 10.1021/acs.analchem.6b03215
Rossi, M.; Blum, V.; Kupser, P.; Von Helden, G.; Bierau, F.; Pagel, K.; Meijer, G.; Scheffler, M. Secondary structure of Ac-Alan-LysH+ polyalanine peptides (n = 5,10,15) in vacuo: Helical or not?. J. Phys. Chem. Lett. 2010, 1, 3465-3470, 10.1021/jz101394u
Warnke, S.; Hoffmann, W.; Seo, J.; De Genst, E.; von Helden, G.; Pagel, K. From Compact to String-The Role of Secondary and Tertiary Structure in Charge-Induced Unzipping of Gas-Phase Proteins. J. Am. Soc. Mass Spectrom. 2017, 28, 638-646, 10.1007/s13361-016-1551-5
Warnke, S.; Seo, J.; Boschmans, J.; Sobott, F.; Scrivens, J. H.; Bleiholder, C.; Bowers, M. T.; Gewinner, S.; Schöllkopf, W.; Pagel, K.; Von Helden, G. Protomers of benzocaine: Solvent and permittivity dependence. J. Am. Chem. Soc. 2015, 137, 4236-4242, 10.1021/jacs.5b01338
Giles, K.; Ujma, J.; Wildgoose, J.; Green, M. R.; Richardson, K.; Langridge, D.; Tomczyk, N. Design and Performance of a Second-Generation Cyclic Ion Mobility Enabled Q-ToF. 65th ASMS Conference on Mass Spectrometry and Allied Topics; 2017.
Giles, K.; Ujma, J.; Wildgoose, J.; Pringle, S.; Richardson, K.; Langridge, D.; Green, M. A Cyclic Ion Mobility-Mass Spectrometry System. Anal. Chem. 2019, 91, 8564, 10.1021/acs.analchem.9b01838