Sunayana Mitra

Postdoctoral Research--> Currently, I am employed by University of Texas at Austin since Fall 2021. I work in the Baiz group, where I apply cutting edge laser spectroscopy to question biophysical interactions inside living systems. In my supervisor's (Prof. Carlos Baiz) lab, I utilize tools such as 2DIR spectroscopy, FTIR, Molecular biology, Molecular dynamics simulation, DFT computational chemistry to study ion-channels and ion-exchangers. All my projects are highly collaborative and at present I have 5 ongoing collaborations. I am collaborating with the neuroscience department and designing molecular biology and biochemistry experiments to understand signalling protein molecules' structure and function. During this postdoc, I work with a first year graduate student, mentoring and training her about 2DIR spectroscopy and protein chemistry. In the Baiz lab, I am involved in research, analysis, publishing, mentoring, and organizing an upcoming 2022 conference. Updated details of postdoctoral training can be found in my LinkedIn profile.

Graduate school--> I graduated from University of Pittsburgh on Fall 2021. I was a member of the Garrett-Roe Lab ultrafast spectroscopy team and was advised by Prof. Sean Garrett-Roe. My research focussed on :

  1. Understanding the behavior of small molecules (such as metal-carboxylates, protic ionic liquids, water) in condensed phases.
  2. Studying their structure and dynamics using infrared spectroscopy and computational chemistry.

Before graduate school-->

  1. A year in the Indian Institute of Science Bangalore, IPC department.
  2. One year in the University of Rochester (UoR),the BSCB department.
  3. MSc. and BSc. in Biochemistry --> University of Calcutta, Kolkata, India.

Two-dimensional infrared (2DIR) spectroscopy reports the changes in the environment of complex systems. 2DIR can provide insights on bulk properties such as metal-protein coordination geometry and binding site interactions, proton transport, and hydrogen bonding nature of protic ionic liquids and water.

  1. Managed multifaceted projects during my Ph.D.
  2. Developed new methods, analysis procedures to understand data behavior.
  3. Familiar with several laser spectroscopy instruments, computational chemistry, MATLAB & Python programming languages, LaTex & Adobe Illustrator type softwares.
  4. Extensively operated--> 2DIR laser spectrometer, Optical Parametric Amplifier, Oscillators. The UK CLF RAL facility collaboration has allowed me to work with state-of-the-art lasers.

A rotation in the UoR Chemistry Department led me to work in Prof. David McCamant's lab. Observing the science and expertise that comes out of applying ultrafast laser spectroscopy to discern the fundamental behavior of molecules, inspired me to pursue a Doctorate utilizing a laser spectroscopy technique. Details of pre-graduate training is on my LinkedIn profile.

My career interests are in:
  • Product Management and Development
  • Buisness Management and Development
  • Regulatory Affairs
  • Research and Development
  • Quality Control


    • Latest News
    • 8-2021: Graduated from University of Pittsburgh with a PhD. Thesis defense completed and accepted by committee (Aug 14).
    • 6-2021: Presenting poster in Time Resolved Vibrational Spectroscopy (TRVS) 2021 virtual conference (Jun 13 - 18).
    • 5-2021: EDTA research paper accepted in J.Phys.Chem.A and published.
    • 5-2021: Pedagogy project paper accepted in J.Chem.Ed and published.
    • 09-2020: Created and implemented workshops for the fall semester in the graduate polymer course and honors general chemistry fall course.
    • 07-2020: Presented two separate projects at the virtual National ACS conference (Poster and Oral Talk), San Francisco in Fall 2020.
    • 05-2020: Won 2020 ACS conference travel award (Pittsburgh chapter).

    Conferences

    Approach to teaching undergraduates how to evaluate primary literature and synthesize their conclusion critically

    This project educates students on critically analyzing complex data and evaluating results and conclusions presented in research articles critically alongside their course curriculum. Students go through:

    1. Five assignments via specifically tailored worksheets.
    2. Evaluating 1 research paper from each of 5 the Fall assignments.
    3. Formulating their conclusions from the research paper. They critique selective figures, data-tables, equation, and their connection to the results and conclusion the author claims.
    4. The pre and post student opinion surveys to give insights on their perceived gains.
    Analysis of the assignment scores and surveys determine the undergraduates' skill improvement in data analysis, result evaluation, critiquing the author's conclusion, and constructing a logical conclusion from the results.

    San Francisco, California, USA

    Sunayana Mitra*, Dr. Eugene Wagner, Sean Garrett-Roe

    ACS National Conference Fall 2020 (Oral: virtual due to pandemic)

    Mode mixing between the carboxylate symmetric stretch and CH bends cause the vibrational structures in EDTA, [Ca:EDTA]2-, [Mg:EDTA]2- spectrum.

    EDTA which chelates Ca2+ and Mg2+ metal ions, generates the unidentified features in the carboxylate symmetric stretch region. Mode mixing between the carboxylate symmetric stretch (COOs) and the CH bending is evidenced by:

  • Cross peak structures in two-dimensional infrared spectroscopy (2DIR) of EDTA, w/o Ca2+ or Mg2+ ions.
  • DFT calculations and newly designed analysis methods.
    • The binding geometry differences in [Ca:EDTA]2-, and [Mg:EDTA]2- cause the COOs–CH mode-mixing to differ, causing the new vibrational structures in the IR spectrum. New analysis methods in this research are pertinent to detecting binding differences between the two biologically relevant ions.

    Bryant University, Rhode Island, USA

    Sunayana Mitra*, Keith A. Werling, Eric Berquist, Daniel Lambrecht, Sean Garrett-Roe

    Physical Chemistry Seminar (Department of Chemistry Virtual Poster) (Feb 2021)
    Gordon Vibrational Spectroscopy Conference 2020 (Oral) (Conference cancelled due to pandemic.)
    ACS National Conference Fall 2020 (Poster) (Conference virtual due to pandemic.)

    A method to develop an undergraduate's ability to interpret & analyze primary research.

    This project aims to create curriculum materials and activities for the honors general chemistry courses designed to help students develop the ability to read and interpret primary literature. Students discuss among themselves and complete:

    1. Five assignments--> 1 secondary journal article + 4 pre-assigned primary journal articles. 20 research articles in total.
    2. Relating the original research articles to the secondary article.
    3. Identifying hypotheses, goals, main conclusions from the experiments, and future directions. Students are also required to provide a rationale for each answer.
    4. Two workshops, addressing student questions, and giving feedback.
    5. Pre and post student opinion surveys gauging their progress from the beginning to the end of the semester.
    The students learn to identify the hypothesis, the research objectives and type of research, the conclusions, and future direction. Analysis of assignment scores determines skill improvement over the two semesters.

    Philadelphia, Pensylvania, USA

    Sunayana Mitra*, Dr. Eugene Wagner

    ACS National Conference Spring 2020 (Oral, doi: "https://doi.org/10.1021/scimeetings.0c04577")

    Developing data interpretation skills of undergraduates by correlating honors general chemistry laboratory experiments to primary chemistry literature.

    Engaging undergraduates in the primary literature and enhancing data interpretation skills from journal article figures becomes easier if the research connects with their course laboratory experiments. The working hypothesis was to see a marked improvement in figure analysis and data interpretation skills of undergraduates after they read an article alongside conducting an analogous honors general chemistry laboratory. Undergraduates analyzed & completed:

    1. Two sets of scientific papers before the upcoming chemistry laboratory experiment every week.
    2. One journal article review before the experiment and another after completion of the lab.
    3. Pre and post assignment worksheet with questions on --> research purpose, figures, and research extrapolation.
    4. Post lab worksheet asked them to link the second article and the lab experiment.
    5. Beginning and end of semester surveys gauging the student progress.
    Analysis of pre and post-lab worksheets determined if students correlated the literature to the lab experiments by the end of the semester. The final research goal is to see if a student's familiarity with chemistry literature and performing a similar laboratory can make them develop their knowledge transfer skill to/from scientific literature.

    University of Notre Dame, South Bend, Indiana

    Sunayana Mitra*, Sean Garrett-Roe, Eugene Wagner

    BCCE, 2018. Teaching Transferable Skills in the Chemistry Laboratory Curriculum: Real Research, Real Training

    Kinetics of proton transfer in protic ionic liquids

    Ionic liquids (IL) are lucrative candidates in green fuel energy research due to their cation-anion structure and heterogeneity. We study and model:

  • ILs with an available proton, or protic ionic liquids (PILs).
  • The picosecond timescale kinetics of the proton in a PIL in collaboration with the Central Laser Facility in RAL UK.
  • Behavior of datasets collected using 2DIR and Time resolved transient pump-probe spectroscopy methods.
    • A better understanding of the proton motion in PILs will have implications in the design, modulation of future low-cost battery fluid, high capacity green solvent use.

    University of Pittsburgh, Pittsburgh, USA

    Sunayana Mitra*, Kai Gronborg, Clinton Johnson, Anthony W. Parker, Paul Donaldson, Sean Garrett-Roe

    Poster presentation
    In Women in STEM Conference, Pittsburgh, 2018

    Amino acid sensitizer aided triplet-triplet energy transfer reactions in nucleobases

    Sensitizer photochemistry with nucleobases is one of the active areas of research for treating carcinogenic responses in humans. Nucleobases undergo electronic excitation upon UV photoexcitation. We investigated:

    1. Triplet-triplet energy transfer (TTET) from tyrosine to a nucleobase after photoexcitation with 266 nm ultraviolet light.
    2. Nanosecond flash photolysis TTET reactions from the excited tyrosine to uracil, thymine, and cytosine --> producing nucleobase radical generation pathway intermediates.
    3. If UV radiation sensitizes the naturally occurring amino acid in skin, causing point mutations--> start an oxidative pathway, likely causing melanoma.

    Manipal University, Manipal, India

    Sunayana Mitra*, Rajkumar N, and Siva Umapathy

    NLS-22 2014 (Poster)

    Research

    Carboxylate Metal binding

    An active area of research that I am involved in is understanding the vibrational spectrum of metal bound carboxylates. Carboxylates are a vital component of biomolecules, especially proteins. Following the metal carboxylate interaction through vibrational spectroscopy can inform us about protein active sight structure and motions, which would be beneficial in drug design, delivery, and synthetic enzyme design.

    My collaborators and I have developed a method to analyze the complicated carboxylate vibrational spectra and extract metal-binding geometry information from 2DIR and linear spectra using -- DFT calculation, participation plot methods and energy decomposition analysis. (Manuscript ready for submission)

    University of Pittsburgh, Pittsburgh

    Tracking hydrogen bond network motions in ionic liquids & water

    My UK collaborative project objective is to investigate the hydrogen bond network restructuring in ionic liquids and water. Understanding the hydrogen bond network is crucial for the proper functioning of many biosystems, energy fuel development, designing alternative energy sources to counter climate-change. Many a vibrational probe (NH stretch, SCN stretch, and the OH stretch) can be used to gain insight into the hydrogen bond network.

    I am studying the subtle changes in the hydrogen bond network and the motion of a proton in a protic ionic liquid using 2DIR spectroscopy and transient absorption spectroscopy. The vibrational chromophores detect the changes in the immediate environment of probe at equilibrium and during a reaction. This research can help design new ionic liquid systems whose properties like viscosity, vapor pressure can be modulated.

    Information about molecular motions occurring at different timescales is what the 2DIR technique can extract. These motions are changes in structural motions and rotational motions. Studying hydrogen bond network rearrangement is the key to unraveling water's local network energy fluctuation effects. These fluctuations are responsible for macroscopic property changes such as viscosity, anomalous expansion in bulk water. Therefore, a clear understanding of this abundant molecule will assist in designing alternative systems with comparable properties.

    University of Pittsburgh, Pittsburgh

    Teaching pedagogy research

    I have designed a curriculum to teach undergraduates at the Pitt chemistry department to evaluate scientific research papers. The curriculum is integrated with the Honors General Chemistry course in the department. The design helps students to be prepared for future critical thinking exercises and jobs. The course transformation research conducted over the years 2018-2020 is being written up as a publication.

    University of Pittsburgh, Pittsburgh

    Ultrafast Laser Spectroscopy

    One exciting thing about working in a two-dimensional infrared spectroscopy (2DIR) lab is the opportunity to work with ultrafast laser systems. As I have progressed through graduate school, I have learned a lot about laser alignment, instrument design, and problem-solving laser science and associated electronics problems.

    I am always excited to work with lasers. Interestingly it always keeps challenging me in new ways. Experience from my collaboration with the CLF in the UK has helped me to build a better foundation on laser instruments.

    Expertise in:

    1. Aligning, maintaining--> Optical Parametric Amplifier, 2-dimensional spectrometer, HeNe laser .
    2. Operating--> 5 kHz amplifier, oscillator, chillers, MCT detectors, oscilloscope and associated complicated electronics.
    3. Redesigning parts of the OPA.
    4. Organizing--> OPA and the 2D Spectrometer workings and troubleshooting into a detailed SOP format.

    Computational chemistry & simulation

    During my Ph.D., I have had to test and use many computational chemistry tools. These experiences have given me a knowledge base in electronic structure theory and computational methods.

    Acquired skills:

    1. Matlab and Python programming --> data analysis & simulation.
    2. Operating bash and Linux interface to perform the calculations in the supercomputer cluster.
    3. Developed new simulation methodology--> applied SVD data analysis method.
    4. Computational Chemistry packages --> QChem, Gaussian09.

    Collaborations

    During my graduate study, I had the opportunity to travel to the Rutherford Appleton Laboratory Central Laser Facility UK to use their laser instruments. Along with my colleague Dr. Clinton Johnson, I collected data for 3 weeks in February 2017 and 2 weeks in August 2019. I helped Dr.Paul Donaldson in setting up the experiment and alignment adjustments.

    During the vast data collection days, I gained experience in transient laser spectroscopy techniques and polarization techniques during my visit. The trip allowed me to work with amazing scientists in the field.

    STFC, RAL, Didcot, UK

    To develop a method to gain insight into the structure spectra relation of vibrational chromophores, I have maintained an active collaboration with Dr. Daniel Lambrecht's group in Florida Gulf Coast University. I have mainly worked with Dr. Keith Werling and Dr. Eric Berquist, during my collaboration.

    I have also had the opportunity to use the computer supercluster through a Pittsburgh Quantum Institute (PQI) collaboration. The computational calculations were performed through PQI.

    University of Pittsburgh.

    Pedagogy

    Pitt UCTL

    My association with the university's teaching and learning center has helped me gain insight into teaching techniques, active learning methods, developing curriculum, syllabus, and teaching philosophy. I have completed their pedagogy training and earned a badge for the efforts. These workshops and seminars have helped me develop a creative way of teaching with maximal student engagement. I have also assisted in many a TA facilitation sessions organized by the UCTL to train incoming teaching assistants to the ways of teaching priorities at Pitt.

    University of Pittsburgh. Program Supervisor: Dr. Joel Brady

    Scientific Literature Evaluation

  • Instructed undergraduate laboratory--> general chemistry, honors general chemistry and physical chemistry courses since 2014.
  • Taught more than 180 undergraduates how to read and evaluate scientific literature.
  • Designed activity sheets and conducted an active learning curriculum for 3 years in the honors general chemistry course.
  • Nominated for the prestigious Elizabeth Barranger Award for Excellence in teaching by chemistry department.
  • Won the departmental Safford Graduate Student Teaching award for teaching research.

    • University of Pittsburgh. Course Instructor: Dr. Eugene Wagner

    CIRTL Certification

    Active member of the Pitt Center for the Integration of Research, Teaching, and Learning. My membership extends to the wider CIRTL network across the US. Completed the 3 tiers (Associate, Practitioner, Scholar) of the CIRTL organization. Presented my teaching as a research (TAR) project at the 25th Biennial Conference on Chemical Education in 2018 and refined the project to its current state. The TAR project has helped me to become a better teacher and understand how to reach each of my students effectively.

    University of Pittsburgh. Pitt Coordinator: Dr. April Dukes

    dB-SERC Teaching Grant

    Won a course transformation award from the Discipline-Based Science Education Research Center (dB-SERC) based in Pittsburgh. The organization supports teaching improvement endeavors, and my project on teaching students to evaluate scientific literature earned me the mentor-mentee grant in 2019.

    University of Pittsburgh. Organisational Head: Dr. Chandralekha Singh

    Volunteer

    Participant in the Phi Lambda Upsilon (PLU) K-12 Outreach program. The different activities include visiting schools to do experiment demonstrations and designing the 4-8th grade science experiments for the students.

    Hosted the incoming grad class of Pitt Chemistry department with my fellow graduate student hosts under the Chemistry department's aegis. Participated in undergraduate poster judging sessions organized by the department.

    Mentored graduate students in my lab and facilitated TA orientation as a UCTL member. Mentoring is a significant activity in the CIRTL network. Many contributions to the learning communities have strengthened my association with the CIRTL network throughout the years.

    Hobbies

    biking animals birds hiking watercolor dragon watercolor eagle watercolor flower watercolor ship
    Copyright © Sunayana Mitra 2021
    Last Updated: 2021.12.30