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College of Arts and Sciences


Chemistry and Biochemistry Seminar

Friday, March 24, 2017 - 4:00pm

Location: Jones Physical Science Center, Room 006

Speaker: Dr. Touradj Solouki, Department of Chemistry and Biochemistry, Baylor University, Waco, TX

Topic: Multidimensional & High-Throughput Mass Spectrometry Techniques for X-omics Studies

Abstract: Mass spectrometry (MS) offers unparalleled advantages of ultrahigh sensitivity, ultrahigh resolving power, and wide dynamic range for analyses of complex biological and environmental samples. Moreover, ability to combine advantages of available analytical methods, such as ion-molecule reactions and other separation techniques, makes

MS-based sample characterization ideal for x-omics (e.g., genomics, lipidomics, metabolomics, petroleomics, proteomics, etc.) studies. For instance, ion mobility (IM) spectrometry coupled to MS offers many advantages for characterization of complex sample mixtures. One of the primary advantages of this gas-phase IM separation over other complimentary liquid-phase separation approaches is its time-saving aspect. Ion mobility separation can occur in millisecond time-scales; hence, coupled to MS, ion mobility is quite suitable for high-throughput characterization of “real-world” complex samples.

One of the undesirable shortcomings of conventional IM devices is their relatively low analytical resolving power. Recent technical developments have improved IM resolving powers; however, challenges remain for separating closely related isomeric compounds and/or molecules that have similar three dimensional shapes. Ion mobility peak convolution is particularly challenging for x-omics studies, where a large number of potentially indistinguishable molecules must be cataloged. There are two main approaches to address issues related to IM “co-eluting” or unresolved ions: (i) improving instrumental design and (ii) enhancing data analyses. Several research groups are continuing to introduce new IM instrumental designs and methodologies that provide opportunities to resolve IM overlapping peak. Another option for improving data quality and taking full advantage of orthogonal aspects of IM is to utilize statistical and chemometrics methods to enhance analysis of IM-MS data [1]. Such post data-acquisition improvements can be applied to data acquired from different instruments and hence can have a potentially broader analytical impact.

In this presentation, advantages of utilizing multidimensional techniques and enhanced data analyses for characterization of complex mixtures will be discussed. For instance, examples of using tandem library searchers for unknown identification in metabolomics studies will be presented.

In addition, methods for deconvoluting IM overlapping isomers, that utilize post-ion mobility collision induced dissociation (CID), will be presented. Moreover, automated identification of potential IM overlapping species [2] for non-targeted characterization of complex mixtures will be discussed and examples from deconvolution of IM overlapping peptides, proteins, oligosaccharides, and petroleum samples will be provided. Presented results from high-resolution MS and chemometrics deconvolution of IM-unresolved species will demonstrate the powerful capabilities of multidimensional IM-MS for high-throughput sample characterization in x-omics research.

 

Sponsored by the College of Arts and Sciences and the Department of Chemistry and Biochemistry


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