Richmond Home

Presentations

Chemistry faculty often take undergraduate students to present the results of their work at local, regional and national meetings.

Faculty/Student Presentations at Regional and National Meetings

(undergraduates are highlighted with an *)

2019

Carol Parish, “Molecular Studies of Halogen Bonding, Protein Dynamics and Combustion” Southeastern Regional Meeting of the American Chemical Society (SERMACS), Savannah, GA, October 2019 (invited talk)

Carol Parish, “HIV Flap Dynamics” Department of Chemistry, Indiana University-Purdue University @Indianapolis, Indianapolis, IN, September 2019 (invited talk)

Carol Parish, “Multiconfigurational Tetraradicals” Department of Chemistry, Chemical Theory Center, University of Minnesota, Minneapolis, MN, September 2019 (invited talk)

Carol Parish, “Minding the Gap: Quantum Studies of Aromatic Diradicals”, Symposium in Honor of Fritz Schaefer, American Chemical Society National Meeting, San Diego, CA August 2019 (contributed talk)

Carol Parish, “Building a Career as a Teacher-Scholar at a Predominately Undergraduate Institution (PUI)”, Mentor Talk, Women Make Comp Special Symposium, American Chemical Society National Meeting, San Diego, CA August 2019 (invited talk)

Carol Parish, “It’s the Right Chemistry! Research with Undergraduates in the Parish Laboratory” Award Address, Symposium in Honor of Research with Undergraduates, American Chemical Society National Meeting, Orlando, FL, March 2019 (invited talk)

Mikaela R. Rosen, Janelle B. Leuthaeuser, Carol A. Parish, Jacquelyn S. Fetrow, Functionally Relevant Clustering of the Arsenate Reductase (ArsC) Superfamily, 2019 Protein Society meeting, Seattle, WA, June 2019 (poster)

Justin Airas, Erica Modeste, Yasmin Ali, Omar Quintero and Carol Parish, Computational Investigation of Myosin 19 Structure-Function, 2019 National American Chemical Society meeting, Orlando, Fl, March 2019 (Poster)

Alexis Blake and Carol Parish, The Binding Interactions Between Human Pepsin and RT Inhibitors: A MD Approach, 2019 National American Chemical Society meeting, Orlando, Fl, March 2019 (Poster)

Christine Ancajas and Carol Parish, Highly Correlated Multireference Study of the Tetralin Diradical, 2019 National American Chemical Society meeting, Orlando, Fl, March 2019 (Poster)

Hunter Evans, Justin Airas, Quincy McCoy, Cooper A. Taylor, Kristen J. Rubenstein, Julie Pollock and Carol Parish, Molecular Dynamics of MEMO1: Apo Dynamics, Peptide Complex Dynamics and Small Ligand Binding Analysis, 2019 National American Chemical Society meeting, Orlando, Fl, March 2019 (Poster)

A Study of the Binding Interactions Between Human Pepsin and HIV-1 Protease Inhibitor, 2019 National American Chemical Society meeting, Orlando, Fl, March 2019 (Poster)

Michael Kitimet, Arjun Jaini, Kevin John Ulep, Lillian Hughes, Michael Leopold and Carol Parish, Halogen Bonding as a Mechanism for Aromatic and Non-Aromatic Explosive Detection, 2019 National American Chemical Society meeting, Orlando, Fl, March 2019 (Poster)

Mikaela Rosen, Janelle B. Leuthheuser, Cooper A. Taylor, Jacquelyn Fetrow and Carol Parish, Functionally Relevant Clustering of Arsenate Reductase (ArsC) Superfamily, 2019 National American Chemical Society meeting, Orlando, Fl, March 2019 (Poster)

Yesireth Solis, Justin Airas and Carol Parish, Evaluating the Binding of a Novel POSS-Based HIV Protease Inhibitor Drug, 2019 National American Chemical Society meeting, Orlando, Fl, March 2019 (Poster)

Elise Tate, Soleil Shah, Cooper A. Taylor and Carol Parish, Characterizing the Folding of the Amyloid Precursor Protein-C42, 2019 National American Chemical Society meeting, Orlando, Fl, March 2019 (Poster)

Kevin John Ulep and Carol Parish, Quantum Mechanics Study of Polyaromatic Diradical Formation through Domino Cyclization, 2019 National American Chemical Society meeting, Orlando, Fl, March 2019 (Poster)

Salmika G. Wairegi, Adam Luxon and Carol Parish, Spin Flip Characterization of the Bergman Cyclization of the Hepta-1,6-Diyne System, 2019 National American Chemical Society meeting, Orlando, Fl, March 2019 (Poster)

Kelling J. Donald, American Chemical Society Meeting (Spring) Orlando, Fl, ACS Award Symposium Honoring Carol Parish. (Invited) April 2, 2019. Title: “Potential Roles for Sigma Hole Interactions in M-H Bond Activation and Elsewhere”.

Ulrick Gaillard, * and Kelling J. Donald. “Structural Preferences of Group 2 Dihalide Clusters (cases of Ba and Sr)” MERCURY Conference, Bucknell Univ. SC, July. 17-19, 2019

Supreeth Prasad* and Kelling J. Donald. “Hop-Skip-Jump: Fluxional Behavior in Phenalenyl Half-Sandwich Complexes” MERCURY Conference, Bucknell Univ. SC, July. 17-19, 2019

Gabriel Stewart, * and Kelling J. Donald. “Investigations into the Nature of Bonding Group 5 OxyHalides: Sigma-Hole Interactions or Charge Transfer?” MERCURY Conference, Bucknell Univ. SC, July. 17-19, 2019

Katie Wilson, * and Kelling J. Donald. “Solvent Effects and Halogen Bonding: The Case of the I---N Interaction” MERCURY Conference, Bucknell Univ. SC, July. 17-19, 2019 

2018

Kelling J. Donald, International Symposium on Halogen Bonding (ISXB); Greenville, SC, (Invited). June 10 – 14, 2018. Title: “Halogen Bonding as a Tool: Quantifying Electronic Influences in Organic and Organometallic Chemistry”.

Rebeka Oklopcic, * Minghui Cai, and Kelling J. Donald. “Influence of the Chemical Environment on Halogen Bonding.” South Eastern Regional Meeting of the American Chemical Society, Augusta, GA, Nov. 2018.

Gabriel Stewart,* and Kelling J. Donald. [Student Oral Presentation] “Investigation into the Nature of Bonding in Groups 5 Metal Oxyhalides: Sigma Hole Interactions and Charge Transfer.” South Eastern Regional Meeting of the American Chemical Society, Augusta, GA, Nov. 2018.

Supreeth Prasad,* and Kelling J. Donald. [Student Oral Presentation] “Bending Ternary Dihalides: A Functional Form Linking Bond Angles and Linearization Energies” South Eastern Regional Meeting of the American Chemical Society, Augusta, GA, Nov. 2018.  

Noah Walker* and Kelling J. Donald. [Student Oral Presentation] “Phenalenyl Half-Sandwich Complexes: Diversity and Fluxionality” South Eastern Regional Meeting of the American Chemical Society, Augusta, GA, Nov. 2018. 

2017

John Gupton, Alex Shimozono*, Evan Crawford*, Matt Mahoney*, Evan Clark*, Joe Ortolani* and Veronica Moore-Stoll*, “Further Studies on the Application of Vinylogous Amides and Chloroenals to the Regiospecific Synthesis of Highly Functionalized Pyrroles”. Southeast Regional Meeting of the American Chemical Society, Charlotte, NC, November 8-11, 2017.

John Gupton, Evan Crawford*, Alex Shimozono*, Kristen Elofson*, Wen Juekun*, Annie Lane*, Micah Newton* and Veronica Moore-Stoll*, “Further Studies on the Application of Vinylogous Amino Nitriles to the Regiospecific Synthesis of Highly Functionalized Pyrroles”. Southeast Regional Meeting of the American Chemical Society, Charlotte, NC, November 8-11, 2017.

John Gupton, Evan Crawford*, Matt Mahoney*, Evan Clark*, Kristen Elofson*, Annie Lane*, Micah Newton* and Veronica Moore-Stoll*, “Application of Vinylogous Carbamates to an Efficient, Two-step Synthesis of 3-Arylquinolones”. Southeast Regional Meeting of the American Chemical Society, Charlotte, NC, November 8-11, 2017.

Ahmed, Obaidullah, Cristina Rohena, Jim Sikorski, Susan Mooberry, John Gupton and Glen Kellogg, “Pyrrole-Based Antitubulin Agents at the Colchicine Site: SAR of C-5 Analogs in Explicitly Solvated Models”, National Meeting of the American Chemical Society, San Francisco, CA, April 2-6, 2017.

N. Kosciuszek,* C. Brady,* L. Sheard,* M.C. Leopold, and A. Harper-Leatherman, “Aerogel Films on Indium Tix Oxide for Electrochemical Glucose Biosensing,” 253rd National Meeting of the American Chemical Society, San Francisco, April 2-6, 2017.

Kelling J. Donald, Southeastern Regional Meeting of the American Chemical Society (SERMACS) - Charlotte, NC, (Invited) Symposium: Contemporary Computational Chemistry, Nov. 7-11, 2017. Title: On Weak Interactions: Two Tales from Different Places in the Periodic Table. 

Kelling J. Donald, Virginia Section Meeting, Virginia Commonwealth University, Richmond, VA (Invited) Sept. 15, 2017. Title: Hard Act: Structure Predictions for Extended Solids from their Basic Chemical Units. 

Kelling J. Donald, ACS National Meeting, Washington, D.C. Symposium honoring Roald Hoffmann (Invited) Aug. 20, 2017. Title: Sigma-Hole Supported Interactions across the Periodic Table 

Kelling J. Donald, Telluride Meeting: Accelerating Reaction Discovery, Telluride, CO. (Invited) Aug. 8, 2017. Title: Chemical Bonding Phenomena and Certain Applications.

Minghui Cai* and Kelling Donald. “Influence of Chemical Environment on Halogen Bonding” MERCURY Conference, Bucknell Univ. SC, July. 21-23, 2017

Supreeth Prasad,* and Kelling J. Donald. “Coordination vs. Insertion: Competitive Channels for the Bonding of Monovalent Boron” MERCURY Conference, Bucknell Univ. SC, July. 21-23, 2017

Ziad Shafi* and Kelling J. Donald. “Group 12 Metal Halide Clusters: A Search for the Cause and Location of a Structural Transition in Mercury Difluoride” MERCURY Conference, Bucknell Univ. SC, July. 21-23, 2017

Robert Sjovold* and Kelling Donald (RS presented separately from NW) “Fluxional Behavior in Transition Metal Half-Sandwich Complexes with the Phenalenyl Radical: A case study with MXn” MERCURY Conference, Bucknell Univ. SC, July. 21-23, 2017

Noah Walker* and Kelling Donald (NW presented separately from RS) “Fluxional Behavior in Transition Metal Half-Sandwich Complexes with the Phenalenyl Radical: A case study with MXn” MERCURY Conference, Bucknell Univ. SC, July. 21-23, 2017

Gabriel Stewart,* and Kelling J. Donald. “The Nature of Bonding of Group 5 Oxyhalides: Sigma-hole Interactions and Charge Transfer” MERCURY Conference, Bucknell Univ. SC, July. 21-23, 2017

Minghui Cai* and Kelling Donald. “Influence of Chemical Environment on Halogen Bonding” South Eastern Regional Meeting of the American Chemical Society, Charlotte, NC, Oct. 2017.

Samuel Gillespie (PB)* and Kelling Donald. “Sigma-hole supported acid-base interactions to polarized central atoms: Bonding preferences and basis set dependence” South Eastern Regional Meeting of the American Chemical Society, Charlotte, NC, Oct. 2017.

Robert Sjovold,* Noah Walker,* and Kelling Donald. “Fluxional Behavior in Transition Metal Half-Sandwich Complexes with the Phenalenyl Radical: A case study with MXn” South Eastern Regional Meeting of the American Chemical Society, Charlotte, NC, Oct. 2017.

Gabriel Stewart,* and Kelling J. Donald. “The Nature of Bonding of Group 5 Oxyhalides: Sigma-hole Interactions and Charge Transfer” South Eastern Regional Meeting of the American Chemical Society, Charlotte, NC, Oct. 2017.

Supreeth Prasad,* and Kelling J. Donald. [Student Oral Presentation] “Coordination vs. Insertion: Competitive Channels for the Bonding of Monovalent Boron” South Eastern Regional Meeting of the American Chemical Society, Charlotte, NC, Oct. 2017.

[Student Oral Presentation] “Group 12 Metal Halide Clusters: A Search for the Cause and Location of a Structural Transition in Mercury DifluorideZiad Shafi* and Kelling J. Donald. South Eastern Regional Meeting of the American Chemical Society, Charlotte, NC, Oct. 2017.

2016

Kelling J. Donald, Southeastern Regional Meeting of the American Chemical Society (SERMACS) - Colombia, SC, Oct. 24, 2016. Title: Electrostatics, Relativistic Effects, and the Bonding in Group 12 Dihalide Clusters. 

Ezana Befekadu* and Kelling J. Donald. “The Influence of Organic Substituents on the Stability of Dative Bonding” MERCURY Conference Bucknell Univ. PA, July 21-23, 2016

Minghui Cai* and Kelling Donald. “Halogen Bonding in Organic and Inorganic Systems – The Halohydrides of Group 14” MERCURY Conference Bucknell Univ. PA, July 21-23, 2016

Supreeth Prasad,* and Kelling J. Donald. “Structure and Bonding in Mixed Group 2 Dihalides: An Assessment of the Hard Bends Soft Criterion for Bending” MERCURY Conference Bucknell Univ. PA, July 21-23, 2016

Ziad Shafi* and Kelling J. Donald. “Group 12 Metal Halide Clusters: A Search for the Cause and Location of a Structural Transition in Mercury Difluoride” MERCURY Conference Bucknell Univ. PA, July 21-23, 2016

Noah Walker* and Kelling Donald. “Fluxional Behavior in Transition Metal Half-Sandwich Complexes with the Phenalenyl Radical: A case study with MXn” MERCURY Conference Bucknell Univ. PA, July 21-23, 2016

Pranav Ravichandran* and Kelling J. Donald. “Quantifying the Electron Withdrawing Power of Substituents” MERCURY Conference Bucknell Univ. PA, July 21-23, 2016

Sohan Jaini,* and Shaquille Christmas,* Kelling J. Donald. “The sensitivity of halogen bonds to the bonding environment.” South Eastern Regional Meeting of the American Chemical Society, Columbia, SC, Oct. 2016.

Pranav Ravichandran* and Kelling J. Donald. “Weak interactions as diagnostic tools for inductive effects in organic compounds: Influence of benzene substituents on halogen bonds.” South Eastern Regional Meeting of the American Chemical Society, Columbia, SC, Oct. 2016.

Ziad Shafi* and Kelling J. Donald. [Student Oral Presentation] “Group 12 metal halide clusters: A search for the cause and location of a structural transition in mercury (II) fluoride.” South Eastern Regional Meeting of the American Chemical Society, Columbia, SC, Oct. 2016. 

2015

Jonathan D Dattelbaum "Adapting hyperthermophilic proteins into switch-based biosensors", Virginia Academy of Sciences Annual Meeting, James Madison University, Harrisonburg, VA, May 22, 2015. (Talk)

Raymond N. Dominey, Emma W. Goldman, Leon Lin, Kristie Yu, "Synthesis of Alkoxy-pyridine Derivatives for Catalytic Activity Testing and pKa Characterization", 2015 AFOSR MURI Annual Review Meeting on CO2 Reduction, University of California San Diego, San Diego, CA; January 20, 2015. (Poster)

Kelling J. Donald, "Electrostatics and Relativistic Effects and the Ionic Switch in Mercury Halides", Centre for Theor. Chem. and Phys., Massey Univ., Albany, New Zealand, April 28, 2015. (Invited talk)

Kelling J. Donald, "The Ionic Switch - Chemical Bonding and Relativistic Effects in Metal Dihalides", Dept. of Chemistry, Victoria University in Wellington, Wellington, New Zealand, . March 30, 2015. (Invited talk)

Kelling J. Donald, "Structure, Bonding, and Relativistic Effects in Binary Metal Dihalides", Dept. of Chemistry, University Of Otago, Dunedin, New Zealand, March 12, 2015. (Invited talk)

Kelling J. Donald, "Halogen Bonding in Inorganic Chemistry", Centre for Theor. Chem. and Phys, Massey University, Albany, New Zealand, Feb 16, 2015. (Invited talk)

J. Gupton and G. Kellogg, "Discovery of Novel and Potent Pyrrole-Based Colchicine Site Inhibitors", Virginia Commonwealth University Drug Discovery and Development Summit, Richmond, VA.; Feb. 4, 2015.

J. Gupton, "The Application of Vinylogous Iminium Salt Derivatives to the Synthesis of Bioactive Pyrrole Containing Marine Natural Products", Dept. of Chemistry, College of William and Mary, Williamsburg, VA, April 17, 2015. (Invited talk)

Joe Capalbo* and Michelle Hamm, "Examinations of the Incorporation of 8-Oxo-2’-deoxyguanosine with the Polymerases Klenow Fragment and Polymerase Beta.", UR A&S Undergraduate Research Symposium, April 17, 2015.

Rachel Gilbert,* Manavi Johri,* and Michelle Hamm, :Importance of Ile716 to the mutagenic potential of 8-oxo-2'-deoxyguanosine with polymerase I from Bacillus Stearothermophilus", UR A&S Undergraduate Research Symposium, April 17, 2015.

Andrew Miller and M.C. Leopold, "Antibacterial Efficacy of Nanofilms on High Traffic Surfaces", Virginia Junior Academy of Science, James Madison University, May 21st, 2015. (Talk)

M.C. Leopold, "Bioanalytical Sensors for the Future: Templates for Clinical Applications", The Virginia Forum’s 2015 Virginia Venture Summit, Capital One, Richmond, Virginia, April 2, 2015. (Talk)

Alexandra Badiceanu, Alyson Garst, Kristine Nolin, "Thiol Additions to Epoxides Catalyzed by a Rhenium(V)-Oxo Complex", A&S Symposium, University of Richmond, VA; April 2015. (Poster)

Katherine Cook, Erica Elias, Kristine Nolin, "Calcium Catalyzed Cycloadditions of Nitrones and Benzylidene Malonates", A&S Symposium, University of Richmond, VA, April 2015.

Layla Samandi,* Kristine Nolin, "Calcium-Catalyzed Cycloadditions of Nitrones to Vinyl Ethers", A&S Symposium, University of Richmond, VA; April 2015. (Poster)

Elizabeth Cogdon,* Caroline Braun,* Kristine Nolin, "Calcium-Catalyzed 1,3-Dipolar Cycloadditions of Nitrones to Electron-Deficient Cyclopropanes", A&S Symposium, University of Richmond, VA; April 2015. (poster)

M.C. Leopold, "Nanoparticle Networks and Xerogel Layering in Amperometric Biosensing Strategies - Adaptable Templates for Clinically Relevant Measurements", Annual Spring Undergraduate Research Symposium, James Madison University, Harrisonburg, Virginia, March 27, 2015. (Keynote address)

JP Wheeler,* P. Banwait,* I. Rohrer,* G. Hamilton,* K. Shaw, M.C. Leopold, and M.L. Trawick, "A Method of Correcting Out-of-Plane, Fast Time Scale Positional Drift in Atomic Force Microscopy", American Physics Society Meeting, San Antonio, Texas, March 2, 2015. (talk)

L. DiPasquale,* N. Poulos, J. Hall,* T. Bui,* A. Minocha,* and M.C. Leopold, "Structure-function Relationships Affecting the Sensing Mechanism of Monolayer-Protected Cluster Doped Xerogel Amperometric Glucose Biosensors", Annual Arts and Sciences Undergraduate Research Symposium, University of Richmond, April 17, 2015. (Poster)

Carol Parish, "Highly Correlated Multireference Studies of Heteroaromatic Diradicals", American Chemical Society meeting, Boston, MA, August, 2015. (Invited talk)

Carol Parish, "From Diradicals and Polyradicals to Functionalized Materials", American Chemical Society meeting, Boston, MA, August, 2015. (Invited talk)

Carol Parish, "Biomolecular Dynamics and Heteroaromatic Diradicals", American Chemical Society meeting, Denver, CO, March, 2015. (Invited talk)

A. Hill, K. Hoke, C. Parish, L. Runyen-Janecky, "University of Richmond Integrated Science Experience (URISE): A Comprehensive Model for Inclusion and Persistence", HHMI Constellation Studio for Science Education: Adapting Promising Practices and Promoting Institutuional Change. June 2015 (Chevy Chase, MD).

Biswa Meher, Tyler Steele and Carol Parish , "Exploring the selectivity of neurosteroids PS and PregaS on the ATD of the iGluR-NR2B subunit: A Docking and Molecular Dynamics Approach", 2nd International Conference on Frontiers in Biological Sciences (InCoFIBS-2015), Rourkela, Odisha, India. (Poster)

Boyi Zhang and Carol Parish, "Detailed Quantum Studies on the [3+2] Cycloaddition Reaction Mechanism", Department of Chemistry, University of Georgia, Athens, GA, December 2015. (Invited talk)

Bill Miller III, Carol Parish, Eugene Wu,"Molecular Dynamics Study of the Opening and Closing Mechanisms for DNA Polymerase I", National ASBMB Meeting 2015, Boston, MA, March 2015. (Poster)

David Stevens, Bill R. Miller III, Rebecca Stansbury, Gregory Springsted, Connor Phelan and Carol A. Parish, "Molecular Dynamics Analysis of HIV-1 Protease", 2015 National ASMB,  Boston, MA, March 2015. (Poster)

Angus Beane, Arjun Jaini, Bill Miller III, and Carol Parish, "Internal Abstraction of Dynemicin A: A QM/MM Approach", 2015 Annual American Society for Biochemistry and Molecular Biology,  Boston, MA, March 2015. (poster)

Cooper A. Taylor, Soleil Shah, Bill R. Miller III, and Carol A. Parish, "Investigating Motor Proteins Involved in Neurodegenerative Diseases: Interactions between KLC-1, JIP-1, and APP", National ASBMB Meeting 2015, Boston, MA, March 2015. (Poster)

Iakovos Anastasakis, Yasmin Ali, Bill Miller III, and Carol Parish, "Drug-Design Investigations of both Traditional FDA Drugs and POSS to Serve as an Effective HIV Protease Inhibitor", American Society of Biology and Molecular Biology, Boston Convention Center, Boston, MA., 2015. (Poster)

Arjun Jaini and Carol Parish, "A Quantum Mechanical Study of Tautomeric Triggers of Bergman Cyclization", 2015 ASBMB Meeting,  Boston, MA, March 2015. (Poster)

Quincy McKoy, Angus Beane, Bill R. Miller III, Carol Parish, "Binding Dynamics of Enediyne Natural Products", 2015 National American Society for Biochemistry and Molecular Biology Meeting, Boston, MA, March 2015. (Poster)

Soleil Shah, Cooper Taylor, Bill Miller III, Carol Parish, "Computational Analysis of the Interactions between KLC-1 and APP", National American Society for Biochemistry and Molecular Biology Meeting, Boston, MA, March 2015. (Poster)

Erica Modeste, Lily Mawby, Bill Miller III, Eugene Wu, and Carol Parish, "An Investigation of the Thermostability of DNA Polymerase Using Molecular Dynamics Simulations", ASBMB 2015,  Boston, MA, March 2015. (Poster)

Kelling J. Donald, Southeastern Regional Meeting of the American Chemical Society (SERMACS) - Memphis, TN, Nov. 4, 2015. Title: Electrostatics, Relativistic Effects, and the Bonding in Group 12 Dihalide Clusters.