Research in Dr. Rodgers group is interdisciplinary in nature, making use of state of the art physical
and analytical techniques to study problems of biological importance. Research efforts are
aimed at achieving a better understanding of the interplay of structure and function in biological
systems. In particular, studies are directed towards elucidation of structure, intrinsic reactivity,
and thermochemistry of biological metal-ligand complexes; the mechanisms, energetics
and control of fundamental dissociation processes that occur in biopolymers; and the effects
of solvation on these systems. Experimental studies make use of guided ion beam and tandem
mass spectrometry techniques. Experimental results are enhanced and supported by theoretical
electronic structure calculations.
Non-covalent Interactions. Weak, non-covalent forces play key roles in the accurate replication
of DNA, protein folding, specific recognition of substrates by enzymes, transport of various ions
and molecules across cell membranes, and detection of signal molecules. Our studies examine
the strengths of interactions between metal ions and building blocks of large biopolymers
(amino acids, nucleic acid bases, etc.), as well as small biopolymers where
multiple non-covalent interactions may occur.
Biopolymer Dissociation. Studies are also directed toward determination of the
mechanisms, energetics and control of fundamental dissociation processes in
biopolymers. These studies may lead to a better understanding of various
metabolic pathways and provide information to help improve both solution
and gas phase sequencing techniques.
Solvation. The energetics of dissociation in partially solvated systems is being
studied to enhance our understanding of the effect of solvation on biochemical
processes, to provide insight into folding and conformational stability of
biological macromolecules, the energetics of solvation, and structural information
on the solvated complex.
Theoretical Calculations. Theoretical calculations are performed to obtain
model structures and energetics for species and processes under investigation,
to provide insight into the reaction or dissociation mechanisms, and to provide
the molecular parameters needed for data analysis.
"Noncovalent Interactions of Zn+ with N-Donor Ligands (Pyridine, 4,4'-Dipyridyl, 2,2'-Dipyridyl, and 1,10-Phenanthroline", N. S. Rannulu and M. T. Rodgers, J. Phys. Chem. A 116, 1319-1332 (2012).
"Structural and Energetic Effects in the Molecular Recognition of Protonated Peptidomimetic Bases by 18-Crown-6", Y. Chen and M. T. Rodgers, J. Am. Chem. Soc. 134, 2313-2324 (2012). doi:10.1021/ja21-2345
"Sodium Cation Affinities of Commonly Used MALDI Matrices Determined by Guided Ion Beam Tandem Mass Spectrometry", S. D. M. Chinthaka and M. T. Rodgers, J. Am. Soc. Mass Spectrom. 23, 676-689 (2012). doi:10.1007/s13361-012-0336-8
"Tautomerization in the Formation and Collision-Induced Dissociation of Alkali Metal Cation-Cytosine Complexes", Z. Yang and M. T. Rodgers, Phys. Chem. Chem. Phys. 14, 4517-4526 (2012). doi:10.1039/c2cp23794f
"Structural and Energetic Effects in the Molecular Recognition of Amino Acids by 18-Crown-6", Y. Chen and M. T. Rodgers, J. Am. Chem. Soc. 134, 5863–5875 (2012). doi: 10.1021/ja211021h
"Metal Cation Dependence of Interactions with Amino Acids: Bond Energies of Cs+ to Gly, Pro, Ser, Thr, and Cys", P. B. Armentrout, Y. Chen, and M. T. Rodgers, J. Phys. Chem. A 116, 3989–3999 (2012). doi:10.1021/jp3012766
"Protonation Preferentially Stabilizes Minor Tautomers of the Halouracils: IRMPD Action Spectroscopy and theoretical Studies", K. T. Crampton, A. I. Rathur, Y.-w. Nei, G. Berden, J. Oomens, and M. T. Rodgers, J. Am. Soc. Mass Spectrom. 23, 1469-1478 (2012). doi: 10.1007/s13361-012-0434-7
"Re-evaluation of the Proton Affinity of 18-Crown-6 using Competitive Threshold Collision-Induced Dissociation Techniques", Y. Chen and M. T. Rodgers, Anal. Chem. 84, 7570-7577 (2012). doi: 10.1021/ac301804j
"Structural and Energetic Effects in the Molecular Recognition of Acetylated Amino Acids by 18-Crown-6", Y. Chen and M. T. Rodgers, J. Am. Soc. Mass Spectrom. 23, 2020-2030 (2012). doi: 10.1007/s13361-012-0466-z
"Alkali Metal Cation Interactions with 12-Crown-4 in the Gas Phase: Revisited", P. B. Armentrout, C. A. Austin, and M. T. Rodgers, Int. J. Mass Spectrom. 330-332, 16-26 (2012). doi: 10.1016/j.ijms.2012.06.018
"Alkali Metal Cation-Cyclen Complexes: Effects of Alkali Metal Cation Size on the Structure and Binding Energy", C. A. Austin, Y. Chen, and M. T. Rodgers, Int. J. Mass Spectrom. 330-332, 27-34 (2012). doi:10.1016/j.ijms.2012.08.033
"Thermochemistry of Alkali Metal Cation Interactions with Histidine: Influence of the Side Chain", P. B. Armentrout, M. Citir, Y. Chen, and M. T. Rodgers, J. Phys. Chem. A 116, 11823-11832 (2012). doi:10.1021/jp310179c
"Infrared Multiple Photon Dissociation Action Spectroscopy of Deprotonated DNA Mononucleotides: Gas-Phase Conformations and Energetics", Y.-w. Nei, N. Hallowita, J. D. Steill, J. Oomens, and M. T. Rodgers, J. Phys. Chem. A 117, 1319-1335 (2013). doi: 10.1021/jp3077936
"Metal Cation Dependence of Interactions with Amino Acids: Bond Energies of Rb+ and Cs+ to Met, Phe, Tyr, and Trp", P. B. Armentrout, B. Yang, and M. T. Rodgers, J. Phys. Chem. A 117, 3771-3781 (2013). doi:10.1021/jp401366g
"Thermochemistry of Non-Covalent Ion-Molecule Interactions", P. B. Armentrout and M. T. Rodgers, Mass Spectrometry, 2, S0011 (2013). doi:10.5702/massspectrometry.S0011
"Energy-Resolved Collision-Induced Dissociation Studies of 1,10-Phenanthroline Complexes of the Late First-Row Divalent Transition Metal Cations: Determination of the Third Sequential Binding Energy", H. Nose, Y. Chen, and M. T. Rodgers, J. Phys. Chem. A 117, 4316-4330 (2013). doi: 10.1021/jp401711c
For a complete list of research publications see http://rodgers.chem.wayne.edu/rodgers/publications.htm