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 *)
2021
A Highly Correlated, Multireference Study of Aromatic Tetraradicals. 262nd National Meeting of the American Chemical Society, Dominic A. Sirianni and Carol A. Parish, Atlanta, GA, August 2021 (Oral)
Investigating Novel Thiazolyl-Indazole Derivatives as Scaffolds for SARS-CoV-2 MPro Inhibitors, 2021 Molecular Education and Research Consortium in Undergraduate Computational Chemistry (MERCURY), Justin Airas, Catherine A. Bayas, Abellah N'Ait Ousidi, My Youssef Ait Itto, Aziz Auhmani, Mohamed Loubidi, M'hamed Esseffar, Julie A. Pollock, and Carol A. Parish, Virtual, July 2021 (Poster)
A Comparison of the Bergman Cyclization of 6-, 10-, 14- , and 18-membered Enediynes, 2021 Molecular Education and Research Consortium in Undergraduate Computational Chemistry (MERCURY), Christine Ancajas and Carol Parish, Virtual Conference, July 2021 (Poster).
Investigating the Binding Affinity of Novel Thiazolyl-Indazoles to SARS-CoV-2 MPro, Theoretical Physical Organic Chemistry (TPOC) Meeting, Justin Airas and Carol A. Parish, Virtual, April 2021 (Talk)
Computational Prediction of Lipophilicity: Quantum Chemistry and Machine Learning Approach, Neda Ojaghlou and Carol A. Parish, 2021 spring national American Chemical Society meeting, virtual (talk).
Variations on the Bergman Cyclization Theme: Electrocyclizations of Penta-, Hepta-, and Octadiynes, Dominic Sirianni and Carol A. Parish, 261st National Meeting of the American Chemical Society, Dominic A. Sirianni and Carol A. Parish, March 2021 (Oral)
In-Silico Investigation of the Binding Affinity of Novel Thiazolyl-Indazole Derivatives to SARS-Cov-2 MPro, Justin Airas and Carol A. Parish, 2021 spring national American Chemical Society meeting, virtual (talk).
DFT study of the Bergman Cyclization of Several Enediynes, Christine Ancajas and Carol A. Parish, 2021 spring national American Chemical Society meeting, virtual (poster).
Julie A. Pollock Development of small molecule modulators of protein function. NR-IMPACT Virtual Meeting. January 8, 2021.
2020
“Deploying Classical and Quantum Physics to Solve Molecular Problems in Chemistry and Biology” Department of Chemistry, Bowdoin College, virtual, November 2020 invited departmental lecture
Computational prediction of molecular lipophilicity: A quantum chemistry and machine learning approach, Neda Ojaghlou and Carol Parish, 2020 Molecular Foundry User Meeting, https://usermeeting2020.foundry.lbl.gov/
Markov State model of the Functionally Active JIP1 Fragment, Virtual Conference on Theoretical Chemistry (VCTC), Neda Ojaghlou, Justin Airas, Lauren McRae, Cooper Taylor, and Carol Parish, Virtual Conference, July 2020 (Talk)
“Predicting Multiphasic Chemical Properties with Machine Learning,” 2020 AIChE Conference on Engineering Cosmetics and Consumer Products, Adam Luxon, Quang Le, Carol Parish, James K. Ferri and Tyler McQuade (talk)
2019
Miles W. Johnson, Development of Modular Bis(Phosphino) Pyrrole Ligands for Late Metal-Catalyzed Cross-Coupling. Southeastern Regional Meeting of the American Chemical Society, Savannah, GA, October 22, 2019. (talk)
Miles W. Johnson, Synthetic and Mechanistic Studies of Aminophosphine Ligands for Transition Metal-Catalyzed Cross-Coupling. Bowdoin College, Bowdoin, ME, September 27, 2019. (invited talk)
Miles W. Johnson, Synthetic and Mechanistic Studies of Aminophosphine Ligands for Transition Metal-Catalyzed Cross-Coupling. High Point University, High Point, NC, September 13, 2019. (invited talk)
Miles W. Johnson, Synthetic and Mechanistic Studies of Aminophosphine Ligands for Transition Metal-Catalyzed Cross-Coupling. University of North Carolina, Greensboro, NC, April 12, 2019. (invited talk)
Miles W. Johnson, Synthesis and Reactivity of Transition Metal and Main Group Proazaphosphatrane Complexes. ACS National Meeting, Orlando, FL, April 1, 2019. Symposium for “Undergraduate Research at the Frontiers of Inorganic Chemistry” (invited talk)
Fokwa, H. D.;* Johnson, M. W. Synthesis, Characterization, and Reactivity of Bis(Phosphino) Pyrrole Ligands and Their Complexes. Southeastern Regional Meeting of the American Chemical Society, Savannah, GA, November 22, 2019. (talk)
Matthews, A. D.;* Johnson, M. W. Synthesis, Characterization, and Reactivity of Palladium Proazaphosphatrane Complexes. Southeastern Regional Meeting of the American Chemical Society, Savannah, GA, November 22, 2019. (talk)
Thomas, J. I.;* Johnson, M. W. Synthesis and Characterization of Copper Proazaphosphatrane Halide and Silylamide Complexes. Southeastern Regional Meeting of the American Chemical Society, Savannah, GA, November 20, 2019. (poster)
Shen, S.;* Johnson, M. W. Synthesis of Boronate Ester Derivatives of Triphenylphosphine. Southeastern Regional Meeting of the American Chemical Society, Savannah, GA, November 20, 2019. (poster)
Sriramaneni, N.K.;* Johnson, M. W. Synthesis of Pincer Ligands and Their Respective Complexes. Southeastern Regional Meeting of the American Chemical Society, Savannah, GA, November 20, 2019. (poster)
Vidlak, J. F.;* Johnson, M. W. Synthesis of Bidentate Bis(phosphino) Pyrrole Ligands and Their Complexes for Nickel Catalysis. Southeastern Regional Meeting of the American Chemical Society, Savannah, GA, November 20, 2019. (poster)
Matthews, A. D.;* Fokwa, H. D.;* Weinberg, S. C.;* Vidlak, J. F.;* Duplessis, I. D.;* Sriramaneni, N. K.;* Prasad, S.;* Donald, K. J.; Schley, N. S.; Johnson, M. W. Design and Synthesis of Modular Aminophosphine Ligands for Cross-Coupling. Gordon Research Conference for Organometallic Chemistry, Newport, RI, July 2019. (poster)
Fokwa, H. D.;* Weinberg, S. C.;* Johnson, M. W. Synthesis of N-Phosphino-2-(Phosphino)Pyrrole Ligands for Catalysis. ACS National Meeting, Orlando, FL, April 3, 2019. (poster)
Julie A. Pollock Hydrogen peroxide activated estrogen receptor beta ligands. 71st Southeastern Regional Meeting of the American Chemical Society. Savannah, GA. October 22, 2019. (invited)
Julie A. Pollock Empowering undergraduate students through chemical biology research. 71st Southeastern Regional Meeting of the American Chemical Society. Savannah, GA. October 21, 2019. (invited)
Julie A. Pollock Modulation of MEMO1: Virtual screening, biochemical validation, and inhibition of cancer cell migration. 257th American Chemical Society National Meeting. Orlando, FL. April 2, 2019. (invited)
Peace Nyeche*; Charlotte Moynihan*; Catherine Bayas*; Kristine Nolin; Julie Pollock Encapsulation of small molecules in the virus-like particle Qβ. 71st Southeastern Regional Meeting of the American Chemical Society. Savannah, GA. October 20, 2019.
Joseph McEachon*; Hyejin Park*; Julie Pollock Pro-ligands of estrogen receptor beta and implications in neurodegenerative diseases. 71st Southeastern Regional Meeting of the American Chemical Society. Savannah, GA. October 20, 2019.
Cassidy Hilton*; Lucy Zhou*; Courtney Labrecque*; Kristen Rubenstein*; Hunter Evans*; Cooper Taylor*; Carol Parish; Julie Pollock Small molecule inhibitors of MEMO1: biochemical and biological evaluation. 71st Southeastern Regional Meeting of the American Chemical Society. Savannah, GA. October 20, 2019.
Makayla Callender*; Najwa Labban*; Meghan Blackledge; Julie Pollock Expression, purification, and characterization of the Staphylococcus aureus PASTA kinase Stk1. 71st Southeastern Regional Meeting of the American Chemical Society. Savannah, GA. October 20, 2019.
Catherine Bayas*; Charlotte Moynihan*; Peace Nyeche*; Ritwika Bose*; Shannon Laughlin*; Suraj Bala*; Kristine Nolin; Julie Pollock Expression and characterization of mutant virus-like particles. 71st Southeastern Regional Meeting of the American Chemical Society. Savannah, GA. October 20, 2019.
Najwa Labban*; Lillian Hughes*; Mulugeta Wayu; Julie Pollock; Michael Leopold Adaptable xerogel-layered amperometric biosensor platforms on wire electrodes for clinically relevant measurements. 257th National Meeting of the American Chemical Society, Orlando, FL, March 31, 2019.
Najwa Labban*; Lillian Hughes*; Grace Conway*; Mulugeta Wayu; Julie Pollock; Michael Leopold Adaptable amperometric biosensor platforms for the diagnosis of endocrine disorders including sepsis. Endocrine Society Annual Meeting, New Orleans, LA, March 25, 2019.
Evaluating the Binding of a Novel Carbon POSS-Based HIV Protease Inhibitor Drug, 71st Southeastern Regional Meeting of the American Chemical Society (SERMACS), Yesireth Solis and Carol Parish, October 2019 (poster).
A New Pathway for CO2 Reduction: Amine-CO2 Activation Followed by Traditional Hydride Reduction, 71st Southeastern Regional Meeting of the American Chemical Society (SERMACS), Zhesi Yang, Michael Norris and Carol Parish, October 2019 (poster).
Quantum Mechanics Study of QSAR in Synthetic Cathinones, 71st Southeastern Regional Meeting of the American Chemical Society (SERMACS), Jacob Airas and Carol Parish, October 2019 (poster).
DFT Study of the Bergman Cyclization of Several Enediynes, 71st Southeastern Regional Meeting of the American Chemical Society (SERMACS), Christine Ancajas and Carol Parish, October 2019 (poster).
Investigating the In Silico Binding Energetics of Novel Aromatic-Substituted POSS and “POCS” HIV-1 Protease Inhibitors, 71st Southeastern Regional Meeting of the American Chemical Society (SERMACS), Elsa Katarina Acosta, Justin Airas and Carol Parish, October 2019 (poster).
Spin-Flip Characterization of the Bergman Cyclization of the Hepta-1,6-Diyne System, 71st Southeastern Regional Meeting of the American Chemical Society (SERMACS), Salmika Wairegi and Carol Parish, October 2019 (poster).
Computational Investigation of the Importance of Tryptophan to the MYO19 ATPase Cycle, 71st Southeastern Regional Meeting of the American Chemical Society (SERMACS), Justin Airas, Erica Modeste, Yasmin Ali, Omar Quintero and Carol Parish, October 2019 (poster).
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
Miles W. Johnson, Synthesis, Structure and Reactivity of Palladium Proazaphosphatrane Complexes: Insight into a Conformationally Flexible Ligand. Southeastern Regional Meeting of the American Chemical Society, Augusta, GA, November 1, 2018. (talk)
Miles W. Johnson, Synthesis and Reactivity of Proazaphosphatrane-Supported Palladium Complexes: Elusive Intermediates in Cross-Coupling. ACS National Meeting, Boston, MA, August 20, 2018. (talk)
Duplessis, I. D.;* Shen, S.;* Schley, N. D.; Johnson, M. W. Study of Proazaphosphatrane Ligands and Their Analogues in Cross-Coupling. Southeastern Regional Meeting of the American Chemical Society, Augusta, GA, November 2018. (poster)
Matthews, A. D.;* Schley, N. D.; Johnson, M. W. Synthesis and Reactivity of Palladium Proazaphosphatrane Complexes Invoked in Cross-Coupling. Southeastern Regional Meeting of the American Chemical Society, Augusta, GA, November 2018. (poster)
Matthews, A. D.;* Duplessis, I. D.;* Kotera, K.; Gravalis, G. M.;* Schley, N. D.; Johnson, M. W.* Synthesis and Reactivity of Transition Metal Proazaphosphatrane Complexes. Gordon Research Conference for Organometallic Chemistry, Newport, RI, July 2018. (poster)
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
Johnson, M. W.;* Duplessis, I. D.;* Gravalis, G. M.;* Kotera, K.* Synthesis and Reactivity of Low-Coordinate, Proazaphosphatrane-Supported Transition Metal Complexes. Southeastern Regional Meeting of the American Chemical Society, Charlotte, NC, November 10, 2017. (poster)
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 Difluoride” Ziad 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.