Utilizing the PDB and HSAB theory to understand metal specificity in trafficking proteins

Submitted by EGunn / Simmons College on Thu, 07/17/2014 - 15:19
Description

This is an in-class PDB exercise based on the paper "Mechanisms Controlling the Cellular Metal Economy" by Gilston and O'Halloran. Students are asked to visualize the metal binding sites of several proteins discussed in the paper, highlighting unusual metal geometries. After identifying the amino acid residues involved in metal binding, students will discuss the bond structure in terms of HSAB theory. 

Principles and imaging applications of CEST

Submitted by Justin / Northwestern University on Thu, 07/17/2014 - 15:19
Description

This five slides about chemical exchange transfer (CEST) discusses the magnetic properties of paramagnetic metal ions and their use as MR imaging agents. This includes tranditional contrast agents that affect the relaxation rate of nearby water protons and paramagnetic shift reagents suitable for CEST imaging applications. A recent redox-active cobalt complex is presented as an innovative agent for mapping redox imbalances in vivo.

Literature Discussion of "Mechanisms Controlling the Cellular Metal Economy"

Submitted by Kyle Grice / DePaul University on Thu, 07/17/2014 - 15:07
Description

This is a literature discussion of a review by Tom O'Halloran (The link to the paper is included in the "Web Resources" below). The review covers concepts of metal content in cells, metal trasport, storage, and regulation. Its a good review to start a broader or deeper discussion about metals in biology. We have provided some questions to help guide the student discussion. These questions can be given to students prior to coming to class, and the answers can either be used for the in-class discussion and/or collected. 

Cobalt Schiff Base Zinc Finger Inhibitors

Submitted by Peter Craig / McDaniel College on Thu, 07/17/2014 - 13:08
Description

This is a literature discussion based on the paper “Spectroscopic Elucidation of the Inhibitory Mechanism of Cys2

Exploring Post-Translational Modification with DFT

Submitted by Gerard Rowe / University of South Carolina Aiken on Thu, 07/17/2014 - 12:52
Description

This activity is designed to give students a deeper understanding of what post-translational modification does in a metalloenzyme using nitrile hydratase (NHase) as a model system.  The metallo-active site of NHase contains a cobalt(III) center that is bound to an unusual coodination sphere containing bis-amidate, cysteinate, sulfenate (RSO-), and sulfinate (RSO2-) ligands.

A Redox-Activated MRI Contrast Agent that Switches Between Paramagnetic and Diamagnetic States

Submitted by Vivian / Clemson University, Department of Chemistry on Wed, 07/16/2014 - 22:04
Description

Students are asked to read an article detailing the development of a cobalt-based MRI contrast agent ("A Redox-Activated MRI Contrast Agent that Switches Between Paramagnetic and Diamagnetic States", Tsitovich, P. B.; Spernyak, J. A.;  Morrow, J. R. Angew. Chem. Int. Ed. 201352, 14247-14250,  DOI: 10.1002/anie.201306394). Before coming to class the students are asked to answer a series of questions designed to guide them through the first half of the article, and to be prepared to discuss their answers in class.

Having fun with your own molecular models

Submitted by Arpita Saha / Georgia Southern University on Wed, 07/16/2014 - 15:04
Description

This is a fun chemistry project where students make model compounds to learn various structural aspects of the compound. This is an individual project that is each student is assigned with one compound.  They can use any item (for e.g. Styrofoam balls etc) to make their very own model compound. The model should contain all the atoms (visually distinctive), bonds, lone pairs. Student is expected to create something novel rather using molecular model kit. They can use text book and lecture material for the resources.

Employing 2D NMR and NOE to assign protons in an organometallic complex

Submitted by Sherzod / Northwestern University on Mon, 07/14/2014 - 18:00
Description

The following paper will be given to the students to read at home along with the questions in the attached document. Students will be allowed to discuss their answers in small groups and refine their answers, before the corresct answer is revealed.

Origins of Enantioselectivity during Allylic Substitution Reactions Catalyzed by Metallacyclic Iridium Complexes.

J. Am. Chem. Soc., 2012, 134 (19), pp 8136–8147

DOI: 10.1021/ja212217j

Application of binomial distribution to interpret 31P NMR for aqueous solution of alpha-dodecatungstophosphoric acid, H3[PW12O40]

Submitted by Poloxymetman / Canisius College on Mon, 07/14/2014 - 17:44
Description

31-P NMR spectrum of alpha-dodecatungstophosphoric acid is a combination of thirteen spectra, each spectrum representing the compound with a different number of 183W isotopes per molecule. In order to fully interpret the spectrum one needs to apply binomial distribution to calculate the mole fractions of the molecules with various numbers of 183W isotopes.

This LO requires an understanding of the satellites concept in NMR spectroscopy, originating from coupling with nuclei whose NMR active isotopes are not 100% abundant.