Towards the Understanding of Structural Changes of Anticonvulsants

Have you ever wondered how we know the structures of molecules and even of atoms? -- Welcome to SPECTROSCOPY, which uses electromagnetic radiation to interrogate matter.

In my lab we focus on the understanding of the interactions between molecules because the key to understanding a molecule's behavior is to first understand its structure and then how it interacts with its immediate surroundings. Currently we are studying succinimides, a class of molecules that act as anticonvulsants are used to mitigate the effects of absence seizures. The lab is going in two directions and we are excited to have you join either project!

  1. The role that is played by the phenyl ring in the mechanism of action of certain anticonvulsants is still under active investigation. To probe this phenyl ring more directly we will use our newly acquired, tunable pulsed laser system to record vibronically resolved electronic spectra of a series of phenylsuccinimides using our Resonance-enhanced Multiphoton Ionization – Time-of-flight (REMPI-TOF) mass spectrometer. The three molecules we will target this summer are phensuximide, N-phenyl succinimide, and 4-amino phthalimide. 
  2. We have recorded high resolution rotation spectra of several molecules that contain the succinimide group. To fully understand the structure, we need to finish analyzing and fitting the spectra to determine the key molecular parameters using specialized software written for the purpose, and then compare these experimental results with the predictions of electronic structure calculations. We will also extend this project to perform the calculations of the water clusters to start gaining molecular-scale understanding of aqueous solvation for the succinimide motif. 

We are a molecular spectroscopy lab, which means you will gain expertise in a versatile set of skills. We are an experimental group, working with fast electronics, high vacuum, and supersonic expansions that cool the molecules within a few degrees of absolute zero. We analyze our data using quantum principles, existing software, and develop our own analysis programs. We also run electronic structure calculations to aid in the analysis and understanding of our data. You will participate in all of these endeavors, tailor-made to your own interests. 

Note: Write a one-page essay maximum answering the following questions: Why do you think the MolSpec lab is the right fit for you? What project interests you the most? 

 

Name of research group, project, or lab
MolSpec Lab
Why join this research group or lab?

Our research has its foundation in physical chemistry but uses instrumental methods that stretch far beyond those borders. Thus, students in my lab participate in a multidisciplinary research team, that uses physics, and engineering to study chemically important problems. If you are curious about working with state-of-the-art instrumentation, solving spectroscopic puzzles, and learning how to read literature, MolSpec may be the place for you!

Logistics Information:
Project categories
Chemistry
Physics
Student ranks applicable
First-year
Sophomore
Junior
Student qualifications

The research is accessible to ALL academic levels. There are no mandatory skills or background required. Most of what you will need you will learn on the go. However, your present skills and knowledge will determine the level of responsibility you will get on the project at the beginning.

Time commitment
Summer - Full Time
Compensation
Paid Research
Number of openings
3
Techniques learned

Depending on the part of the project you focus on:

  • Students in my lab become familiar with electronic spectroscopy, the fundamental principles behind it and how to analyze a spectrum.
  • Students learn how to run electronic structure calculations, gain intuition for the different molecular arrangements and a stronger working knowledge of quantum principles. They also become knowledgeable about electronic structure software packages like Gaussian.
  • Students in my lab will become familiar with essential tools in information technology,  digital oscilloscopes, and a wide-range of digital electronics.
  • Students in my lab become familiar with how to safely operate state-of-the-art lasers.
  • Students in my lab become familiar with rotational spectroscopy, the fundamental principles behind it and how to analyze a spectrum using existing software such as PGOPHER to determine the rotational constants.
Project start
Summer
Contact Information:
Mentor
Alicia Hernandez-Castillo
ahernandezcastillo@hmc.edu
Assistant Professor
Name of project director or principal investigator
Alicia Hernandez Castillo
Email address of project director or principal investigator
ahernandezcastillo@g.hmc.edu
3 sp. | 18 appl.
Hours per week
Summer - Full Time
Project categories
Chemistry (+1)
ChemistryPhysics