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Liu C, Le Blanc JC, Schneider BB, et al. Assessing Physicochemical Properties of Drug Molecules via Microsolvation Measurements with Differential Mobility Spectrometry. ACS Cent Sci. 2017;3(2):101-109doi: 10.1021/acscentsci.6b00297.
Liu, C., Le Blanc, J. C., Schneider, B. B., Shields, J., Federico, J. J., Zhang, H., Stroh, J. G., Kauffman, G. W., Kung, D. W., Ieritano, C., Shepherdson, E., Verbuyst, M., Melo, L., Hasan, M., Naser, D., Janiszewski, J. S., Hopkins, W. S., & Campbell, J. L. (2017). Assessing Physicochemical Properties of Drug Molecules via Microsolvation Measurements with Differential Mobility Spectrometry. ACS central science, 3(2), 101-109. https://doi.org/10.1021/acscentsci.6b00297
Liu, Chang, et al. "Assessing Physicochemical Properties of Drug Molecules via Microsolvation Measurements with Differential Mobility Spectrometry." ACS central science vol. 3,2 (2017): 101-109. doi: https://doi.org/10.1021/acscentsci.6b00297
Liu C, Le Blanc JC, Schneider BB, Shields J, Federico JJ, Zhang H, Stroh JG, Kauffman GW, Kung DW, Ieritano C, Shepherdson E, Verbuyst M, Melo L, Hasan M, Naser D, Janiszewski JS, Hopkins WS, Campbell JL. Assessing Physicochemical Properties of Drug Molecules via Microsolvation Measurements with Differential Mobility Spectrometry. ACS Cent Sci. 2017 Feb 22;3(2):101-109. doi: 10.1021/acscentsci.6b00297. Epub 2017 Feb 10. PMID: 28280776; PMCID: PMC5324087.
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ACS Cent Sci. 2017 Feb 22;3(2):101-109. doi: 10.1021/acscentsci.6b00297. Epub 2017 Feb 10.

Assessing Physicochemical Properties of Drug Molecules via Microsolvation Measurements with Differential Mobility Spectrometry.

ACS central science

Chang Liu, J C Yves Le Blanc, Bradley B Schneider, Jefry Shields, James J Federico, Hui Zhang, Justin G Stroh, Gregory W Kauffman, Daniel W Kung, Christian Ieritano, Evan Shepherdson, Mitch Verbuyst, Luke Melo, Moaraj Hasan, Dalia Naser, John S Janiszewski, W Scott Hopkins, J Larry Campbell

Affiliations

  1. SCIEX , 71 Four Valley Drive, Concord, Ontario, L4K 4V8, Canada.
  2. Pfizer Global Research and Development , Eastern Point Road, Groton, Connecticut 06340, United States.
  3. Department of Chemistry, University of Waterloo , 200 University Avenue West, Waterloo, Ontario, N2L 3G1, Canada.
  4. SCIEX, 71 Four Valley Drive, Concord, Ontario, L4K 4V8, Canada; Department of Chemistry, University of Waterloo, 200 University Avenue West, Waterloo, Ontario, N2L 3G1, Canada.

PMID: 28280776 PMCID: PMC5324087 DOI: 10.1021/acscentsci.6b00297

Abstract

The microsolvated state of a molecule, represented by its interactions with only a small number of solvent molecules, can play a key role in determining the observable bulk properties of the molecule. This is especially true in cases where strong local hydrogen bonding exists between the molecule and the solvent. One method that can probe the microsolvated states of charged molecules is differential mobility spectrometry (DMS), which rapidly interrogates an ion's transitions between a solvated and desolvated state in the gas phase (i.e., few solvent molecules present). However, can the results of DMS analyses of a class of molecules reveal information about the bulk physicochemical properties of those species? Our findings presented here show that DMS behaviors correlate strongly with the measured solution phase p

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