Dr. Bernard V. O’Hare, Ph.D.
Defense Threat Reduction Agency
United States Department of Defense
Current and Active DoD Security Clearance
ATTN (RD-BAS/BERNIE O’HARE)
DEFENSE THREAT REDUCTION AGENCY
8725 JOHN J KINGMAN RD STOP 6201
FORT BELVOIR VA 22060-6201
Telephone: (610) 390-1545; E-mail: bernard.o’firstname.lastname@example.org or private
2009 Ph.D. in Chemistry, The Pennsylvania State University, Research Advisor: Alan J.
2003 B.S. in Chemistry with honors, Moravian College, Bethlehem PA.
2009-present Defense Threat Reduction Agency (DTRA), Contractor in Basic Research.
2004-2009 Graduate Research Assistant, The Pennsylvania State University.
2003-04 Chemistry Teaching Assistant, The Pennsylvania State University.
2002-03 NMR Technician, Moravian College.
2001-03 Teaching Laboratory Assistant, Moravian College.
*NMR Facility, Department of Chemistry, The Pennsylvania State University.
Multinuclear High Resolution Liquid and Solid State NMR.
*NMR experiments and simulations to elucidate molecular motion and
dynamics of various systems.
*Investigations of the role of water in the hardening of hydrated cement phases
and other porous oxides (dissertation work).
*Translational diffusion via NMR in ionic liquids.
*Pulse sequence development and implementation for small molecules,
proteins, RNA, DNA, and solid state studies.
*1D, 2D, 3D NMR for molecular structure assignments of small molecules and
proteins up to 50 kDa.
*Avid interest in pulse sequence development to reduce the homonuclear
dipolar 1H coupling in solids under moderate (8-15 kHz) MAS speeds without
the CRAMPS implementation.
*Interest in development of multi-receiver techniques and experiments for both
the solid and high-resolution liquid state.
*Biological studies of proteins and RNA using NMR cryoprobes.
*Extensive work with cryoprobe systems and maintenance.
*I have worked collaboratively with Penn State’s Energy Institute and the
Materials Research Institute analyzing ethanol products, biodiesels, ceramics,
zeolites, and many other materials.
*Solid and liquid state NMR applications for the Department of Food Science
and the Energy Institute studying starch and various sugars.
*Cryogen fills and maintenance for all 13 superconducting magnets on campus.
*Experience in the design and move of the entire NMR facility from one
location to another.
*Experience using Bruker, Varian, Chemagnetics and Tecmag NMR
instrumentation as well as Linux, Irix, Unix, Sun, and WINDOWS computers.
*Experience in isothermal and differential scanning calorimetry as well as gas
*I have routinely used NMR as a tool to solve a multitude of problems for
faculty within my own department as well as many outside departments and
industrial clients such as Hondo Motors and Bruker-Biospin.
*I have co-taught a graduate level theoretical NMR course in which I lectured
on our developed computer programs to evaluate product operator formalism
for multi-spin systems as well as a more thorough description of the spin system
through the evolution of the density matrix when perturbed by some internal or
external Hamiltonian acting on the initial spin system via the Liouville von
*I’ve had several invited lectures to conferences, various classes and high schools.
*I also have significant experience using Mathematica for pulse program design
and development as well as for lineshape simulations for solid state NMR.
*Applications of 1H NMR to determine the kinetics and reactivity differences of
the geometrical isomers azulene and naphthalene.
*Extensive experience with RF electronics and signal processing techniques.
*Hyperspectra LIDAR and LADAR work.
*Budget and team management abilities.
*Contractor for DTRA in the area of energetic materials and weapons defeat.
*Experience in grant writing and reviewing as well as drafting new BAA’s and CALL’s.
*Experience with FOA protocol and COR guidelines.
*Active travelling documents.
*Strong mathematical background and extensive modeling experience with MATLAB,
Mathematica, Cheetah, etc…
*I am current on the active research being conducted in detection sciences and am aware of some
interesting passive techniques on the horizon.
2003-2004 General Chemistry Recitation T.A.
2003-2004 General Chemistry Laboratory T.A.
2007 Theoretical NMR
2006 47th Experimental Nuclear Magnetic Resonance Travel Award
2006 The Pennsylvania State University Travel Award
2007 The Pennsylvania State University Travel Award
Peer Reviewed Publications
1. “Room Temperature Solid Surface Water with Tetrahedral Jumps of 2H Nuclei
Detected in 2H2O-hydrated Porous Silicates”, Alan J. Benesi, Bernie O’Hare, Michael W.
Grutzeck, and John W. Phair, Journal of Physical Chemistry B, 108, 17783-17790, 2004.
2. “Room-Temperature Icelike Water in Kanemite Detected by 2H NMR T1 Relaxation”,
Alan J. Benesi, Bernie O’Hare, Michael W. Grutzeck, and John W. Phair, Langmuir, 21,
3. “Design, construction and NMR testing of a 1 Tesla Halbach Permanent Magnet for
Magnetic Resonance”, Xiaofeng Zhang, Venu Mahesh, David Ng, Ryan Hubbard, Amit
Ailiani, Bernie O’Hare, Alan Benesi and Andrew Webb, Proceedings of the COMSOL
Users Conference, Boston, 2005.
4. “Physical Properties of Ionic Liquids Consisting of the 1-Butyl-3-Methyl Imidazolium
Cation with Various Anions and the Bis(trifluoromethylsulfonyl)imide Anion with
Various Cations”, Hui Jin, Bernie O’Hare, Jing Dong, Sergei Arzhantsev, Gary A. Baker,
James F. Wishart, Alan J. Benesi, and Mark Maroncelli, Journal of Physical Chemistry
B, 112(1), 81-92, 2008.
5. “Solid state water motions revealed by deuterium relaxation in 2H2O-synthesized
kanemite and 2H2O-hydrated Na+-Zeolite A”, Bernie O’Hare, Michael W. Grutzeck,
Seong H. Kim, David, B. Asay, and Alan J. Benesi, Journal of Magnetic Resonance, 195,
6. “The first example of tautomerism in 2-aminopyrroles: effect of structure and solvent”,
Michael De Rosa, David Arnold, and Bernie O’Hare, Tetrahedron Letters, 50(1), 12-14,
7. “ 13C-Direct detection three dimensional spectroscopy with semi-constant time proton
chemical shift evolution for studies of intrinsically disordered proteins.” Bernie O’Hare,
Alan J. Benesi, Scott A. Showalter, Journal of Magnetic Resonance, 200(2), 354-358, 2009.
8. “Driving Forces for Nucleic Acid pKa Shifting: Effects of Helix Position, Temperature, and
Ionic Strength.” Nathan A. Siegfried, Bernie O’Hare, and Philip C. Bevilacqua, Biochemistry,
9. “Time averaged decoupled magic angle spinning (TADMAS) for the reduction of the
homonuclear dipolar interaction of protons is solids: Application at moderate spinning
rates with low power for proton resolution enhancement.” Bernie O’Hare, Journal of the
American Chemical Society, Manuscript in preparation. 2009.
10. “The role of water in the hydration process of tricalcium silicate: Towards a stronger
material.” Bernie O’Hare, Michael W. Grutzeck, and Alan J. Benesi, Journal of the American
Ceramic Society, Manuscript in preparation. 2009.
Mueller, Karl T.; Washton, Nancy M.; O’Hare, Bernie. “Liquid- and solid-state NMR
integrated across the analytical and physical chemistry curricula”. Abstracts of Papers,
230th ACS National Meeting, Washington, DC, United States, Aug. 28-Sept. 1, 2005
O’Hare, Bernie; Grutzeck, Michael W.; Kim, Seong H.; Asay, David B.; Benesi, Alan J.
“Rapid tetrahedral jumps of 2H nuclei with pseudoisotropic long term rotational diffusion
observed in hydrated zeolite A: A case for room temperature solid state water”. Abstracts
of Posters, 47th ENC International Meeting, Pacific Grove, CA, United States, April 23-
April 28, 2006 (2006). Benesi, Alan; O'Hare, Bernie; Grutzeck, Michael W.; Kim, Seong H.;
Asay, David B.
“Solid state water at room temperature in kanemite and Zeolite A”. Abstracts of Papers,
232nd ACS National Meeting, San Francisco, CA, United States, Sept. 10-14, 2006
O’Hare, Bernie; Grutzeck, Michael W.; Kim, Seong H.; Asay, David B.; Benesi, Alan J.
“Tetrahedral Jumps of the O-2H Covalent Bond Vector with Pseudoisotropic Long Term
Rotational Diffusion: A New Relaxation Model for Water in Nanoporous Materials.”
Abstracts of Posters, 49th Rocky Mountain Conference on Analytical Chemistry,
Breckenridge, CO, United States, July 22nd-26th 2007 (2007).
Eighth International Symposium on Special Topics in Chemical Propulsion, Cape Town, South
Africa, November 02 – 06, 2009.
O’Hare, Bernie. “Deutsch in den Wissenschaften.” Central Catholic High school,
Allentown, PA, 2008.
O’Hare, Bernie “Ice at room temperature: An investigation through nuclear relaxation.” Sixth
Annual Symposium on NMR in Education, Wilkes University, 2009.
*American Chemical Society
ACS Division of Physical Chemistry
*American Association for the Advancement of Science
*American Physical Society