Marianna Anderson Busch

Professor, Department of Chemistry & Biochemistry
Co-Director, Center for Analytical Spectroscopy
BaylorUniversity, Waco, TX76798-7348
Telephone:  (254) 710-3311 Ext. 6867
FAX:  (254) 710-4272
e-mail: Marianna_Busch@baylor.edu

B.A., Phi Beta Kappa, RandolphMacon Women's College, 1965;
Fulbright Fellow, VictoriaUniversity, New Zealand, 1966;
Ph.D.FloridaStateUniversity, 1972;
Postdoctoral Fellow, Cornell University, 1972-1974;
Robert A. Welch Postdoctoral Fellow, BaylorUniversity, 1975;
NSF Energy-Related Fellow, BaylorUniversity, 1976;
Visiting appointments: California Institute of Technology; CornellUniversity; Experimental Station, E. I. DuPont, Wilmington, DE;
Appointed to the Baylor faculty, 1977.

Analytical and Inorganic Chemistry

RESEARCH

Research:  For the past few years, our research has focused on the application of chemometrics to problems in analytical spectroscopy. Most recently, our research group has been particularly interested in studying new spectroscopic methods of chiral analysis. Many important biologically active compounds exist as mirror-imaged pairs or enantiomers.  One member of the  mirror-imaged pair may have a beneficial effect, while the other may have no effect or be biologically toxic.  The analysis of such compounds is difficult because enantiomers have nearly identical properties, making it very difficult to distinguish between the two.  The need for improved strategies for the determination of enantiomeric composition arises from a trend in the pharmaceutical industry toward developing and marketing single-enantiomeric drugs.

Experimental discrimination of enantiomers can be carried out using chiral auxiliary agents and chiral solvents. Enantiomeric discrimination arises when a given enantiomer of the chiral auxiliary interacts with two enantiomers of a chiral analyte to produce a diastereomeric pair.  Members of a diastereomeric pair have different physical and spectroscopic properties, so they can be more easily distinguished. While many techniques for chiral analysis have been developed over the years, gas- and liquid chromagraphy, capillary electrophoresis, and nuclear magnetic resonance are among the most widely used. For high-throughput screening of pharmaceuticals, however, these methods are relatively slow and rapid spectroscopic techniques are most desirable.

Recent research in our laboratories has shown that small spectral differences can be observed in the electronic spectra of solutions containing cyclodextrins and a chiral analyte.  Cyclodextrins are barrel-shaped sugar molecules that can form transient, non-covalent diastereomeric guest-host complexes with chiral guest molecules.  While these small spectral variations might easily be dismissed as having little analytical utility, we have found that modern methods of multivariate regression analysis provide powerful data reduction strategies for making use of this information. Our research has revealed that good regression models can be prepared that can determine the enantiomeric composition of unknown samples of chiral analytes with a prediction accuracy of 5% or less. At the present time, we are actively studying other potential chiral auxiliary agents (such as modified cyclodextrins) and spectroscopic methods in an effort to improve the technique.

Other Areas of Current Interest: Fabric Classification Using Near-Infrared Spectral Data; Determination of Postmortem Interval of Skeletal Remains Using Near-Infrared Spectroscopy; Determination of Enantiomeric Composition by Multivariate Regression Modeling of Near-Infrared and Fluorescence Data; Sugar Analysis Using Near-Infrared Spectroscopy. 

Recent Representative Publications in Chiral Analysis and Chemometrics

Books

1.     Kenneth W. Busch and Marianna A. Busch, Eds., “Chiral Analysis,” Elsevier: Amsterdam, 2006, 18 Chapters, 720 pages.  Two co-authored chapters appeared in this book (below).

Chapters in Books

1.  Kenneth W. Busch and Marianna A. Busch, “Chiral Analysis by Regression Modeling of Spectral Data,” in Chiral Analysis, Kenneth W. Busch and Marianna A. Busch, Eds., Elsevier, Amsterdam, Chapter 12, 2006, pp. 363-395.

2.  Kenneth W. Busch, Marianna A. Busch, and Carlos Calleja-Amador, “Instrumental Aspects of Chiroptical Detection,” in Chiral Analysis, Kenneth W. Busch and Marianna A. Busch, Eds., Elsevier, Amsterdam, Chapter 10, 2006, pp. 299-341.

Journal Articles

1. Carlos Calleja-Amadore, Dennis H. Rabbe, Kenneth W. Busch and Marianna A. Busch, "A Novel Spectropolarimeter Employing Fixed Polarizers for the Determination of Optically Active Samples," Applied Spectroscopy, submitted. 

2.  Jemima R. Ingle, Kenneth W. Busch and Marianna A. Busch, "Chiral Analysis by Multivariate Regression Modeling of Spectral Data Using Cyclodextrin Guest-Host Complexes--Methods for Determining Enantiomeric Composition with Varying Chiral Analyte Concentration," Talanta, submitted. 

3.  Christopher B. Davis, Carolyn E. Markey, Marianna A. Busch, and Kenneth W. Busch, "Determination of Capsaicinoids in Habanero Peppers by Chemometric Analysis of UV spectral data," Journal of Agricultural and Food Chemistry, 2007, 55, 5925-5933.

4.  Sayo O. Fakayode, Alicia A. Williams, Marianna A. Busch, Kenneth W. Busch, and Isiah M. Warner, “Determination of Enantiomeric Composition of Samples by Multivariate Regression Modeling of Fluorescence Spectral Data:  The Use of Poly(sodium N-Undecanoyl-L-leucylvalinate), Poly(sodium N-Undecanoyl-L-leucinate), and Poly(sodium N-Undecanoyl-L-valinate) Surfactants as Chiral Selectors,” Journal of Fluorescence, 2006. 16, 659-67.

5.  Sayo O. Fakayode, Marianna A. Busch, and Kenneth W. Busch, Determination of Enantiomeric Composition of Samples by Multivariate Regression Modeling of Spectral Data Obtained with Cyclodextrin Guest-Host Complexes—Effect of an Achiral Surfactant and Use of Mixed Cyclodextrins,” Talanta, 2006, 68, 1574-1583.

6.  Sayo O. Fakayode, Isabel M. Swamidoss, Marianna A. Busch, and Kenneth W. Busch, “Determination of the Enantiomeric Composition of some Molecules of Pharmaceutical Interest by Chemometric Analysis of the UV Spectra of Guest-Host Complexes Formed with Modified Cyclodextrins,” Talanta, 2005, 65, 838-845.

7.  Sayo O. Fakayode, Marianna A. Busch, Darrin Bellert, and Kenneth W. Busch, “Determination of the Enantiomeric Composition of Phenylalanine Samples by Chemometric Analysis of the Fluorescence Spectra of Cyclodextrin Guest-Host Complexes,” The Analyst, 2005, 130, 233-241.

8.  Kenneth W. Busch, Isabel Maya Swamidoss, Sayo O. Fakayode, and Marianna A. Busch, “Determination of the Enantiomeric Composition of some Molecules of Pharmaceutical Interest by Chemometric Analysis of the UV Spectra of Cyclodextrin Guest-Host Complexes,” Analytica Chimica Acta, 2004, 525, 53-62. 

9.  Kenneth W. Busch, Isabel Maya Swamidoss, Sayo O. Fakayode, and Marianna A. Busch, "Determination of the Enantiomeric Composition of Guest Molecules by Chemometric Analysis of the UV-Visible Spectra of Cyclodextrin Guest-Host Complexes, Journal of the American Chemical Society, 2003, 125, 1690-1691.

Contact

Phone: (254) 710-6867
Email: Marianna_Busch@baylor.edu