Educational Background:

 

B.S., Chemistry, University of Cincinnati, 1965.
Ph.D., Chemistry, California Institute of Technology, 1971.

 

Research Interests:

Our research interest is in the area of conformational analysis of small organic molecules of biological importance. The classes of compounds studied, both experimentally and computationally, include esters, thiolesters, amides, carboxylic acids, anhydrides, and other related compounds. The experimental method used is dynamic NMR spectroscopy; at room temperature, the compound shows an average spectrum for the conformations present. At lower temperatures, the rate of interconversion is slowed, and at a sufficiently low temperature, separate peaks are observed for each conformation. Rate constants and barriers are obtained at temperatures between the fast and slow exchange limits, where the spectra are sensitive to the rate of exchange. Calculations (molecular mechanics and ab initio) are performed to search conformational space and to obtain free energies and other thermodynamic properties.

 

Publications: (last three years)

 

D. Cain, D. M. Pawar, M. Stewart, H. Billings, Jr., and E. A. Noe, J. Org. Chem., 66, 6092-6095 (2001); “Barriers to Rotation in Methyl Formate by Dynamic NMR Spectroscopy and  Barriers  to 1, 3  Oxygen - to - Oxygen  Migration in Methyl Formate and Trifluoromethyl Formate by Ab Initio Calculations.”

 

J. Brown, D. M. Pawar, and E. A. Noe, J. Org. Chem., 68, 3420-3424 (2003); “Conformational Study of 1, 2 - Cycloundecadiene by Dynamic NMR Spectroscopy and Computational Methods.”

 

D. M. Pawar, Y. S. Sims, D. M. Moton, and E. A. Noe, Theochem,  626, 159 - 165 (2003); “Conformational Studies of Trihalomethyl Formates by Ab Initio Molecular Orbital Calculations.”

 

D. Cain, D. M. Pawar, and E. A. Noe, Theochem., 674, 1-3, 251-256, (2004); “Conformational Studies of trans - Cycloheptene, trans - Cycloheptene Oxide, and trans - Bicyclo [ 5.1.0 ] Octane by Ab Initio Calculations.”

 

C. H. Langley and E. A. Noe, Theochem. in press. “Ab Initio Studies of the Conformations of Organic Peroxides : Performic Acid, Peracetic Acid and Methyl Performate”.

 

Presentations: (last three years)

 

Dana Moton, Richard H. Sullivan, Dalephine Cain, Diwakar M. Pawar, and  Eric A. Noe, “Pseudorotation in BCB Cyclodecane.” 42^nd Experimental Nuclear Magnetic Resonance Conference, Orlando, Florida, March 14 and 15, 2001, Abstract No. 058.

 

Eric A. Noe, Diwakar M. Pawar, Otis Horton, and Dana Moton, “Dynamic NMR Studies of Formic Acid and Related Compounds.” 42^nd Experimental Nuclear Magnetic Resonance Conference, Orlando, Florida, March 14 and 15, 2001, Abstract No. 034.

 

Otis Horton, Diwakar M. Pawar, and Eric A. Noe, “Conformational Studies of Formic Acid and Related Compounds by Dynamic NMR Spectroscopy.” 221^st ACS National Meeting, San Diego, California, April 3, 2001, Abstract No. 454 of the Physical Organic Chemistry Division.

 

MacShelle Stewart, Otis Horton, Diwakar M. Pawar, and Eric A. Noe, “Dynamic NMR Study of Trifluorothioacetic Acid.” 221^st ACS National Meeting, San Diego, California, April 1, 2001, Abstract No. 201 of the Chemical Education Division.

 

Dana Moton, Richard H. Sullivan, Dalephine Cain, Diwakar M. Pawar, and  Eric A. Noe, “Interconversion of Carbon Sites in BCB Cyclodecane”. 221^st ACS National Meeting, San Diego, California, April 1, 2001, Abstract No. 216 of the Chemical Education Division.

 

Judge Brown, Diwakar Pawar, Maurice Harden, Dalephine Cain, Eric Noe, and Joseph Cameron, Sr., “Conformational Study of Delta (9,10) Octalin,”  2001 Annual Biomedical Research Conference for Minority Students (ABRCMS), Orlando, Florida, November 1, 2001, Abstract No. 318.

 

Dana Moton, Eric Noe, Richard Sullivan, Dalephine Cain, and Diwakar M. Pawar, “Interconversion of Carbon Sites in BCB Cyclodecane.” 2001 Annual Biomedical Research Conference for Minority Students (ABRCMS), Orlando, Florida, November 3, 2001, Abstract No. 706.

 

Judge Brown, Eric Noe, Diwakar Pawar, Dalephine Cain, “Dynamic NMR Studies of Carboxylic Acids,”  2001 Annual Biomedical Research Conference for Minority Students (ABRCMS), Orlando, Florida, November 3, 2001, Abstract No. 708.

 

Judge Brown, Eric Noe, Diwakar Pawar, Dalephine Cain, “Dynamic NMR Studies of Carboxylic Acids,” 10th Conference on Current Trends in Computational Chemistry,  Jackson, Mississippi, November, 1, 2001.

 

Judge Brown, Eric Noe, Diwakar Pawar, Dalephine Cain, “Conformational Study of 1, 2 - Cycloundecadiene,”  10th Conference on Current Trends in Computational Chemistry, Jackson, Mississippi, November, 1, 2001.

 

Dana Moton, Eric Noe, Richard Sullivan, Dalephine Cain, and Diwakar M. Pawar, “Interconversion of Carbon Sites in BCB Cyclodecane.” 10th Conference on Current Trends in Computational Chemistry, Jackson, Mississippi, November, 2, 2001.

 

MacShelle Stewart, Judge Brown, Diwakar Pawar, Maurice Harden, Dalephine Cain, Eric Noe, “Conformational Study of (Delta)9,10 Octalin”  10th Conference on Current Trends in Computational Chemistry, Jackson, Mississippi, November, 3, 2001.

 

Eric A. Noe, Judge Brown, and Diwakar M. Pawar, “Conformational Study of 1, 2 - Cycloundecadiene,” 223^rd ACS National Meeting, Orlando, Florida, April 10, 2002, Abstract No. 327 of the Organic Division.

 

MacShelle Stewart, Maurice Harden, Dalephine Cain, Judge Brown, Diwakar Pawar, and Eric A. Noe, “Conformational Study of Delta (9,10) Octalin.” 223^rd ACS National Meeting, Orlando Florida, April 8, 2002,  Abstract No. 706 of the Chemical Education Division.

 

Dalephine Cain, Diwakar M. Pawar, and Eric A. Noe, “Conformational Studies of t - Cycloheptene Oxide and the Corresponding Cyclopropane ,” 224^th ACS National Meeting, Boston, Massachusetts, August 20, 2002, Abstract No.  of the Organic Division.

 

Judge Brown, Diwakar Pawar, Eric Noe, “Conformational Studies of cis - and trans - Cycloundecenes by Dynamic NMR Spectroscopy and Computational Methods ,”  11th Conference on Current Trends in Computational Chemistry, Jackson, Mississippi, November, 1, 2002.

 

Dalephine Cain, Diwakar M. Pawar, and Eric A. Noe “Conformational Studies of trans - Cycloheptene, trans - Cycloheptene Oxide, and trans - Bicyclo [ 5.1.0 ] Octane” 11th Conference on Current Trends in Computational Chemistry, Jackson, Mississippi, November, 1, 2002.

 

Dalephine Cain,  Diwakar M. Pawar, and Eric A. Noe, “Conformational Studies of Cyanoformate ( HCO₂CN ) and Related Compounds”  11th Conference on Current Trends in Computational Chemistry, Jackson, Mississippi, November, 1, 2002.

 

Judge Brown, Diwakar Pawar, Eric Noe, “Conformational Studies of Cycloundecane by Dynamic NMR Spectroscopy and Computational Methods ,” 44^th Experimental Nuclear Magnetic Resonance Conference, Savannah, Georgia, March 30 - April 4, 2003.

 

Judge Brown, Diwakar Pawar, Eric Noe, “Conformational Studies of cis – and trans -Cycloundecenes by Dynamic NMR Spectroscopy and Computational Methods, ”44^th Experimental Nuclear Magnetic Resonance Conference, Savannah, Georgia, March 30 - April 4, 2003.

Dalephine Cain,  Diwakar M. Pawar, and Eric A. Noe, “Conformational Studies of Cyanoformate ( HCO₂CN ) and Related Compounds”  225^th ACS National Meeting, New Orleans, Louisiana, March 26, 2003, Abstract No. 565 of the Organic Division.

 

Dalephine Cain, Arnaldo E. Marrero, Judge Brown, Diwakar M. Pawar, and Eric A. Noe “Conformational Studies of Cyclopentadecane” 12th Conference on Current Trends in Computational Chemistry, Jackson, Mississippi, November 1, 2003.

 

Dalephine Cain,  Diwakar M. Pawar, and Eric A. Noe, “Conformational Studies of Trityl Formate and Trityl Formamide”  12th Conference on Current Trends in Computational Chemistry, Jackson, Mississippi, November 1, 2003.

 

Judge Brown, Diwakar M. Pawar, and Eric A. Noe “Conformational Studies of Cyclotridecane” 12th Conference on Current Trends in Computational Chemistry, Jackson, Mississippi, November 1, 2003.

 

Charles Langley and Eric A. Noe “Conformational Studies of Performic Acid, Peracetic Acid and Methyl Performate”, 227^th ACS National Meeting, Anaheim, California, March 28, 2004, Abstract No. 299  of the Organic Division.

 

Dalephine Cain, Arnaldo E. Marrero, Judge Brown, Diwakar M. Pawar, and Eric A. Noe “Conformational Studies of Cyclopentadecane”, 227^th ACS National Meeting, Anaheim, California, March 30, 2004, Abstract No. 301 of the Organic Division.

 

Judge Brown, Diwakar M. Pawar, Eric A. Noe, “Conformational Studies of cis – and trans -Cycloundecenes by Dynamic NMR Spectroscopy and Computational Methods”, 227^th ACS National Meeting, Anaheim, California, March 30, 2004, Abstract No. 298 of the Organic Division.

 

Judge Brown, Diwakar M. Pawar, Eric A. Noe, “Conformational Studies of Cycloundecane by Dynamic NMR Spectroscopy and Computational Methods ,” 227^th ACS National Meeting, Anaheim, California, March 30, 2004, Abstract No. 297 of the Organic Division.

 

Dalephine Davis,  Diwakar M. Pawar, and Eric A. Noe, “Conformational Studies of Triphenylmethyl  Formate and Triphenylmethyl Formamide”, 227^th ACS National Meeting, Anaheim, California, March 30, 2004, Abstract No. 300 of the Organic Division.

 

Gurvinder Gill and Eric A. Noe, “Conformational Study of Thioformic Anhydride by Computational Methods”, 4^th Southern School of Computational Chemistry, Orange Beach, Alabama, March 26, 2004.

 

Jose Luis Moncada Reyes , Diwakar M. Pawar and Eric A. Noe, “Conformational Studies of Cyclic Dienes and Cycloalkynes by Computational Methods”, NSF-CREST Summer Research Program, Biloxy, Mississippi, July 27, 2004.

Eric A. Noe, “Conformational Studies of Organic Compounds by Dynamic NMR Spectroscopy and Computational Methods”, SMASH, Small Molecule NMR Conference, Brackenridge, Colorado, September 12, 2004.