(Student co-authors are indicated by asterisks)
R. S. Paley, A. de Dios, L. A. Estroff*, J. A. Lafontaine*, C. Montero, D. J. McCulley*, M. Belén Rubio, M. P. Ventura, H. L. Weers*, R. Fernández de la Pradilla, M. Morente, R. Dorado, "Synthesis and Diastereoselective Complexation of Enantiopure Sulfinyl Dienes: The Preparation of Sulfinyl Iron(0) Dienes", J. Org. Chem. 1997, 62, 6326-6343.
R. S. Paley, L. A. Estroff*, D. J. McCulley*, L. Alfonso Martínez-Cruz, A. Jiménez Sánchez, F. H. Cano, "Diastereoselective Allylation of Enantiopure 3- and 4-Substituted h4-(1Z)-(Sulfinyldienal)Iron(0) Tricarbonyl Complexes", Organometallics 1998, 17, 1841-1849
R. S. Paley, L. A. Estroff*, J.-M. Gauguet*, D. K. Hunt*, R. C. Newlin*, "Enantiopure h4-(1-Sulfinyldiene)iron(0) Tricarbonyl Complexes as Templates for Carbocycle Construction via Ring-Closing Metathesis", Organic Letters 2000, 2, 365-368.
R. S. Paley "Enantiomerically Pure Planar Chiral Organometallic Complexes via Facially-Selective Pi-Complexation", Chem. Rev. 2002, 102, 1493-1524.
R. S. Paley, J. M. Liu*, B. R. Lichtenstein*, V. L. Knoedler*, T. T. Sanan*, D. J. Adams*, J. Fernández, P. R. Rablen "Simultaneous and Stereoselective Formation of Planar and Axial Chiralities in Enantiopure Sulfinyl Iron Diene Complexes" Organic Letters 2003, 5, 309-312.
Koskowich, S.M.*; Johnson, W.C.*; Paley, R.S.; Rablen, P.R. "Computational Modeling of a Stereoselective Epoxidation: Reaction of Carene with Peroxyformic Acid" J. Org. Chem. 2008, 73, 3492-3496.
J. Parkash, J. H. Robblee*, J. Agnew*, E. Gibbs, P. Collings, R. F. Pasternack and J. C. dePaula, "Depolarized Resonance Light Scattering by Porphyrin and Chlorophyll a Aggregates" Biophys. J. , 74, 2089, 1998.
R. F. Pasternack, E. J. Gibbs, P. J. Collings, J. C. dePaula, L. C. Turzo* and A. Terracina*, "A Non-Conventional Approach to Supramolecular Formation Dynamics. The Kinetics of Assembly of DNA-Bound Porphyrins" J. Am. Chem. Soc., 120, 5873, 1998.
R. F. Pasternack, J. I. Goldsmith*, S. Szep* and E. J. Gibbs, "A Spectroscopic and Thermodynamic Study of Porphyrin/DNA Supramolecular Assemblies" Biophys. J., 75, 1024, 1998.
P. J. Collings, E. J. Gibbs, T. E. Starr*, O. Vafek*, C. Yee*, L. A. Pomerance* and R. F. Pasternack, "Resonance Light Scattering and Its Application in Determining the Size, Shape, and Aggregation Number for Supramolecular Assemblies of Chromophores" J. Phys. Chem. B, 103, 8474, 1999.
D. Delmarre, R. Meallet-Renault, C. Bied-Charreton and R. F. Pasternack, "Incorporation of Water-Soluble Porphyrins in Sol-Gel Matrices and Application to pH Sensing" Anal. Chim. Acta 401, 125, 1999.
M. Freedman* and R. F. Pasternack, "The Effect of Substrate and Template Rigidity on Metalloporphyrin Aggregation" The Chemist, 77, 25, 2000.
R. F. Pasternack, C. Fleming*, S. Herring*, P. J. Collings, J. C. dePaula, G. DeCastro* and E. J. Gibbs, "Aggregation Kinetics of Extended Porphyrin and Cyanine Dye Assemblies" Biophys. J. 79, 550, 2000.
K. Kano, K. Fukuda, H. Wakami, R. Nishiyabu and R. F. Pasternack, "Factors Influencing Self-Aggregation Tendencies of Cationic Porphyrins in Aqueous Solution" J. Am. Chem. Soc.122, 7494, 2000.
R. F. Pasternack, S. Ewen*, A. Rao*, A. S. Meyer*, M. A. Freedman*, P. J. Collings, S. L. Frey*, M. C. Ranen* and J. C. dePaula, "Interactions of Copper(II) Porphyrins with DNA" Inorg. Chim. Acta 317, 59, 2001.
R. F. Pasternack, E. J. Gibbs, D. Bruzewicz*, D. Stewart*, and K. S. Engstrom*,
"Kinetics of Disassembly of a DNA-Bound Porphyrin Supramolecular Array"
J. Am. Chem. Soc., 124, 3533, 2002.
R. F. Pasternack, "Circular Dichroism and the Interactions of Water Soluble Porphyrins with DNA - A Minireview" Chirality, 15, 329, 2003.
L.M. Scolaro, A. Romeo and R.F. Pasternack, "Tuning Porphyrin/DNA Supramolecular Assemblies by Competitive Binding" J. Amer. Chem. Soc., 126, 7178, 2004.
R. F. Pasternack, E. J. Gibbs, S. Sibley, L. Woodward*, P. Hutchinson*, J. Genereux*, and K. Kristian*, "Formation Kinetics of Insulin-Based Amyloid Gels and the Effect of Added Metalloporphyrins" Biophysical J., 90, 1033, 2006.
M. Nejad-Sattari* and T.A. Stephenson, "Fragment Rotational Distributions from the Dissociation of NeBr2: Experimental and Classical Trajectory Studies", J. Chem. Phys., 106, 5454, 1997.
T.A. Stephenson and N. Halberstadt, "Quantum Calculations on the Vibrational Predissociation of NeBr2: Evidence for Continuum Resonances", J. Chem. Phys.,112, 2265, 2000.
C.J. Fecko,* M.A. Freedman* and T.A. Stephenson, "Collision-Induced Energy Transfer from v = 0 of the E(0g+) Ion-Pair State in I2: Collisions with I2(X)", J. Chem. Phys., 115, 4132, 2001.
C.J. Fecko*, M.A. Freedman* and T.A. Stephenson, "Collision-Induced Energy Transfer from v = 0 of the E(0g+) Ion-Pair State in I2: Collisions with He and Ar", J. Chem. Phys., 116, 1361, 2002.
M.L. Morton, L.J. Butler, T.A. Stephenson and F. Qi, "C-Cl Bond Fission, HCl Elimination and Secondary Radical Decomposition in the 193 nm Photodissociation of Allyl Chloride", J. Chem. Phys., 116, 2763, 2002.
T.V. Tscherbul, A.A. Buchachenko, M.E. Akopyan, S.A. Poretsky, A.M. Proavilov and T.A. Stephenson, "Collision-Induced Non-Adiabatic Transitions between the Ion-Pair States of Molecular Iodine: A Challenge for Experiment and Theory". Phys. Chem. Chem. Phys., 6, 3201, 2004.
P.P. Chandra* and T.A. Stephenson, "Franck-Condon Effects in Collision-Induced Electronic Energy Transfer: I2(E, v = 1,2) + He, Ar". J. Chem. Phys., 121, 2985, 2004.
I.M. Konen, E.X.J. Li, T.A. Stephenson and M.I. Lester, "Second OH Overtone Excitation and Statistical Dissociation Dynamics of Peroxynitrous Acid". J. Chem. Phys., 123, 204318, 2005.
I.B. Pollack, Y. Lei, T.A. Stephenson and M.I. Lester, "Electronic Quenching of OH 2S+ Radicals in Collisions with Molecular Hydrogen". Chem. Phys. Lett., 421, 324, 2006.
J.M. Hutchison, B.R. Carlisle* and T.A. Stephenson, "Ro-vibrational Resonance Effects in Collision-Induced Electronic Energy Transfer: I2(E, v = 0-2) + CF4". J. Chem. Phys., 125, 194313, 2006.
J.M. Hutchison, R.R. O'Hern*, T.A. Stephenson, Y.V. Suleimanov and A.A. Buchachenko, "Theoretical and Experimental Studies of Collision-Induced Electronic Energy Transfer from v=0-3 of the E(0g+) Ion-Pair State of Br2: Collisions with He and Ar". J. Chem. Phys. 128, 184311, 2008.
D. Voet, J. G. Voet, and C. Pratt, FUNDAMENTALS OF BIOCHEMISTRY, an introductory text for undergraduate students, John Wiley and Co., 1999.
Uzman, A., Eichberg, J., Widger, W., Voet, D., Voet, J. G. and Pratt, C. W., Student Companion to accompany FUNDAMENTALS OF BIOCHEMISTRY, John Wiley and Co, 1999.
D. Kraut*, H. Goff*, R. K. Pai*, N. A. Hosea, I. Silman, J. L. Sussman, P. Taylor and J. G. Voet, "Inactivation Studies of Acetylcholinesterase with Phenylmethanesulfonyl Fluoride", Mol. Pharm., 57, 1243-1248, 2000.
J. B. Doyon,* E. A. M. Hansen,* C.-Y. Kim, J. S. Chang, D. W. Christianson, R. D. Madder,* J. G. Voet, T. A. Baird, Jr., C. A. Fierke, and A. Jain, "Linear Free Energy Relationships Implicate Three Modes of Binding for Fluoroaromatic Inhibitors to a Mutant of Carbonic Anhydrase II", Organic Letters, 2, 1189-1192, 2000.
D. J. T. Porter, J. G. Voet and H. J. Bright, "Active Site Generation of a Protonically Unstable Suicide Substrate from a Stable Precursor: Glucose Oxidase and Dibromonitromethane", Biochemistry, 39, 11808-11817, 2000.
R. D. Madder*, C.-Y. Kim, P. P. Chandra*, J. B. Doyon*, T. A. Baird, Jr., C. A. Fierke, D. W. Christianson, J. G. Voet, and A. Jain, Twisted Amides Inferred from QSAR Analysis of Hydrophobicity and Electronic Effects on the Affinity of Fluoroaromatic Inhibitors of Carbonic Anhydrase, J. Org. Chem., 67, 582-584, 2002.
D. Voet and J. G. Voet, BIOCHEMISTRY, 3rd Edition, Volume 1, John Wiley & Sons, Inc., 2003.
D. Voet and J. G. Voet, KINEMAGE supplement to BIOCHEMISTRY, 2nd Ed., John Wiley and Co., 1996.
D. Voet and J. G. Voet, KINEMAGE supplement to FUNDAMENTALS OF BIOCHEMISTRY, John Wiley and Co., 1999.
Magnetically Oriented Phospholipid Bilayers for Spin Label EPR Studies. Garber, S.M.*, Lorigan, G.A., and Howard, K.P. Journal of the American Chemical Society, 121, 3240-3241, 1999.
Spectroscopic Characterization of Spin Labeled Magnetically Oriented Phospholipid Bilayers by EPR Spectroscopy. Mangels, M., Cardon, T., Harper, A. Howard, K.P. and Lorigan, G.A. Journal of the American Chemical Society, 122(29), 7052-7058, 2000.
Thermodynamics of DNA Duplex Formation. Howard, K.P. Journal of Chemical Education, 77(11), 1469-1471, 2000.
Pegylation of Magnetically Oriented Lipid Bilayers. King, V.* , Parker, M.* and Howard, K.P Journal of Magnetic Resonance, 142(1), 177-182, 2000.
Parker, M.*, King, V.,* and Howard, K.P. NMR study of doxorubicin binding to cardiolipin containing magnetically oriented phospholipid bilayers. Biochimica Biophysica Acta - Biomembranes, 1514(2), 206-216, 2001.
Mangels, M., Harper, A., Smirnov, A.I., Howard, K.P. and Lorigan, G.A. Investigating Magnetically Aligned Phospholipid Bilayers with EPR Spectroscopy at 94 GHz, Journal of Magnetic Resonance, 151, 253-259, 2001.
Cardon, T.B., Tiburu, E., Padmanabhan, A., Howard, K.P. and Lorigan, G.A. Magnetically Aligned Phospholipid Bilayers at the Parallel and Perpendicular Orientations for X-Band Spin-Label EPR Studies, J.Amer.Chem. Soc; 123(12), 2913-2914, 2001.
Howard, K.P., Lear, J.D., and DeGrado, W.F. Sequence determinants of the energetics of folding of a transmembrane four-helix bundle protein. Proceedings of the National Academy of Sciences, 99(13), 8568-8572, 2002.
Duong-Ly, K.*, Nanda, V., DeGrado, W. and Howard, K.P., "The Conformation of the Pore Region of the M2 Proton Channel Depends on Lipid Bilayer Environment", Protein Science 14, 856-861, 2005.
Howard, K.P., Liu, W., Crocker, E., Nanda, V., Lear, J., DeGrado, W.F. and Smith, S.O., "Rotational Orientation of Monomers within a Designed Homo-Oligomer Transmembrane Helical Bundle", Protein Science 14, 1019-1024, 2005.
Zee, B.* and Howard, K.P. "Probing the phase behavior of membrane bilayers using 31P NMR Spectroscopy" in Modern Nuclear Magnetic Resonance in Undergraduate Education, Edited by D. Rovnyak and R. Stockland, Jr. American Chemical Society Symposium Series, Oxford University Press, 2007.
Rablen, P. R. "Large Effect on Borane Bond Dissociation Energies Resulting from Coordination by Lewis Bases" J. Am. Chem. Soc., 119, 8350-8360, 1997.
Rablen, P. R.; Lockman, J. W*.; Jorgensen, W. L. "Ab Initio Study of Hydrogen-Bonded Complexes of Small Organic Molecules with Water" J. Phys. Chem. A, 102, 3782-3797, 1998.
Richardson, A. D.; Hedberg, K.; Wiberg, K. B.; Rablen, P. R. "Internal hydrogen bonding in gaseous 3-aminoacrolein: an electron-diffraction investigation augmented by ab initio calculations of its molecular structure and conformational composition" J. Mol. Struct., 445, 1-11, 1998.
Wiberg, K. B.; Rablen, P. R. "Substituent Effects. 7. Phenyl Derivatives. When is Fluorine a 1-Donor?" J. Org. Chem., 63, 3722-3730, 1998.
Hadad, C. M.; Rablen, P. R.; Wiberg, K. B. "C-O and C-S Bonds: Stability, Bond Dissociation Energies, and Resonance Stabilization" J. Org. Chem., 63, 8668-8681, 1998.
Rablen, P. R.; Miller, D. A.*; Bullock, V. R.*; Hutchinson, P. H.*; Gorman, J. A. "Solvent Effects on the Barrier to C-N Bond Rotation in N,N-Dimethylaminoacrylonitrile" J. Am. Chem. Soc., 121, 218-226, 1999.
Rablen, P. R.; Pearlman, S. A.*; Miller, D. A.* "Solvent Effects on the Barrier to C-N Bond Rotation in N,N-Dimethylaminoacrylonitrile: Modeling by Reaction Field Theory and by Monte Carlo Simulations" J. Am. Chem. Soc., 121, 227-237, 1999.
Rablen, P. R.; Hoffmann, R. W.; Hrovat, D. A.; Borden, W. T. "Is Hyperconjugation Responsible for the 'Gauche Effect' in 1-Fluoropropane and other 2-Substituted-1-fluoroethanes?" J. Chem. Soc. Perkin Trans. 2, 1719-1726, 1999.
Rablen, P. R.; Pearlman, S. A.*; Finkbiner, J.* "A Comparison of Density Functional Methods for the Estimation of Proton Chemical Shifts with Chemical Accuracy" J. Phys. Chem., 103, 7357-7363,1999.
DerHovanessian, A.*; Doyon, J. B.*; Jain, A.; Rablen, P. R.; Sapse, A.-M. "Models of F•H Contacts Relevant to the Binding of Fluoroaromatic Inhibitors to Carbonic Anhydrase II" Org. Lett., 1(9), 1359-1362, 1999.
Rablen, P. R. "Is the Acetate Anion Stabilized by Resonance or Electrostatics? A Systematic Structural Comparison" J. Am. Chem. Soc. 2000, 122, 357-368.
DerHovanessian, A.*; Rablen, P. R.; Jain, A. "Ab Initio and Density Functional Calculations of 19F NMR Chemical Shifts for Models of Carbonic Anhydrase Inhibitors" J. Phys. Chem. A 2000, 104, 6056-6061.
Rablen, P. R. "Computational Analysis of the Solvent Effect on the Barrier to Rotation in Methyl N,N-Dimethylcarbamate" J. Org. Chem. 2000, 65, 7930-7937.
Rablen, P. R.; Paquette, L. A.; Borden, W. T. "Why Doesn’t All-trans-1,2,3,4,5,6-hexaspiro(THF)cyclohexane Complex Metal Ions?" J. Org. Chem. 2000, 65, 9180-9185.
Paley, R. S.; Liu, J. M.*; Lichtenstein, B. R.*; Knoedler, V. L.*; Sanan, T. T.*; Adams, D. J.*; Fernández, J.; Rablen, P. R. "Simultaneous and Stereoselective Formation of Planar and Axial Chiralities in Enantiopure Sulfinyl Iron Diene Complexes" Organic Letters 2003, 5, 309-312.
Taboada, R.; Ordonio, G. G.; Ndakala, A. J.; Howell, A. R.; Rablen, P. R. "Directed Ring-opening of 1,5-Dioxaspiro[3.2]hexanes: Selective Formation of 2,2-Disubstituted Oxetanes" J. Org. Chem. 2003, 68, 1480-1488.
Rablen, P. R.; Bentrup, K. H.* "Are the Enolate Anions of Amides and Esters Stabilized by Electrostatics?" J. Am. Chem. Soc. 2003, 125, 2142-2147.
Merrer, D.C.; Rablen, P.R. "Dichlorocarbene Addition to Cyclopropenes: A Computational Study" J. Org. Chem. 2005, 70, 1630-1635.
Koskowich, S.M.*; Johnson, W.C*.; Paley, R.S.; Rablen, P.R. "Computational Modeling of a Stereoselective Epoxidation: Reaction of Carene with Peroxyformic Acid" J. Org. Chem. 2008, 73, 3492-3496.
S.T. Miller, J. Genova and J.M. Hogle, "Collection of Very Low Resolution Protein Data", J. Appl. Cryst. 1999, 32, 1183-1185.
S.T. Miller, J.M. Hogle and D.J. Filman, “Ab initio Phasing of High-Symmetry Macromolecular Complexes: Successful Phasing of Authentic Poliovirus Data to 3.0Å Resolution”, J. Mol. Biol. 2001, 307, 499-512.
M. Taga, S.T. Miller, and B.L. Bassler, “Lsr-Mediated Transport and Processing of AI-2 in Salmonella typhimurium”, Mol. Microbiol. 2003, 50, 1411-1427.
J. Das, S.T. Miller and D.L. Stern, “Phylogenetic and Structural Analysis of the Nuclear-Encoded Subunits of Cytochrome C Oxidase”, Mol. Biol. and Evol. 2004, 21, 1572-1582.
S.T. Miller, K. Xavier, S. Campagna, M. Taga, M. F. Semmelhack, B. L. Bassler & F. M. Hughson, “The Salmonella typhimurium Quorum Sensor Protein Binds a Novel Form of Autoinducer-2”, Mol. Cell 2004, 15, 677-687.
M.B. Neiditch, M. F. Federle , S. T. Miller, B. L. Bassler, & F. M. Hughson, "Regulation of LuxPQ Receptor Activity by the Quorum-Sensing Signal Autoinducer-2", Mol. Cell 2005, 18, 507-518.
Xavier, K.B., Miller, S.T., Kim, Jeong Hwan,* Lu, W., Rabinowitz. J., Pelczer, I., Semmelhack, M.F., Bassler, B. L. “Phosphorylation and Processing of the Quorum Sensing Molecule AI-2 in Enteric Bacteria.” ACS Chemical Biology 2007, 2, 128-136.
Vibrational Spectroscopy and Photodissociation of Jet-Cooled Ammonia, A. Bach, J.M. Hutchison, R.J. Holiday and F.F. Crim, J. Chem. Phys., 116, 4955, 2002.
Vibronic Structure and Photodissociation Dynamics of the A state of Jet-Cooled Ammonia, A. Bach, J.M. Hutchison, R.J. Holiday and F.F. Crim, J. Chem. Phys., 116, 9315, 2002.
Photodissociation of Vibronically Excited Ammonia: Rotational Excitation in the NH2 Product, A. Bach, J.M. Hutchison, R.J. Holiday and F.F. Crim, J. Chem. Phys., 118, 7144, 2003.
Competition between Adiabatic and Nonadiabatic Pathways in the Photodissociation of Vibrationally Excited Ammonia, A. Bach, J.M. Hutchison, R.J. Holiday and F.F. Crim, J. Phys. Chem. A, 107, 10490, 2003.
Action Spectroscopy and Photodissociation of Vibrationally Excited Methanol, J.M. Hutchison, R.J. Holiday, A. Bach, S. Hsieh and F.F. Crim, J. Phys. Chem. A, 108, 8115, 2004.
J.M. Hutchison, B.R. Carlisle* and T.A. Stephenson, "Ro-vibrational Resonance Effects in Collision-Induced Electronic Energy Transfer: I2(E, v = 0-2) + CF4". J. Chem. Phys., 125, 194313, 2006.
J.M. Hutchison, R.R. O'Hern*, T.A. Stephenson, Y.V. Suleimanov and A.A. Buchachenko, "Theoretical and Experimental Studies of Collision-Induced Electronic Energy Transfer from v=0-3 of the E(0g+) Ion-Pair State of Br2: Collisions with He and Ar". J. Chem. Phys. 128, 184311, 2008.