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Ion mobility - mass spectrometry for...

Chouinard, Christopher Donald.

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Ion mobility - mass spectrometry for improved metabolomics separations: Experimental and theoretical approaches.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Ion mobility - mass spectrometry for improved metabolomics separations: Experimental and theoretical approaches./
Author:	Chouinard, Christopher Donald.
Published:	Ann Arbor : ProQuest Dissertations & Theses, : 2016,
Description:	160 p.
Notes:	Source: Dissertation Abstracts International, Volume: 78-07(E), Section: B.
Contained By:	Dissertation Abstracts International78-07B(E).
Subject:	Analytical chemistry. -
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=10408788
ISBN:	9781369597851

Ion mobility - mass spectrometry for improved metabolomics separations: Experimental and theoretical approaches.
Chouinard, Christopher Donald.

Ion mobility - mass spectrometry for improved metabolomics separations: Experimental and theoretical approaches. - Ann Arbor : ProQuest Dissertations & Theses, 2016 - 160 p.

Source: Dissertation Abstracts International, Volume: 78-07(E), Section: B.

Thesis (Ph.D.)--University of Florida, 2016.

Ion mobility spectrometry (IMS) is a gas-phase separation technique that differentiates ions based on their relative size, shape, and charge. IMS benefits from its speed (acquisition time <100 ms) and ability to resolve isomers, which are often difficult to separate with chromatography/mass spectrometry. Historically, IMS has been used as a tool for rapid screening in defense applications and for structural characterization of macromolecules, but more recently IMS has seen increased utility in small molecule and clinical applications. This research focuses on IMS analysis of steroid-based compounds, including strategies developed to improve separation.

ISBN: 9781369597851Subjects--Topical Terms:

3168300
Analytical chemistry.

Ion mobility - mass spectrometry for improved metabolomics separations: Experimental and theoretical approaches.
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100 1 $a Chouinard, Christopher Donald. $3 3281924
245 1 0 $a Ion mobility - mass spectrometry for improved metabolomics separations: Experimental and theoretical approaches.
260 1 $a Ann Arbor : $b ProQuest Dissertations & Theses, $c 2016
300 $a 160 p.
500 $a Source: Dissertation Abstracts International, Volume: 78-07(E), Section: B.
500 $a Adviser: Richard Yost.
502 $a Thesis (Ph.D.)--University of Florida, 2016.
520 $a Ion mobility spectrometry (IMS) is a gas-phase separation technique that differentiates ions based on their relative size, shape, and charge. IMS benefits from its speed (acquisition time <100 ms) and ability to resolve isomers, which are often difficult to separate with chromatography/mass spectrometry. Historically, IMS has been used as a tool for rapid screening in defense applications and for structural characterization of macromolecules, but more recently IMS has seen increased utility in small molecule and clinical applications. This research focuses on IMS analysis of steroid-based compounds, including strategies developed to improve separation.
520 $a Steroids comprise a structurally diverse group of molecules, but are often difficult to analyze due to the presence of isomeric interferences. Herein, IMS is used for rapid differentiation of several endogenous isomeric steroid groups and 25-hydroxyvitamin D3 epimers. Many of these groups may be separated by collision cross section as protonated species [M+H] +, although other groups require utilization of separation strategies such as multimer formation, alternative drift gas introduction, and alkali/alkaline earth metal cationization. Epimers androsterone (CCS = 242.6 A 2) and trans-androsterone (CCS = 256.3 A2) are readily separated as sodiated dimers, a trend that molecular modeling revealed to be attributed to unique binding modes. Moreover, use of large polarizable drift gases, such as carbon dioxide, enhanced separation in many cases including for dehydroepiandrosterone and epitestosterone, which are unresolved with helium, argon, and nitrogen, but better separated employing carbon dioxide. Additionally, cationization can provide increased separation, as this method has been applied to a clinical example, in which the assay for 25-hydroxyvitamin D3 epimers (typically a 4-10 minute LC-MS/MS analysis) can be achieved quantitatively in under 60 ms. Ion mobility also reveals differences in the gas-phase conformations of these sodiated monomers, an unexpected phenomenon that can be exacerbated by addition of larger alkali (e.g., K+, Rb+, Cs+) or alkaline earth metal ions (e.g., Mg+2, Ca+2). In summary, IMS offers rapid separation that can be tailored to compounds/classes of interest based on the previously mentioned strategies, and can also offer gas-phase structural information especially when performed in conjunction with molecular modeling.
590 $a School code: 0070.
650 4 $a Analytical chemistry. $3 3168300
690 $a 0486
710 2 $a University of Florida. $b Chemistry. $3 3281925
773 0 $t Dissertation Abstracts International $g 78-07B(E).
790 $a 0070
791 $a Ph.D.
792 $a 2016
793 $a English
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=10408788