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Publications & Patents (2009-2011)


liq_cryst

Images from one of Kurt Wiegel’s publications were featured on the cover of the October 2011 issue of Liquid Crystals.

The paper entitled “Supramolecular main-chain liquid crystalline polymers and networks with competitive hydrogen bonding: a study of flexible bis-acids and a mixture of rigid and flexible polypyridyls” is a result of collaborative research between Kurt and two current UW-Eau Claire chemistry majors, Rick Meisen and Steve Friday.

 

 


(* UWEC student co-authors)

  1. *Knauf, R. R.; *Helminiak, H. M.; *Wrass, J. R.; *Gallert, T. M.; Phillips, J. A. Structural and Energetic Properties of Alkylfluoride-BF3 Complexes in the Gas Phase and Condensed-Phase Media: Computations and Matrix Infrared Spectroscopy. J. Phys. Org. Chem. 2011, DOI: 10.1002/poc.1944.

  2. *Meisen, R. F.; *Friday, S. R.; Wiegel, K. N. Supramolecular main-chain liquid crystalline polymers and networks with competitive hydrogen bonding: a study of flexible bis-acids and a mixture of rigid and flexible polypyridyls. Liquid Crystals 2011, 38, 1341-1347.

  3. Porras, I.; *Schuster, C. D.; King, F. W. Convergence accelerator approach to the numerical evaluation of Hilbert transforms based on expansions in Hermite functions. IAENG International Journal of Applied Mathematics  2011, 41, 252-259.

  4. Porras, I.; *Schuster, C. D.; King, F. W. Combined eigenfunction expansion and convergence accelerator approach to the rapid numerical evaluation of Hilbert transforms. Proceedings of the World Congress on Engineering 2011, 1, 1-6.

  5. Lewis, D. E., A. M. Zaitsev: Lasting Contributions of a Synthetic Virtuoso a Century after his Death. Angew. Chem. Intl. Ed. 2011, 50, 6452-6458.

  6. Morales, C. M.; Thompson, W. H., Molecular-Level Mechanisms of Vibrational Frequency Shifts in a Polar Liquid. J. Phys. Chem. 2011, 115, 7597-7605.

  7. *Smith, E. L.; Sadowsky, D.; Cramer, C. J.; Phillips, J. A., Structure, Bonding, and Energetic Properties of Nitrile−Borane Complexes: RCN−BH3. J. Phys. Chem. A 2011, 115, 1955-1963.

  8. King, F. W.; Quicker, D.; Langer, J., Compact Wave Functions for the Beryllium Isoelectronic Series, Li- to Ne6+: A Standard Hylleraas Approach.  Journal of Chemical Physics 2011, 134, 124114.

  9. *Mueller, R. M.; *North, M. A.; *Yang, C.; Hati, S.; Bhattacharyya, S., Interplay of Flavin's Redox States and Protein Dynamics: An Insight from QM/MM Simulations of Dihydronicotinamide Riboside Quinone Oxidoreductase 2. J. Phys. Chem. 2011115, 3632-3641.

  10. *Hammers, M. D.; *Wichman, J. J.; Wiegel, K. N., Supramolecular Main-Chain Liquid Crystalline Polymers and Networks with Competitive Hydrogen Bonding: A Study of Increased Flexibility on Distonic Mesogenic Hydrogen Bond Acceptors with Networks Created from Tetrakis-, Tris- and Bis-Functionalised Pyridyl Networking Agents. Liquid Crystals 2011, 38, 581-587.

  11. Bandow, N. L.; Gallagher, W. H.; *Behling, L. A.; Choi, D. W.; Semrau, J. D.; Hartsel, S. C.; Gilles, V. S.; DiSpirito, A. A., Isolation of Methanobactin from the Spent Media of Methane Oxidizing Bacteria. Methods in Enzymology 2011, 495, 259-269.

  12. *Krentz, B. D.; Mulheron, H. J.; Semrau, J. D.; DiSpirito, A. A.; Bandow, N. L.; Haft, D. H.; Vuilleumier, S.; Murrell, J. C.; McEllistrem, M. T.; Hartsel, S. C.; Gallagher, W. H., A Comparison of Methanobactins from Methylosinus trichosporium OB3b and Methylocystis strain SB2 Predicts Methanobactins are Synthesized from Diverse Peptide Precursors Modified to Create a Common Core for Binding and Reducing Copper Ions. Biochemistry 2010, 49, 10117-10130.

  13. Choi , D. W.; Bandow, N. L.; McEllistrem, M. T.; Semrau, J. D.; Antholine, W. E.; Hartsel, S. C.; Gallagher, W. H.; Zea, C. J.; Pohl, N. L; Zahn, J. A.; DiSpirito, A. A., Spectral and thermodynamic properties of methanobactin from γ-proteobacterial methane oxidizing bacteria: A case for copper competition on a molecular level. Journal of Inorganic Biochemistry 2010, 104, 1240-1247.

  14. *Greuel, J. R.; *Andrews, T. E.; *Wichman, J. J.; *Tessner. J. D.; Wiegel, K. N., Supramolecular main-chain liquid crystalline polymers and networks with competitive hydrogen bonding: networks and linear polymers created from tris- and bis-functionalised pyridyl networking agents. Liquid Crystals 2010, 37, 1515-1520.

  15. *Greuel, J. R.; *Witte, D. K.; Morales, C. M.; Wiegel, K. N., Supramolecular Main-Chain Liquid Crystalline Polymers and Networks with Competitive Hydrogen Bonding. Liquid Crystals 2010, 37, 1127-1131.

  16. Small, B. L.; Rios, R.; Fernandez, E. R.; *Gerlach, D. L.; Halfen, J. A.; Carney, M. J., Oligomerization of Ethylene Using New Tridentate Iron Catalysts Bearing a-Diimine Ligands with Pendant S and P Donors. Organometallics 2010, 29, 6723-6731.

  17. *North, M. A.; Bhattacharyay, S.; Truhlar, D. G., Improved Density Functional Description of the Electrochemistry and Structure-Property Descriptors of Substituted Flavins. J. Phys. Chem. B 2010,114, 14907-14915.

  18. Lewis, D.E., 150 Years of Organic Structures.  In Giunta, C.J., Ed.  Atoms in Chemistry: From Dalton's Predecessors to Complex Atoms and Beyond.  ACS Symp. Ser. 2010, 1044, 35-57.

  19. Lewis, D.E., Feuding Rule-Makers: Vladimir Vasil'evich Markovnikov (1838-1904) and Aleksandr Mikhailovich Zaitsev (1841-1910).  Bull. Hist. Chem. 2010, 35, 115-124.

  20. Lewis, D.E., The Protocenter Concept: A Method for Teaching Stereochemistry.  J. Chem. Ed. 2010, 87, 604-608.

  21. Stromich, J.J.*; Weber, A.K.*; Mirzaei, Y.R.; Caldwell, M.D.; Lewis, D.E., New adjuvants to enhance anticoagulant activity of warfarin.  Bioorg. Med. Chem. Lett. 2010, 20, 1928-1932.

  22. *Smith, E. L.; Sadowski, D.; Phillips, J. A.; Cramer, C. J.; Giesen, D. J., A Short – Yet Very Weak Dative Bond: Structure, Bonding, and Energetic Properties of N2–BH3. J. Phys. Chem. A 2010, 114, 2628.

  23. McDonald, A. R.; Bukowski, M. R.; Farquhar, E. R.; Jackson, T. R.; Koehntop, K. D.; Seo, M. S.; De Hont, R. F.; Stubna, A.; Halfen, J. A.; Munck, E.; Nam, W; Que, Jr., L., Sulfur versus Iron Oxidation in an Iron−Thiolate Model Complex. J. Am. Chem. Soc. 2010, 132, 17118-17129.

  24. Grubel, K.; Rudzka, K.; Arif, A. M. Klotz, K. L.; Halfen, J. A.; Berreau, L. M., Synthesis, Characterization, and Ligand Exchange Reactivity of a Series of First Row Divalent Metal 3-Hydroxyflavonolate Complexes. Inorg. Chem. 2010, 49, 82-96.

  25. Lewis, D.E., A Discussion of 'Can Reaction Mechanisms be Proven?’ J. Chem. Ed. 2009, 86, 554.

  26. *Rauschnot, J. C.; *Yang, C.; *Yang, V.; and Bhattacharyay, S., Theoretical determination of the redox potentials of NRH:quinone Oxidoreductase 2 using quantum mechanical/molecular mechanical simulations. J. Phys. Chem. B 2009, 113, 8149-8157.

  27. *Weimer, K. M. E.; *Shane, B. L.; *Brunetto, M.; Bhattacharyay, S.; Hati, S., Evolutionary basis for the coupled domain motions in Thermus thermophilus leucyl-tRNA synthetase. J. Biol. Chem. 2009, 284, 10088-10099.

  28. Ruiz-Pernía, J. J.; Garcia-Viloca, M.; Bhattacharyay, S.; Gao J.; Truhlar, D.G.; Tuñón, I., Critical role of substrate conformational change in the proton transfer process catalyzed by 4-oxalocrotonate tautomerase. J. Am. Chem. Soc. 2009, 131, 2687-2698.

  29. *Springer, M. G.; *Hlavacek, N. C.; *Jagusch, S. P.; Drucker, S., Cavity Ringdown Spectrum of the T1(n, p*) ← S0 Transition of 4-Cyclopentene-1,3-Dione. J. Phys. Chem. A 2009, 113, 13318-13326.

  30. *Eigner, A. A.; *Wrass, J. P.; *Smith, E. L.; *Knutson, C. C.; Phillips, J. A.,  Structural Properties of CH3CN–SO2 in the Gas Phase and Condensed-Phase Media via Density Functional Theory and Infrared Spectroscopy. Journal of Molecular Structure 2009, 919, 312-320.

  31. *Klotz, K. L.; *Slominski, L. M.; *Riemer, M. E.; Phillips, J. A.; Halfen, J. A., Mechanism of the Iron-Mediated Alkene Aziridination Reaction: Experimental and Computational Investigations. Inorg. Chem. 2009, 48, 801-803.

  32. *Doering, S. R.; *Strobush, K. M.; Marschall, J.; Boulter, J. E., The effect of microwave-frequency discharge-activated oxygen on the microscale structure of low-temperature water ice films. J. Chem. Phys. 2009, 131, 224706.

  33. King, F. W., High precision calculations of the hyperfine constants for the low-lying excited 2S states of Be+. Journal of Physical Chemistry A, 2009, 113, 4110-4116.

  34. King, F. W., Hilbert Transforms, Volume I, Cambridge University Press, April, 2009.

  35. King, F. W., Hilbert Transforms, Volume II, Cambridge University Press, April, 2009.


Patents Awarded (2009-2011)


  1. Hartsel, S.C.; Lewis, D.E. "Molecules and methods for fluorescence microscopy." U.S. Patent No. 7,528,144

  2. Carney, M. J.; Small, B. L. "Diimine Metal Complexes, Method of Synthesis, and Methods of Using in Oligomerization and Polymerization" US Patent No. 7,727,296

  3. Carney, M. J.; Small, B. L. "Diimine Metal Complexes, Method of Synthesis, and Methods of Using in Oligomerization and Polymerization" US Patent No. 7,728,160

  4. Carney, M. J.; Small, B. L. "Diimine Metal Complexes, Method of Synthesis, and Methods of Using in Oligomerization and Polymerization" US Patent No. 7,728,161

  5. Carney, M. J.; Small, B. L. "Diimine Metal Complexes, Method of Synthesis, and Methods of Using in Oligomerization and Polymerization" US Patent No. 7,977,269


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