Award Abstract # 1229400
MRI: Acquisition of a single-crystal diffractometer for the University of Minnesota

NSF Org: CHE
Division Of Chemistry
Recipient: REGENTS OF THE UNIVERSITY OF MINNESOTA
Initial Amendment Date: August 30, 2012
Latest Amendment Date: August 30, 2012
Award Number: 1229400
Award Instrument: Standard Grant
Program Manager: Carlos Murillo
CHE
 Division Of Chemistry
MPS
 Directorate for Mathematical and Physical Sciences
Start Date: September 15, 2012
End Date: August 31, 2015 (Estimated)
Total Intended Award Amount: $255,850.00
Total Awarded Amount to Date: $255,850.00
Funds Obligated to Date: FY 2012 = $255,850.00
History of Investigator:
  • John Ellis (Principal Investigator)
    ellis@umn.edu
  • Lawrence Que (Co-Principal Investigator)
  • William Tolman (Co-Principal Investigator)
  • Changquan Sun (Co-Principal Investigator)
  • Connie Lu (Co-Principal Investigator)
Recipient Sponsored Research Office: University of Minnesota-Twin Cities
2221 UNIVERSITY AVE SE STE 100
MINNEAPOLIS
MN  US  55414-3074
(612)624-5599
Sponsor Congressional District: 05
Primary Place of Performance: University of Minnesota - Twin Cities
200 Oak Street SE
Minneapolis
MN  US  55455-2070
Primary Place of Performance
Congressional District:
05
Unique Entity Identifier (UEI): KABJZBBJ4B54
Parent UEI:
NSF Program(s): Chemical Instrumentation
Primary Program Source: 01001213DB NSF RESEARCH & RELATED ACTIVIT
Program Reference Code(s): 1189, 1948, 1982, 6884, 7905, 8650
Program Element Code(s): 193800
Award Agency Code: 4900
Fund Agency Code: 4900
Assistance Listing Number(s): 47.049

ABSTRACT

With this award from the Major Research Instrumentation Program that is co-funded by the Chemistry Research Instrumentation and Facilities (CRIF) Program, Professor John Ellis from University of Minnesota-Twin Cities and colleagues Lawrence Que, William Tolman, Calvin Sun and Connie Lu will acquire a single crystal diffractometer with a compact copper radiation source, photon detector and a top-of-the-line cryostat capable of collecting high-resolution diffraction data on very small specimens. The proposal is aimed at enhancing research training and education at all levels, especially in areas such as (a) hydrocarbon-stabilized metal-atom reagents; (b) electron-transfer molecular catalysts; (c) bioinorganic studies of metallo-copper enzymes and synthesis of sustainable polymeric materials; (d) study and optimization of the physico-mechanical properties of drugs; (e) model complexes of non-heme iron metalloenzymes; (f) design of biologically active agents; (g) synthetic routes to biologically active compounds; (h) Pro-Leu-Gly-NH2 and dopamine receptor modulation study and anthrax toxin lethal factor inhibition; and (i) study of parthenolide and helenalin analogues.

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 the University of Minnesota but also at neighboring colleges and universities in the Twin Cities area.

PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH

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(Showing: 1 - 10 of 19)
Biswas, A. N.; Puri, M.; Meier, K. K.; Oloo, W. N.; Rohde, G. T.; Bominaar, E. L.; Münck, E.; Que, L., Jr. "Modeling TauD-J: A High-Spin Nonheme Oxoiron(IV) Complex with High Reactivity Toward C?H Bonds" J. Am. Chem. Soc. , 2015
B. Lou, S.R. Perumalla and C.C. Sun* "Significant Expansion of the Solid State Landscape of Salicylic Acid Based on Charge-Assisted Hydrogen Bonding Interactions" Cryst. Growth Des. , 2015
B. Lou, S. R. Perumalla, C. C. Sun "From molecular salt to pseudo CAB cocrystal: Expanding solid-statelandscape of carboxylic acids based on charge-assisted COOH/COO-hydrogen bonds" Journal of Molecular Structure , v.1099 , 2015 , p.516
Cammarota, Ryan C. and Vollmer, Matthew V. and Xie, Jing and Ye, Jingyun and Linehan, John C. and Burgess, Samantha A. and Appel, Aaron M. and Gagliardi, Laura and Lu, Connie C. "A Bimetallic Nickel?Gallium Complex Catalyzes CO 2 Hydrogenation via the Intermediacy of an Anionic d 10 Nickel Hydride" Journal of the American Chemical Society , v.139 , 2017 10.1021/jacs.7b07911 Citation Details
Clouston, L. J.; Bernales, V.; Carlson, R. K.; Gagliardi, L.; Lu, C. C. "Bimetallic Cobalt-Dinitrogen Complexes: Impact of the Supporting Metal on N2 Activation" Inorg. Chem. , 2015
Clouston, L. J.; Siedschlag, R. B.; Rudd, P. A.; Planas, N.; Hu, S.; Miller, A. D.; Gagliardi, L.; Lu, C. C. "Systematic Variation of Metal-Metal Bond Order in Metal-Chromium Complexes" J. Am. Chem. Soc. , v.135 , 2013 , p.13142 http://dx.doi.org/10.1021/ja406506m.
D. Dhar, W. B. Tolman "Hydrogen Atom Abstraction from Hydrocarbons by a Copper(III)-Hydroxide Complex" J. Am. Chem. Soc. , v.137 , 2015 , p.1322 10.1021/ja512014z
Dunn, P. L.; Reath, A. H.; Clouston, L. J.; Young Jr., V. G.; Tonks, I. A. "Homo- and heteroleptic group 4 2-(diphenylphosphino)pyrrolide complexes: Synthesis, coordination chemistry and solution state dynamics" Polyhedron , 2014 10.1016/j.poly.2014.06.047
Eisenhart, R. J.; Carlson, R. K.; Boyle, K. M.; Gagliardi, L.; Lu, C. C. "Synthesis and Redox Reactivity of a Phosphine-ligated Dichromium Paddlewheel" Inorg. Chim. Acta , 2015 10.1016/j.ica.2014.10.013
Eisenhart, R. J.; Rudd, P. A.; Planas, N.; Boyce, D. W.; Carlson, R. K.; Tolman, W. B.; Bill, E.*; Gagliardi, L.; Lu, C. C. "Pushing the Limits of Delta Bonding in Metal-Chromium Complexes with Redox Changes and Metal Swapping" Inorg. Chem. , 2015
England, J.; Prakash, J.; Cranswick, M. A.; Mandal, D.; Guo, Y.; Münck, E.; Shaik, S.; Que, L., Jr. "Oxoiron(IV) Complex of the Ethylene-Bridged Dialkylcyclam Ligand Me2EBC." Inorg. Chem. , 2015
(Showing: 1 - 10 of 19)

PROJECT OUTCOMES REPORT

Disclaimer

This Project Outcomes Report for the General Public is displayed verbatim as submitted by the Principal Investigator (PI) for this award. Any opinions, findings, and conclusions or recommendations expressed in this Report are those of the PI and do not necessarily reflect the views of the National Science Foundation; NSF has not approved or endorsed its content.

The award from the National Science Foundation, Major Research Instrumentation (MRI) program to the University of Minnesota-Twin Cities was used to purchase an X-ray diffractometer, an instrument that is used for X-ray diffraction of single crystals to determine the molecular structure within the crystal. This instrument was used continuously since start up. Approximately 150 samples were analyzed each year. The data collected on this instrument were used to increase fundamental knowledge in several disciplines, including chemistry, chemical engineering, materials science, and pharmacy/pharmaceutics. This knowledge was disseminated in conference presentations, peer-reviewed journal articles, book chapters, and graduate theses.

The diffractometer serves a dual role in educating and preparing the future workforce. The diffractometer is used in training graduate students and is integrated into a graduate-level course in single-crystal diffraction that is offered annually. During the award period, 32 graduate students and 2 undergraduates completed this course and became proficient in the technique of single-crystal diffraction. Many of students were able to apply their knowledge to solve structural problems relevant to their thesis research projects independently. Training in crystallography coupled with state-of-the-art instrumentation provided graduates of our Ph.D. program the additional crystallographic skills to be competitive in both academia and industry for future careers in science and engineering.

The diffractometer was also used in a three-day outreach workshop geared towards promoting research at primarily undergraduate institutions by teaching this community about single-crystal diffraction. During the award, four of these workshops were held. Several faculty members of Carleton College and University of St. Thomas and approximately 30 of their undergraduate students attended these workshops.  Besides providing a unique learning opportunity, these students were given hours of hands-on training on the diffractometer.


Last Modified: 11/09/2015
Modified by: John E Ellis

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