Interview with Prof. Kevin A. Schug

Significance of the Topic

The investigation of bioactive compound separation and environmental impact analysis addresses critical challenges in clinical diagnostics and ecological monitoring. Advances in ultra trace analysis enable detection of hormones at ppt levels and analysis of water quality near unconventional drilling sites. This knowledge supports informed decision making in healthcare treatment and environmental policy.

Objectives and Overview

This article reports on the collaborative research between a university analytical chemistry group and an instrumentation partner since 2012. The dual focus encompasses development of high sensitivity methods for estrogen quantification in biological fluids and comprehensive surveys of groundwater near hydraulic fracturing activities. The goal is to establish reliable workflows for trace quantification and to objectively assess potential environmental effects of modern gas and oil extraction.

Methodology and Used Instrumentation

The research employs both off line and on line sample preparation techniques combined with advanced chromatographic and mass spectrometric analysis. Method development included restricted access media based trap and elute liquid chromatography for direct injection of biological fluids reducing sample handling time. Analytical instruments encompass a wide array of systems from the partner vendor ensuring broad capability.
Instruments used

• CoSense system with triple quadrupole mass spectrometer for ultra sensitive detection of estrogens
• LCMS IT TOF for high resolution and accurate mass measurement
• Gas chromatography with vacuum ultraviolet detector and GC MS for volatile contaminant profiling
• Headspace GC FID and bidetector for light hydrocarbons analysis
• Inductively coupled plasma optical emission spectrometry for trace metal quantification
• Total organic carbon and total nitrogen analyzers for bulk water quality metrics

Main Results and Discussion

High performance workflows achieved low ppt detection limits for estrogens in plasma and cerebrospinal fluid enabling studies of hormone therapy in traumatic brain injury. Fundamental investigations optimized trapping efficiency of restricted access media enhancing method robustness. The groundwater survey analyzed over eight hundred well water samples in regions of unconventional drilling. Initial findings revealed indirect impacts on water quality in North Texas. Ongoing surveys include time course sampling before during and after drilling operations providing comprehensive temporal assessment. Combined targeted and untargeted strategies uncovered organic and inorganic constituents related to extraction activities.

Benefits and Practical Applications

The ultra sensitive estrogen assays facilitate clinical research on hormone therapies and inform dosing in neurology. Automated on line sample preparation increases throughput and reproducibility in clinical laboratories. Groundwater analysis methods offer regulatory authorities reliable tools to monitor environmental impacts of oil and gas extraction. Integration of targeted screening and full scan approaches enables rapid detection of unexpected contaminants supporting public health protection.

Future Trends and Possibilities

Emerging mass spectrometry technologies will further lower detection limits and expand the range of detectable biomarkers. Integration of machine learning with untargeted data mining can accelerate discovery of novel environmental contaminants. Field deployable systems with simplified interfaces may allow real time monitoring of water and biological samples. Collaborative partnerships between academia and instrumentation providers will drive tailored solutions for complex analytical problems.

Conclusion

The partnership between the analytical chemistry research group and the instrument vendor has yielded innovative methodologies for trace analysis of bioactive compounds and environmental contaminants. The work demonstrates how cutting edge instrumentation combined with methodical development can address high impact clinical and ecological challenges. Continued collaboration promises to advance analytical capabilities and provide critical insights in human health and environmental safety.

Reference

1. Beinhauer J Barrera JA Sebela M Kukula M Fan H Schug KA Bulk derivatization and cation exchange restricted access media based trap and elute liquid chromatography mass spectrometry method for determination of trace estrogens in serum Anal Chim Acta 2015 858 74 81
2. Schug KA Sawicki I Carlton DD Fan H McNair HM Nimmo JP Kroll P Smuts J Walsh P Harrison D A vacuum ultraviolet detector for gas chromatography Anal Chem 2014 86 8329 8335
3. Papouskova B Fan H Lemr K Schug KA Aspects of trapping efficiency and matrix effects in development of a restricted access media based trap and elute liquid chromatography mass spectrometry method J Sep Sci 2014 37 2192 2199
4. Fan H Papouskova B Lemr K Wigginton JG Schug KA Bulk derivatization and direct injection of human cerebrospinal fluid for trace level quantification of endogenous estrogens using trap and elute LC MS MS J Sep Sci 2014 37 2010 2017
5. Barnes JS Schug KA Oxidative degradation of quercetin with hydrogen peroxide using continuous flow kinetic electrospray ion trap time of flight mass spectrometry J Agric Food Chem 2014 62 4322 4331
6. Nguyen HP Chandel NS DeBerardinis RJ Schug KA Hydrophilic interaction liquid chromatography tandem mass spectrometry to detect and quantify dicarboxyethyl glutathione a metabolic biomarker of fumarate hydratase deficient cancer cell J Sep Sci 2013 36 3303 3309
7. Fontenot BE Hunt LR Hildenbrand ZL Carlton DD Oka H Walton JL Hopkins D Osorio A Bjorndal B Hu Q Schug KA An evaluation of water quality in private drinking water wells near natural gas extraction sites in the Barnett Shale Formation Environ Sci Technol 2013 47 10032 10040
8. Barnes JS Foss FW Jr Schug KA Thermally accelerated oxidative degradation of quercetin using continuous flow kinetic electrospray ion trap time of flight mass spectrometry J Am Soc Mass Spectrom 2013 24 1513 1522
9. Yang SH Wang EH Gurak JA Bhawal S Deshmukh R Wijeratne AB Edwards BL Foss FW Jr Schug KA Affinity mesh screen materials for selective extraction and analysis of antibiotics using transmission mode desorption electrospray ionization mass spectrometry Langmuir 2013 29 8046 8053
10. Tedmon L Barnes JS Nguyen HP Schug KA Differentiating isobaric steroid hormone metabolites using multi stage tandem mass spectrometry J Am Soc Mass Spectrom 2013 24 399 409