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Award Abstract #1229426

MRI: Acquisition of a Single Crystal X-Ray Diffractometer

NSF Org: CHE
Division Of Chemistry
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Initial Amendment Date: August 29, 2012
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Latest Amendment Date: August 29, 2012
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Award Number: 1229426
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Award Instrument: Standard Grant
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Program Manager: Carlos A. Murillo
CHE Division Of Chemistry
MPS Direct For Mathematical & Physical Scien
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Start Date: September 1, 2012
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End Date: August 31, 2015 (Estimated)
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Awarded Amount to Date: $157,847.00
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Investigator(s): Arthur Utz autz@tufts.edu (Principal Investigator)
Terry Haas (Co-Principal Investigator)
Clay Bennett (Co-Principal Investigator)
Samuel Thomas (Co-Principal Investigator)
Elena Rybak-Akimova (Co-Principal Investigator)
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Sponsor: Tufts University
20 Professors Row
Medford, MA 02155-5807 (617)627-3417
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NSF Program(s): OFFICE OF MULTIDISCIPLINARY AC,
CHEMICAL INSTRUMENTATION
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Program Reference Code(s): 1108, 1189, 1253, 1938, 1948, 1982, 6884, 7237
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Program Element Code(s): 1253, 1938

ABSTRACT

With this award from the Major Research Instrumentation Program that is co-funded by the Chemistry Research Instrumentation and Facilities (CRIF) Program and the Office of Multidisciplinary Activities (OMA), Professor Arthur Utz from Tufts University and colleagues Terry Haas, Elena Rybak-Akimova, Clay Bennett and Samuel Thomas will acquire a single crystal X-ray diffractometer equipped with a CCD detector. The proposal is aimed at enhancing research training and education at all levels, especially in areas such as (a) mechanism-based design of selective, efficient, switchable receptors and catalysts for oxidations and other small molecule activation reactions; (b) design of functional organic materials; (c) design and development of catalysts for regioselective and enantioselective synthetic methods; (d) design of nanomaterials and nanocatalysts; (e) intermolecular interactions and self-assembly in fluorinated biomolecules; (f) functional polymer materials; (g) single molecules on surfaces; (h) biomimetic protein-based materials; and (i) design of cyclic peptides with enhanced affinity and selectivity of binding to their targets.

An X-ray diffractometer allows accurate and precise measurements of the full three dimensional structure of a molecule, including bond distances and angles, and provides accurate information about the spatial arrangement of a molecule relative to neighboring molecules. The studies described here will impact a number of areas, including organic and inorganic chemistry, materials chemistry and biochemistry. This instrument will be an integral part of teaching as well as research not only at Tufts University but also in a series of Boston area primarily undergraduate institutions that include Bridgewater State University, Emmanuel College and Suffolk University. Outreach to Braintree High School students and to deaf undergraduate students is being planned.


PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH

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(Showing: 1 - 10 of 13)
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Zhang, J.
Pawle, R.H.
Haas, T.E.
Thomas, S.W., III. "Combining Electronic and Speric Effects for Highly Stable Unsymmetric Pentacenes," Chem. Eur. J., v.20, 2014, p. 5880.

Yang, G.
Noll, B.C.
Rybak-Akimova, E.V.. "(2R,2?S?2,2?-Bipiperidine-1,1?-diium dibromide," Acta Cryst. E, v.69, 2013, p. o1711.

Makhlynets, O.V.
Oloo, W.N.
Moroz, Y.S.
Belaya, I.G.
Palluccio, T.D.
Filatov, A.S.
Mueller, P.
Cranswick, M.A.
Que, L., Jr.
Rybak-Akimova, E.V.. "H2O2 activation with biomimetic non-haem iron complexes and AcOH: Connecting the g=2.7 EPR signal with a visible chromophore," Chem. Comm., v.50, 2014, p. 645.

Boros, E.
Rybak-Akimova, E.V.
Holland, J.P.
Rietz, T.
Rotile, N.
Blasi, F.
Day, H.
Latifi, R.
Caravan, P.. "Pycap - a bifunctional, cage-like ligand for 64Cu radiolabeling," Molecular Pharmaceitics, v.11, 2014, p. 617.

Frausto, F.
Smith, Z.C.
Haas, T.E.
Thomas III, S.W.. "Two-dimensional bricklayer arrangements of tolans using halogen bonding interactions," Chem. Comm., v.51, 2015, p. 8825.

Pawle, R.H.
Haas, T.E.
Muller, P.
Thomas III, S.W.. "Twisting Phenylene-Ethynylene Oligomerswith Aromatic Interactions Between Side-Chains and Main-Chains," Chem. Sci., v.5, 2014, p. 4184.

Ullman, A.M.
Sun, D.J.
Graham, N.
Lopez, N.
NAva, M.
De Las Cuevas, R.
Muller, P.
Rybak-Akimova, E.V.
Cummins, C.C.
Nocera, D.G.. "Electron-transfer studies of a peroxide dianion," Inorg. Chem., v.53, 2014, p. 5384.

Yang, G.
Noll, B.C.
Rybak-Akimova, E.V.. "(2R,2?S?2,2?-Bipiperidine-1,1?-diium dibromide," Acta Crys. E., v.69(11), 2013, p. o1711.

Zhang, Z.
Pawle, R.H.
Haas, T.E.
Thomas II, S.W.. "Combining Electronic and Steric Effects for Highly Stable Unsymmetric Pentacenes," Chem. Eur. J., v.20, 2014, p. 5880.

Boros, E.
Rybak-Akimova, E.V.
Holland, J.P.
Rietz, T.
Rotile, N.
Blasi, F.
Day, H.
Latifi, R.
Caravan, P.. "Pycap ? a bifunctional, cage-like ligand for 64Cu radiolabeling," Molecular Pharmaceutics, v.11, 2014, p. 617.


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