Synthesis and Modeling of Transition Metal Complexes Using Histidine as the Ligand.
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1
Prairie View A&M University, United States
Falonne Moumbogno Tchodimo Colbie, B.S., Prairie View A&M University
Chair of Advisor Committee: Dr. Huan-Jun Fan
This project investigated the interactions between metal cofactors and various
Amino Acids that were formed as metal complexes in general, but in that specific case
Histidine is the amino acid used. The first approach to create these transition metal
complexes is by mixing amino acid (Histidine) and different transitional metal (Zinc,
Copper, and Nickel) in water. It is after a couple tries that a good result was obtained. As
shown in UV-vis and IR, this procedure formed a metal-Histidine complex. This was the
laboratory portion of this project. To further advance the understanding of such
interactions between the metal cofactor and amino acids, the project employed
computational modeling using density functional theory (DFT) and Solvation model to
predict the binding mode of these complexes. The complexes were built on Linux
operating system and Gaussian View. Operating on the functional set of 6-311g 2stars
and the basic set of B3LYP. There are three nitrogen atoms and one oxygen atoms that
can be used to bind the metal within the molecule of Histidine, it was important to
explored different binding mode between the metal and histidine to see at which point the
binding will occur. Whish will determine the structure of the molecule to be formed.
While doing that, it was discovered that possibilities of hydrogen bonding could exist
within the molecule. Having hydrogen bonds could have an effect on the bonding of the
metal and the Histidine. As matter of fact, two forms of Histidine were used, form D and
E. The most stable molecule of Histidine is the zwitterion form, which is coming from
the Form E. It is only possible to have one hydrogen bonding with the zwitterion form
despite it being the most stable. On the other hand, form D gave a lot of possibilities.
Single hydrogen bond and double hydrogen bond were induced. The final result was that
the molecule will always end up with two hydrogen bonding. So, within the Histidine
molecule, it is possible to have the formation of two hydrogens bond before the molecule
could be connected to the metal. This molecule was connected to the metal, forming the
final product needed successfully. However, more studies need to be completed on the
different structures that the final product (the metal complex) might bring
Acknowledgements
Dr. Hua-Jun Fan
Dr. Gina Chiarella
Chemistry department in Prairie View A&M University.
References
Clackamas Community College ©1998, 2002, 2011 Clackamas Community College, Hal Bender, Dave Arter, Eden Francis.
Charles E. Virtual Chembook, Elmhurst College, c. 2003
Dictionary of Unfamiliar Words by Diagram Group Copyright © 2008 by Diagram Visual Information Limited
Kortagere, Sandhya, Matthew D. Krasowski, and Sean Ekins. “The Importance of Discerning Shape in Molecular Pharmacology.” Trends in pharmacological sciences 30.3 (2009): 138–147. PMC. Web. 28 June 2016.
Keywords:
Linux (Ubuntu) platform,
modeling,
Hydrogen bonding (H-bonding) interaction,
Histidine (His),
Metals,
zwitterion,
metal complex
Conference:
National Organization for the Professional Advancement of Black Chemists and Chemical Engineers (NOBCChE) 45th Annual Conference , Orlando, Florida, United States, 17 Sep - 20 Sep, 2018.
Presentation Type:
Poster Presentation
Topic:
Inorganic and Materials Chemistry
Citation:
MOUMBOGNO TCHODIMO
FC,
Fan
H and
Chiarella
G
(2019). Synthesis and Modeling of Transition Metal Complexes Using Histidine as the Ligand..
Front. Chem.
Conference Abstract:
National Organization for the Professional Advancement of Black Chemists and Chemical Engineers (NOBCChE) 45th Annual Conference .
doi: 10.3389/conf.fchem.2018.01.00003
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Received:
03 Oct 2018;
Published Online:
17 Jan 2019.
*
Correspondence:
Mrs. FALONNE C MOUMBOGNO TCHODIMO, Prairie View A&M University, Prairie View, United States, MOUMBOGNO@YAHOO.FR