Tuesday

M. Milletti, Organizer, Presiding

8:25 1. Computational investigation of a rhodium-catalyzed amidation reaction. L. Mangas, M. Milletti

8:45 2. Investigating modes of precatalyst deaggregation in a rhenium-catalyzed alkylation of phenols. A.S. Havens, M. Milletti

9:05 5. A quantum-chemical tale of the Earth's rarest element astatine and its remarkable medical isotope At-211. A. Rusakov, V.T. Casetti, J.A. Adamski, J. MacLean

9:25 6. Computational Investigation of the Adsorption of Per- and Poly-fluoroalkyl substances (PFAS) on Fluorographene Surfaces. S. Bekele, R.J. Berry, M. Tsige

9:45 7. Quantification of rigidity of small organic molecules. J.E. Robertson, Q.R. Chu

A. Adhikary, Organizer, Presiding

8:30 Opening remarks.

8:35 13. Simulating the physical and chemical stages of radiation damage: Track structure codes. M. Dingfelder

9:15 14. Radiation-Induced Damage to DNA: An Up-to-date Review of Mechanisms. A. Adhikary, M.D. Sevilla

9:55 Intermission.

10:10 15. Creation of tools for the investigation of the role of posttranslational modifications in U2 snRNA. I. Sappy, B. Alabdullah, A. Akrimah, R. Shaik, J. Groenvelt, F. Bedi, C.S. Chow, A.C. Bryant-Friedrich

10:50 16. The Directionality of Hole Transfer Between the Base and Sugar-Phosphate Backbone in DNA and its Dependence on the Number of S-Atom Substitutions. S. Ward, S.A. Denisov, R. Kaczmarek, E. Radzikowska-Cieciura, A. Kumar, M.D. Sevilla, R. Dembinski, M. Mostafavi, A. Adhikary

N. K. Beyeh, Organizer

Z. J. Kinney, Presiding

8:25 Introductory Remarks.

8:30 8. Intracellular tools to study protein assemblies regulated by O-GlcNAc sugar modifications during signaling. C. Fehl

9:00 9. Squid-inspired polypeptides as dynamic self-healing materials. A. Pena-Francesch

9:30 10. Functional Protein-based Chemical Motor Coatings for Modular Self-Propulsion. C. Kinane, C. Lin, A. Pena-Francesch

10:00 Intermission.

10:25 11. Isomeric naphthodithiophenes as macrocyclic building blocks for functional materials. Z.J. Kinney

10:55 12. Complexation of Azobenzene Dyes inside Cucurbituril[7]. S. Kommidi, B. Smith

11:25 Closing Remarks.

P. J. Dobrowolski, Organizer

P. L. Toogood, Presiding

8:45 Opening remarks.

8:50 17. Finding, Validating and Developing Novel Molecules that Target Key Drivers of the Immune System. D. Wustrow

9:45 18. Application of Chemical Biology Probes and Bioorthogonal Chemistry in Drug Discovery. D. Johnson

10:25 Intermission.

10:35 19. Drug Discovery in Pharma, Academia and Not-for-Profit Organizations. C.E. Augelli-Szafran

A. Martin, Organizer

11:30 - 1:30

20. Ratio of ProBDNF to mature BDNF in human lung cancer cell media. K. Coleman, R. Ray, H. Al Khashali, S. Atali, J. Guthrie, D. Heyl, H. Evans

21. Molecular characterization of the TTD and PHD histone binding domains of the epigenetic regulator UHRF2. B. Albaugh, S. Ginnard, A. Winkler, C. Mellado Fritz, R. Kemmer, T. Bluhm, I. Miller, P. Khuansanguan, N. Butkevich, M. Gilliam, K. Bricker, T. Petzold, D. Heyl, R.C. Trievel

22. Platinum(II)-IGFBP-3 analog conjugates with anticancer properties. C. Chitwood, H. Evans, J. Guthrie, D. Heyl

23. Viperin: A Novel Antiviral Protein. S. Majhi, N. Marsh

24. Investigating the structure of UHRF2 TTD-PHD with H3K9me3. S. Konopka, I. Miller, B. Albaugh

25. Viperin: A Novel Antiviral Protein. S. Majhi, N. Marsh

26. Utilizing MOE to generate NAIR analogs that covalently bind to AIR carboxylase Lys304. A.R. Schilke, S.M. Firestine

27. Identification of new regulator of PARP1 by human proteome microarray. N. Dharmapriya, I. Kim

28. The Development of a Thermal Binding Assay for Bacterial PabB and its Applicability to High-Throughput Screening. M. Sharma, S.M. Firestine

29. Determining Function of Autophagy Proteins: Testing the Effect of Atg10 Mutants on Autophagy. S. Campbell, K. Lautenschlager, S.K. Backues

30. Identifying structural bases of ADP-ribosylhydrolases (ARHs) for specific substrate recognition and cleavage. M. Medearis, S. Kasson, Y. Pourfarjam, I. Kim

31. Withdrawn

32. Combining metabolomics with high-content imaging to accelerate the discovery pipeline and characterization of cytotoxic anti-cancer leads sourced from plant natural products. K. Shafiq, R. Kersten, J.Z. Sexton

33. Study on the Nanoparticles for the Treatment of Neurodegenerative Disease. R. Kyung, E. Zhuo

34. Stereochemical and Thermodynamic Analysis of Nanoparticles Used in the Periodontitis Treatment. R. Kyung, R. Park

35. Histone binding properties of full-length UHRF1. J.R. Kean, B. Albaugh

36. High throughput screening for the identification of small molecule modulators of the hnRNP A1—pri-miR-18a in lung and prostate cancer. E.N. Van Meter, K. Teske

37. Through-the-looking-glass diet: Docking study on the binding of digestive enzymes with “normal” versus mirror-image substrates.. U. Miranda Beitia, S.P. Wathen

38. Development of a Novel Scaffold for Beta-Cell Proliferation. S.M. McCarty, M.C. Clasby, J. Sexton

39. Molecular probes for high-throughput screening of GLUT5 activity in live cells. M. Nyansa, A. Oronova, M. Tanasova

40. Synthesis and Fate of 2’ Radical Precursors of Uridine and 2’-O-Me Uridine. R. Ibrahim, A. Obeid, D. Sygit, M. Bedi, A.C. Bryant-Friedrich

41. Discovery and development of small molecule Sarcoplasmic Reticulum Ca2+-ATPase (SERCA) activators for the treatment of diastolic dysfunction. A. Ard

G. M. Wilmes, Organizer, Presiding

1:30 Introductory Remarks.

1:35 61. Photoresponsive Silicon-based Smart Sponges Toward Environmental Remediation Applications. J.C. Furgal, N. Hu, M.R. Rashed, A. Greene

2:05 62. Self-healing and reconfigurable protein-based magnetic actuators. Z. Zhang, A. Pena-Francesch

2:35 Intermission.

2:45 63. Hyaluronic acid functionalized with British anti-Lewisite (dimercaprol) as a “BioBinder” for safer cobalt chelation therapy to treat metallosis from metal-on-metal hip implants. S. Schmidt

3:15 64. Self-healing elastomers for information encryption and sensing. T. Yimyai, D. Crespy, A. Pena-Francesch

Y. Sevryugina, Organizer, Presiding

1:00 Introductory Remarks.

1:15 42. Publication Practices in Biomedical Sciences during the COVID-19 Pandemic. Y. Sevryugina

1:45 43. Detecting Research Communities From The Scientific Literature. G. Chacko, T. Warnow

2:15 Intermission.

2:30 44. Automated Chemical Design (ACD) Levels for Describing Discovery Autonomy. I.M. Pendleton, T. Kramer, P. Riley, S. Kearnes, P. Walters

3:00 45. Chemical Information and Chemical Synthesis. T. Cernak

3:30 46. Drug-induced phospholipidosis confounds drug repurposing for SARS-CoV-2. M.J. O'Meara

M. Young, Organizer, Presiding

1:20 Introduction.

1:25 55. Regiodivergent Alkene Difunctionalizations for N-Heterocycles Syntheses. W. Li

2:00 56. Intermolecular aziridination using sulfamate-derived carbohydrates. I. Alahakoon Mudiyanselage, P. Thapa, J. Zhu, M. Young

2:20 57. Organosupramolecular-Catalyzed Diels-Alder Reaction. K.K. Shrestha, M.A. Hilyard, I. Alahakoon, M. Young

2:40 Break.

2:50 58. Amine-Directed Functionalization of Alkenes Through Insertion and C–H Activation Pathways. M. Young, V.G. Landge, A.J. Grant, A. Bonds

3:25 59. β-Aryl, α-Trifluoroacetoxylation of Michael Acceptors Catalyzed by Palladium Catalysis. A. Gohmann

3:45 60. Synthesis of Rh2(A)4 Complexes Tethering Hydrogen-Bonding Functionality and Site-Selective Functionalization. V. Satheesh, I. Alahakoon, K.K. Shrestha, M. Young

4:05 Wrap-Up.

A. Adhikary, Organizer, Presiding

1:15 Opening remarks.

1:20 51. Mutagenesis and repair of γ-radiation-induced guanine-thymine and thymine-guanine intra-strand cross-links. A.K. Basu, L. Colis, J.T. Bacurio

2:00 52. Ultrahigh dose-rate kV x-ray system for basic and translational radiation research: A case study on DNA damage. M. Rezaee, D. Sforza, D. Miles, Y. Jang, F. Bunz, J. Wong

2:40 Intermission.

2:55 53. Role of oxidative stress, persistent DNA damage, premature senescence, and acquisition of senescence-associated secretory phenotype (SASP) in space radiation-induced carcinogenesis. S. Suman, S. Kumar, K. Kumar, K. Datta, A.J. Fornace Jr

3:35 54. A designer multifunctional nanozyme liberates osteoblastogenesis, represses osteoclastogenesis, and protects against ionizing radiation-induced bone loss. F. Wei, C. Neal, T. Sakthivel, Y. Fu, M. Omer, A. Adhikary, S. Ward, K. Minh, S. Moxon, M. Molinari, S. Yarmolenko, V. Cheong, N. Orlovskaya, R. Ghosh, S. Seal, M. Coathup

P. J. Dobrowolski, Organizer

J. J. Edmunds, Presiding

1:10 Opening remarks.

1:15 47. Targeting the Janus kinase family to treat autoimmune diseases. J.J. Edmunds

1:55 48. When Opportunity Knocks: The KMN-159 Story. S.D. Barrett

2:35 Intermission.

2:50 49. Innovations in Companion Animal Therapeutics. A.J. Gonzales

3:30 50. Discovery and Development of SPEAR a first in class novel biopesticide for crop protection. Will agriculture follow pharmaceutics in a shift to biologics?. B. Kennedy