Bioinorganic Chemistry

19 Mar 2020

Online Seminar Talks

Submitted by Amanda Reig, Ursinus College
Evaluation Methods: 

Student summaries are simply graded as complete/incomplete and are checked to see that they did in fact watch the video. If student summaries are felt to be lacking substance or incomplete, we will indicate areas they can improve on future summary reports.

Description: 

In an attempt to find a substitute for our chemistry seminar program, I have found a number of YouTube videos of chemists giving seminar lectures, mostly between 2017-2020. The topics span a range of chemistry disciplines, and are all around 1 hour in length (typical seminar length).  I have not watched them, so I cannot vouch for video quality. Feel free to add additional links in the comments below if you know of or find any great talks.

We will ask students to select and watch a certain number of lectures from the list and then write and submit a one-page summary of the talk.

Prerequisites: 
Course Level: 
Learning Goals: 

A student should be able to summarize the key points of a lecture presented by a seminar speaker.

Corequisites: 
Time Required: 
1 hour
20 Feb 2020

Cisplatin and Anticancer Therapy: The Role of Chemical Equilibrium

Submitted by Jack F Eichler, University of California, Riverside
Evaluation Methods: 

1) Performance on the pre-lecture online quiz

2) Performance on the in-class activity (clicker scores or hand-graded worksheet)

Evaluation Results: 

Students generally score on average 70% or higher on the pre-lecture quiz, and on average 70% or more of students correctly answer the in-class clicker questions. 

Description: 

This is a flipped classroom module that covers the concept of dynamic equilibrium, and how dynamic equlibrium plays a role in the anticancer mechanism of the therapeutic cisplatin.This activity is designed to be done at the end of the typical second quarter/second semester general chemistry equilibrium unit. Students will be expected to have learned the following concepts prior to completing this activity:

a) understanding the concept of dynamic equilibrium;

b) understanding how equilibrium expressions are generated for chemical reactions that include aqueous solutions, gas phase reactants/products, and/or heterogeneous reactions;

c) understanding how to calculate the molarity of a solution and how to carry out basic stoichiometric conversions for chemical reactions.

Acknowledgement: This material is based upon work supported by the National Science Foundation under Grant No. 1504989. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.

 

 

Learning Goals: 

Students are expected to achieve the following learning objectives:

a) using ICE tables to calculate the equilibrium concentration of reactants and/or products;

b) using ICE tables and stoichiometric calculations to predict what initial concentration of reactant would be required to yield a specific concentration of product at equilibrium;

c) understanding the concept of Le Chatelier’s principle and how equilibrium reactions will respond to changes in concentration of reactant and/or product;

d) being able to calculate the reaction quotient (Q), and relating the reaction quotient to explain whether a reaction has reached dynamic equilibrium or not.

e) connecting the concept of chemical equilibrium to the real-world application of anticancer therapeutics and how the drug cisplatin imparts tumor cell death.

 

Topics Covered: 
Corequisites: 
Course Level: 
Prerequisites: 
Implementation Notes: 

See attached instructor notes. 

Time Required: 
50-80 minutes
18 Oct 2019

Mechanisms of Mn-catalyzed water oxidation reactions

Submitted by Margaret Scheuermann, Western Washington University
Evaluation Methods: 

I did not grade this activity. 

Evaluation Results: 

Three students out of 14 explicitly mentioned that this activity was helpful on the free response section of the course evaluations.

 

Description: 

This LO is an in-class assignment to prepare students for literature readings involving catalytic cycles in which multiple protons and electrons are transferred. Two catalytic mechanisms, a proposed OEC mechanism and the proposed mechanism of a biomimetic OEC complexes are included. The intermediates are drawn including all charges and oxidation states, details which are sometimes omitted in the primary literature but can be helpful to students who are not accustomed to looking at multistep catalytic cycles. Students are then asked to add in the substrates and products entering and leaving the catalytic cycle. While this is, at its heart, a stoichiometry excercise, it helps calibrate students for the level of attention to detail needed to effectively engage with reading about bioinorganic catalytic mechanisms.

Learning Goals: 

After completing this activity:

A student will be able to follow along with each step in  proposed water oxidation mechanims in the literature.

A student will be able to apply their knowledge of stoichiomety to complex catalytic cycles involving electron transfer.

A student will be able to analyze and compare the details of catalytic cycles.

Corequisites: 
Subdiscipline: 
Prerequisites: 
Implementation Notes: 

I used this activity during a lab lecture before an inorganic laboratory experiment in which students would be preparing and testing an OEC mimic. The procedure we used was roughly based on a published procedure (J. Chem Ed. 2005, 82, 791) linked in web resources. 

I began the class period with a brief introduction to the chemistry of photosynthesis and where water oxidation and PSII fit in the broader picture. I then introduced the mimic that students would be preparing and the chemistry of the Oxone (R) triple salt. 

Students then worked in groups to complete this activity and discuss their structural and mechanistic observations. After the activity they were encouraged to read the papers referenced in the activity and to think about the evidence that supports the proposed mechanism.

 

Other implementation options:

While I used this activity as part of a lab lecture it could also be used to stimulate a discussion comparing structure/mechanism of biological and biomimetic systems in a lecture setting without the accompaning laboratory work.

This could also be modified for use as an equation balancing excercise in a majors or honors general chemistry course.

Time Required: 
10-20 minutes
9 Oct 2019

2019 Nobel Prize - Li-ion battery LOs

Submitted by Barbara Reisner, James Madison University

Congratulations to the 2019 recipients of the Nobel Prize - John B. Goodenough, M. Stan Whittingham and Akira Yoshino. It's a well deserved honor!

There are several LOs on VIPEr that talk about lithium ion batteries and related systems. The 2019 Nobel is a great opportunity to include something about these batteries in your class.

I hope to see more LOs in the coming weeks so we can bring this chemistry into our classrooms!

Prerequisites: 
Corequisites: 
8 Jun 2019

VIPEr Fellows 2019 Workshop Favorites

Submitted by Barbara Reisner, James Madison University

During our first fellows workshop, the first cohort of VIPEr fellows pulled together learning objects that they've used and liked or want to try the next time they teach their inorganic courses.

3 Jan 2019

Venn Diagram activity- What is inorganic Chemistry?

Submitted by Sheila Smith, University of Michigan- Dearborn
Evaluation Methods: 

I did not assess this piece, except by participation in the discussion

Evaluation Results: 

I asked my students to write an open ended essay to answer the question (asked in that first day exercise): What is Inorganic Chemistry.

Interestingly, 2 of my 15 students drew a version of this Venn Diagram to accompany their essays.

Description: 

This Learning Object came to being sort of (In-)organically on the first day of my sophomore level intro to inorganic course. As I always do, I started the course with the IC Top 10 First Day Activity. (https://www.ionicviper.org/classactivity/ic-top-10-first-day-activity).  One of the pieces of that In class activity asks students- novices at Inorganic Chemistry- to sort the articles from the Most Read Articles from Inorganic Chemistry into bins of the various subdisciplines of Inorganic Chemistry.  As the discussion unfolded, I just sort of started spontaneously drawing a Venn Diagram on the board.  

I think Venn diagrams are an excellent logic tool, one that is too little applied these days for anything other than internet memes.  This is a nice little add-on activity to the first day.
 

Your Venn diagram will likely look different from mine.  You're right.

 

Learning Goals: 

The successful student should be able to:

  • identify the various sub-disciplines of inorganic chemistry.  
  • apply the rules of logic diagrams to construct overlapping fields of an Venn diagram.

 

Prerequisites: 
Corequisites: 
Equipment needs: 

colored chalk may be handy but not required.

Implementation Notes: 

I used this activity in conjuction with a first day activity LO (also published on VIPEr).

I shared a clean copy (this one) with the students after the class where we discussed this.

 

Time Required: 
10-15 minutes
6 Jul 2018

Getting to Know the MetalPDB

Submitted by Anthony L. Fernandez, Merrimack College
Evaluation Methods: 

I reviewed student answers to this assignment and evaluated their contributions to the discussion that took place. I also tried to keep track of how much they used information obtained from this site during their literature presentations.

 
Evaluation Results: 

This assignment is quite straightforward and the 6 of 8 students who completed the assignment had little trouble coming up with correct answers for all of the questions.

 

At the end of the semester, each student had to give two presentations on bioinorganic topics. They were expected to discuss the metal coordination environment and how "normal" it was, as well as the possibility of substituting another metal into the coordination sphere. One student used information from the MetalPDB in both of her presentations, three students used information in one of their presentations, and four students did not include information from the site in either presentation.

 

Description: 

When teaching my advanced bioinorganic chemistry course, I extensively incorporate structures from Protein Data Bank in both my assignments and classroom discussions and mini-lectures. I also have students access structures both in and out of class as they complete assignments.

 

I expect my students to use this site to obtain information for their assignments and presentations. This activity is a self-paced introduction to the site that my students complete outside of class. This activity has students use the site to obtain information about metal coordination environments, the common geometries adopted by metals in biological environments, and the common ligands that are used to bind metals.

Learning Goals: 

After completing this exercise, students should be able to:

  • access the MetalPDB site,

  • obtain statistics pertaining to the number of metal-containing structures in the PDB,

  • determine the most common geometry observed for a particular metal in a biological structure,

  • identify the most common ligands attached to the metal when bound in a biological macromolecule, and

  • find information such as the function of, the coordination geometry of, and the coordinated ligands bound to a metal ion in a specific structure from the PDB.

Equipment needs: 

Students need access to the internet and a web browser that is capable of running JavaScript and JSmol. This site is accessible on devices running iOS, but the layout of the site works better on a laptop screen.

Prerequisites: 
Corequisites: 
Implementation Notes: 

I used the MetalPDB site for the first time in my Bioinorganic Chemistry course during the Spring 2018 semester. I routinely use the PDB to access structures of metal-containing biological macromolecules in both my advanced and foundation-level courses, but it can be very hard to find structures wth specific metals. I used this site to find structures that I could use as examples in class.

 

I also have students use the site to get background information about metal geometry and common ligands for their assignments and presentations. I ask them to complete this activity outside of class. I usually distribute this as a Google Doc to my students (through Google Classroom) so that I have access to all of their responses.

 

For several of the questions/groups of questions, I assign individual members of the class specific geometries (question #5), metals (questions #6-9), or PDB structures (questions #11-13) and we pool their answers in class. We then spend about 30-45 minutes in class discussing the results and search for commonalities and connections to other structures that we have already discussed in class.

 
Time Required: 
1-2 hours (outside of class by student); 30-45 minutes in class (including discussion of related topics)
23 Jun 2018
Evaluation Methods: 

Students answer several questions prior to the in class discussion. These answers can be collected to assess their initial understanding of the paper prior to the class discussion. Assessment of the in class discussion could be based on students’ active participation and/or their written responses to the in class questions.

Evaluation Results: 

This Learning Object was developed as part of the 2018 VIPEr Summer Workshop and has not yet been used in any of our classes, but we will update this section after implementation.

Description: 

This is a literature discussion based on a 2018 Inorganic Chemistry paper from the Lehnert group titled “Mechanism of N–N Bond Formation by Transition Metal–Nitrosyl Complexes: Modeling Flavodiiron Nitric Oxide Reductases“(DOI: 10.1021/acs.inorgchem.7b02333). The literature discussion points students to which sections of the paper to read, includes questions for students to complete before coming to class, and in class discussion questions. Several of the questions address content that would be appropriate to discuss in a bioinorganic course. Coordination chemistry and mechanism discussion questions are also included.

 

Corequisites: 
Prerequisites: 
Learning Goals: 

A successful student will be able to:

  • Evaluate structures of metal complexes to identify coordination number, geometry (reasonable suggestion), denticity of a coordinated ligand, and d-electrons in FeII/FeIII centers.

  • Describe the biological relevance of NO.

  • Identify the biological roles of flavodiiron nitric oxide reductases.

  • Identify the cofactors in flavodiiron nitric oxide reductase enzymes and describe their roles in converting NO to N2O.

  • Describe the importance of modeling the FNOR active site and investigating the mechanism of N2O formation through a computational investigation.

  • Explain the importance of studying model complexes in bioinorganic chemistry and analyze the similarities/differences between a model and active site.

  • Write a balanced half reaction for the conversion of NO to N2O and analyze a reaction in terms of bonds broken and bonds formed.

  • Interpret the reaction pathway for the formation of N2O by flavodiiron nitric oxide reductase and identify the reactants, intermediates, transition states, and products.

 

A successful advanced undergrad student will be able to:

  • Explain antiferromagnetic coupling.

  • Apply hard soft acid base theory to examine an intermediate state of the FNOR mechanism and apply the importance of the transition state to product formation of N2O.

  • Apply molecular orbitals of the NO species and determine donor/acceptor properties with the d-orbitals of the diiron center.

Implementation Notes: 

This paper is quite advanced and long, so faculty should direct students to which sections they should read prior to the class discussion. Information about which parts of the paper to read for the discussion are included on the handout. Questions #7 and #8 are more advanced, and may be included/excluded depending on the level of the course.

Time Required: 
In-Class Discussion 1-2 class periods depending on implementation.
23 Jun 2018

Interpreting Reaction Profile Energy Diagrams: Experiment vs. Computation

Submitted by Douglas A. Vander Griend, Calvin College
Evaluation Methods: 

Having not run this yet because it was collaboatively developed as part of a IONIC VIPEr workshop, we suggest grading questions 1-9 for correctness, either during or after class. Students should be tested later with additional questions based on reaction profiles. The final 3 questions should prepare students to constructively discuss the merits/limitations of computational methods. after discussion, students could be asked to submit a 1-minute paper on how well they can describe the benefits/limitations of compuational chemistry.

Evaluation Results: 

Once we use this, we will report back on the results.

Description: 

The associated paper by Lehnert et al. uses DFT to investigate the reaction mechanism whereby a flavodiiron nitric oxide reductase mimic reduces two NO molecules to N2O. While being a rather long and technical paper, it does include several figures that highlight the reaction profile of the 4-step reaction. This LO is designed to help students learn how to recognize and interpret such diagrams, based on free energy in this case. Furthermore, using a simple form of the Arrhenius equation (eq. 8 from the paper) relating activation energy, temperature and rate, the student can make some initial judgements about how well DFT calculations model various aspects of a reaction mechanism such as the structure of intermediates and transition states, and free energy changes.

Learning Goals: 
Upon completing this activity, students will be able to:
  1. Interpret reaction profile energy diagrams.

  2. Use experimental and computational data to calculate half lives from activation energies and vice versa.

  3. Assess the value and limitations of DFT calculations.

Prerequisites: 
Course Level: 
Corequisites: 
Implementation Notes: 

Having not run this with a class, we can only suggest that this activity be run in a single class period.

We presume that students have been exposed to the basic idea of reaction profiles.

Teacher should hand out the paper ahead of time and reassure students that they are not going to be expected to understand many of the details of this dense computational research paper. Instead, students should read just the synopsis included on the handout.Teacher should then spend 5 - 10 minutes summarizing key aspects of paper: 1) it's about a nitric oxide reductase mimic that catalyzes the reaction 2NO → N2O + O; 2) NO is important signaling molecule; 3) DFT is a computational method to model almost any chemical molecule, including hypothetical intermediates and transition states.

Students should work through questions in groups of 2 - 4. The final question (12) is somewhat openended and the teacher should be prepared to lead a wrap up discussion on the benefits and limitations of computational chemistry.

Time Required: 
50 minutes
22 Jun 2018
Evaluation Methods: 

An answer key is included for faculty.

Evaluation Results: 

This LO was developed for the summer 2018 VIPEr workshop, and has not yet been implemented.  Results will be updated after implementation.

Description: 

This acitivty is a foundation level discussion of the Nicolai Lehnert paper, "Mechanism of N-N Bond Formation by Transition Metal-Nitrosyl Complexes: Modeling Flavodiiron Nitric Oxide Reductases".  Its focus lies in discussing MO theory as it relates to Lewis structures, as well as an analysis of the strucutre of a literature paper.

Prerequisites: 
Corequisites: 
Course Level: 
Learning Goals: 

Upon completion of this activity, students will be able to:

  1. Write a balanced half reaction for the conversion of NO to N2O and analyze a reaction in terms of bonds broken and bonds formed.

  2. Evaluate the structures of metal complexes to identify coordination number, geometry (reasonable suggestion), ligand denticity, and d-electron count in free FeII/FeIII centers.

  3. Recognize spin multiplicity of metal centers and ligand fragments in a complex.

  4. Interpret a reaction pathway and compare the energy requirements for each step in the reaction.

  5. Draw multiple possible Lewis Structures and use formal charges to determine the best structure.

  6. Draw molecular orbital diagrams for diatomic molecules.

  7. Identify the differences in bonding theories (Lewis vs MO), and be able to discuss the strengths and weaknesses of each.

  8. Interpret calculated MO images as σ or π bonds.

  9. Identify bond covalency by interpreting molecular orbital diagrams and data.

  10. Define key technical terms used in an article.

  11. Analyze the structure of a well written abstract.

  12. Identify the overall research goal(s) of the paper.

  13. Discuss the purposes of the different sections of a scientific paper.

Implementation Notes: 

The paper in which this discussion is centered around is very rich in concepts, and will take time for students to digest.  As the technical level is higher than most foundation level course, it is strongly recommended that students focus on the structure of the paper, and not the read the entire paper.  The discussion is modular with focuses on both MO theory drawn form the paper, as well as a general anatomy of how literature papers are organized and what constitutes a good abstract.  Either focus could take a single 50 minute lecture, with two being necessary to complete both aspects.  Instructors can choose either focus, or both depending on their course learning goals.

This was developed during the 2018 VIPEr workshop and has not yet been implemented.  The above instructions are a guide and any feedback is welcome and appreciated!

Time Required: 
One or two 50 minute lectures depending on instructor's desired focus

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