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Research Profile
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  Faculty Profile  Faculty ProfileLast Modified Time: 04:40:23 PM Tue, 25 Aug 2009 
Dr. Kevin A. Schug
 Contact Information
Dr. Kevin A. Schug Associated Profiles 
Assistant Professor-Chemistry & Biochemistry
 
Contact address   700 Planetarium Pl., Arlington, TX 76019-0065     Office LocationMail Box: 19065, Chemistry and Physics Building, Room No.: 358 
Email  kschug@uta.edu    Contact Number 817-272-3541    Fax No: 817-272-3808    Department Web Page Department Web Page   
Keywords chemistry, electrospray ionization, molecular recognition, chromatography, mass spectrometry, natural products, chiral, guanidine, MALDI   
 Professional Preparation
 DegreeMajorInstitutionYear
 Ph.D.ChemistryVirginia Polytechnic Institute & SU2002
 B.S.ChemistryCollege of William and Mary1998
 Research and Expertise
Research Interests
 
  1. Fundamentals of soft ionization - mass spectrometry (ESI- and MALDI-MS)
  2. Chiral and biomimetic molecular recognition
  3. Chiral, liquid, and gas chromatographic separations
  4. Natural products isolation and characterization

Soft ionization sources, such as electrospray (ESI) and matrix-assisted laser desorption/ionization (MALDI), can be tuned to detect and study noncovalently-bound ionic complexes by mass spectrometry.  This ability, combined with the analytical advantages of speed and sensitivity, allows for an efficient means to study such species under a variety of solution phase and gas phase conditions.  In our lab, we focus on biomimetic and chiral applications to: (i) advance the fundamentals of soft-ionization mass spectrometry and tandem mass spectrometry; (ii) develop novel analytical approaches to extract quantitative and qualitative information; and (iii) evaluate established and novel noncovalent interaction schemes of interest.  Biomimetic systems of interest range from simple small-molecule hydrogen-bonding schemes (e.g., guanidinium – oxoanion interactions) for studying fundamental aspects of ionization to complex cell-related interaction schemes (e.g., RGD - Integrin; drug delivery) with the purpose of advancing analytical capabilities in the biochemical arena.  Chiral recognition systems are of interest for developing useful screening protocols to evaluate new chiral selectors, focusing on extracting quantitative affinity and enantioselectivity information.  Through the course of this work, chromatographic separations and sample preparation techniques play an important role.  Also, active collaborations for acquiring novel molecules (e.g., from peptide synthesis) and complementary binding information (e.g., from NMR and computational means) are key aspects to evaluating and obtaining reliable results in our group.

Natural products isolation and characterization is important  for the discovery of new lead compounds with variable biochemical activity.  Efforts in our group range from the isolation of toxic constituents from Golden Algae,  known to be responsible for massive fish kills in Texas waterways and worldwide, to studying the wide array of phenolic and polyphenolic molecules in different fruits and vegetables, known to exhibit beneficial antioxidant and anticarcoinogenic properties.  The nature of this research draws on our combined expertise in chromatography and mass spectrometry.  A main goal is the isolation of such compounds for use as standards in quantitative analysis and biochemical activity studies.


ESI-MS INVESTIGATION OF MODEL CHIRAL BIVALENT RECOGNITION SYSTEMS
 
ASMS07 Poster
A molecule with two or more equivalent functional sites,
displaying multiple copies of an identical unit, is said to be
multivalent [1]. Multivalent interactions profit from an enhancement
in favorable enthalpic contributions to binding, while unfavorable
entropic costs may be similar to those observed for the monovalent
interactions. The potential for increased enantioselectivity in
multivalent chiral recognition systems makes their investigation of
interest for the development of new chiral selector molecules [2].
Here, we investigate the applicability of ESI-MS titrations and
collision threshold MS/MS methods for measuring the increased
affinity and selectivity exhibited by bivalent chiral receptors for
mono- and bivalent chiral ligands and their stereoisomers.

toggle toggle Publications
  Category    Type  Publications per page   1  2 3 4 5 6 
  YearPublication  Type
In Press
"Practical Investigation of Molecular and Biomolecular Noncovalent Recognition Processes in Solution by ESI-MS," Schug, K.A. In: Santos, L.S. (Ed.) Reactive Intermediates:  MS Investigations in Solution. Wiley-VCH. ISBN: 978-3-527-32351-7
Category: Book Chapter
 
In Press
"High Throughput Multiplexed Method for Evaluation of Enantioselective Performance of Chiral Selectors by HPLC-ESI-MS and Dynamic Titration:  Cinchona Alkaloid Carbamates Discriminating N-blocked Amino Acids." Frycak, P.; Schug, K.A.*  Chirality (In Press). doi: 10.1002/chir.20691.
Category: Research Article
 
In Press
"Development of Aliphatic Biodegradable Photoluminescent Polymers," Yang, J.;* Zhang, Y.; Gautam, S.; Liu, L.; Dey, J.; Chen, W.; Mason, R.P.; Serrano, C.A.; Schug, K.A.; Tang, L. Proc. Nat. Acad. Sci. USA (In Press).
Category: Research Article
 
In Press
"Using Multivariate Statistical Methods to Model ESI Response of GXG Tripeptides based on Multiple Physicochemical Parameters." Raji, M.A.; Temiyasathit, C.; Kim, S.B.; Mavromaras, G.; Ahn, J.-M.; Schug, K.A.* Rapid Commun. Mass Spectrom. (In Press)
Category: Research Article
 
In Press
"Hemolysis, Fish Mortality, and LC-ESI-MS of Cultured Crude and Fractionated Golden Alga (Prymnesium parvum)." Schug, K.A.;* Skingel, T.R.; Spencer, S.E.; Serrano, C.; Le, C.Q.; Schug, C.A.; Valenti Jr., T.W.; Brooks, B.W.; Mydlarz, L.D.; Grover, J.P. J. Amer. Water Res. Assoc. (In Press).
Category: Research Article
 
 Presentations and Projects
Summary    2001 - Present

Total Abstracts:  78 (10 Different Countries)         Posters: 46          Oral Presentations (KS): 30 (22 Invited Lectures) 


 Affiliations
Awards
2008 Top 5 Finalist, Emerging Leader in Chromatography (international competition sponsored by LCGC Magazine)
2009 Emerging Leader in Chromatography (international competition sponsored by LCGC Magazine)
2009 NSF CAREER Award
Journal Affiliations
Editorial Advisory Board, Journal of Separation Science (Wiley)
Other
ChromAcademy Dean, HPLC (Crawford Scientific and LCGC) (http://www.chromacademy.com/)
Professional Societies
American Chemical Society
American Society for Mass Spectrometry
Phi Lambda Upsilon Honor Chemical Society, Alpha Theta Chapter
Kappa Sigma Fraternity, Nu Chapter Alumnus
 Appointments
DurationRankDepartment / SchoolCollege / OfficeUniversity / Company
2005-currentAssistant ProfessorDepartment of Chemistry & BiochemistryCollege of ScienceThe University of Texas at Arlington
2003-2005Post-Doctoral FellowDepartment of Analytical Chemistry and Food Chemistry University of Vienna, Vienna, Austria
1998-2002Graduate StudentDeptartment of ChemistryCollege of ScienceVirginia Tech, Blacksburg, VA USA
 Synergistic Activities
University Committees

President's Sustainability Committee (link) (2007 - Present) (Workgroup on Curriculum, Research, and Community Engagement; white paper)


Other Activities
Mentor for Robert A. Welch Foundation Summer Scholar Program (2006 - 2009)
Mentor for NSF LSAMP Undergraduate Exchange Program (2006 - 2009)
Reviewer for Conference on Southern Graduate Schools (CSGS) Master's Thesis Award
(2005, 2006)

Departmental Committees
Appointment and Promotion of Research Faculty (2006 – Present)
Undergraduate Studies (2005 – Present)
Graduate Studies (2005 – Present)
Faculty Search Committees (2005, 2006, 2007)
Graduate Recruiting Committee (2005 – Present)

Mass Spectrometry Analysis Facility
Founder and director of Department of Chemistry and Biochemistry Mass spectrometry Analysis Facility, offering analytical mass analysis of organic and inorganic molecular compounds. [See 'Associated Profiles' above in the Contact Information section]

 Support
 DurationTitleSponsorAmountStatus
9/2008-9/2011Metals in Environmental and Biological Systems. A Rational Approach to Sample Pretreatment and Analysis. (Dasgupta, PI)National Science Foundation (CHE-0821969)$500,000 ($108,000 KAS)Current
9/2007-12/31/2008Essential Research towards Malaria Control Strategies: Characterization of African Mosquitoes (Anopheles gambiae) based on Cuticular Hydrocarbon ProfilesU.T.-Arington Research Enhancement Program$9,699Previous
9/1/2007-8/31/2009Total Determination of Toxic Constituents from Golden Alga (Prymnesium parvum)Texas Parks and Wildlife Golden Alga Task Force$90,073Current
7/2009-7/2014CAREER: Quantitative Characterization of Noncovalent Interactions by Mass Spectrometry - A Systematic ApproachNational Science Foundation (CHE-0846310)$550,000Current
6/2007-presentProteomics and Natural Products Research and Education Using HPLC-IT-TOF-MS (Acquisition of Shimadzu HPLC-ESI-IT-TOF-MS instrument)Shimadzu Equipment Grants for Research (Shimadzu Scientific Instruments, Inc., Columbia, MD)$200,000Current
6/2006-9/2007“Isolation of Prymnesin (Prymnesium parvum) Analytical Standards for Research on Golden Algae Toxicity”Texas Parks and Wildlife Department Golden Alga Task Force$39,936Previous
5/2006-5/2007“Evolving New Cancer Therapeutics based on RGD – Integrin Cellular Interactions”UTA – UTD Joint Institutional Seed Research Program$20,000Previous
 Teaching
 
CHEM 2285 - Quantitative Analysis Laboratory
Fall 2009

Develop proficiency with both theoretical basis and practical laboratory methods of quantitative chemical analysis including the usage of computers for data analysis and presentation. The techniques include: sampling, statistics, spectrophotometry, and titrations.

The student laboratory manual for the CHEM 2285 is available here electronically .


Download Syllabus (164.16KB. This syllabus was uploaded Tuesday 25th, August 2009 04:38:03 PM and is subject to change.)
Contact Information
Chemistry and Physics Building, #358
Phone: 817-272-3541  Email: kschug@uta.edu

 
CHEM 4461 - Instrumental Analysis Laboratory
Fall 2009

This course explores the fundamental basis of chemical analysis.  It is designed to give the student a solid conceptual ground to understand how a given analytical technique works; including its limits and advantages.  The emphasis is on solutions analysis and the course is roughly divided into:  (i) Basic measurements and concepts; (ii) spectroscopy; and (iii) chromatography and mass spectrometry.

The student laboratory manual for the CHEM 4461 is available here electronically .


Download Syllabus (126.77KB. This syllabus was uploaded Tuesday 25th, August 2009 10:13:54 AM and is subject to change.)
Contact Information
Chemistry and Physics Building, #358
Phone: 817-272-3541  Email: kschug@uta.edu


For the Official List of Courses for registration, please visit MyMav - Schedule of Classes
 Partial List of Equipment
Thermo LCQ Deca XP ESI-IT-MS
Description

Bruker Daltonics Autoflex MALDI-TOF-MS
Description

Shimadu HPLC-ESI-IT-TOF-MS
Description

 Collaborators
Prof. Wolfgang Lindner and Dr. Norbert M. Maier, University of Vienna
Research Group

Research group for Molecular Recognition Materials, Separation Science & Mass Spectrometry

Department of Analytical Chemistry and Food Chemistry, University of Vienna, Vienna, Austria


Dr. Jung-Mo Ahn, University of Texas at Dallas
Faculty and Research Page

Peptide and peptidomimetic sythesis

Department of Chemistry, The University of Texas at Dallas, Richardson, TX


 
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