ItemPalladium-Catalyzed Direct α‑C(sp3) Heteroarylation of Ketones 2 under Microwave Irradiation(American Chemical Society, 2019-04-19) Quillen, Andrew; Nguyen, Quynh; Neiser, Matthew; Lindsay, Kara; Rosen, Alexander; Ramirez, Stephen; Costan, Stefana; Johnson, Nathan; Do, Thuy Donna; Oscar, Rodriguez; Rivera, Diego; Atesin, Abdurrahman; Ateşin, Tülay Aygan; Ma, LiliHeteroaryl compounds are valuable building blocks in medicinal chemistry and chemical industry. A palladium-catalyzed direct α-C(sp3) heteroarylation of ketones under microwave irradiation is developed and reported in this study. Under optimized conditions, twentyeight (28) heteroarylated ketones were prepared in this study to demonstrate the substrate scope of this reaction. The ground-state optimized structure of Pd(0) active catalyst with 2-dicyclohexylphosphino-2′,4′,6′-triisopropylbiphenyl (XPhos) in toluene, and the products of its reaction with 3-bromopyridine and acetophone were studied using all-atom density functional theory. This study provided insightful information for palladium catalytic system design to generate heteroaryl compounds. ItemInvestigation on the Synthesis, Application and Structural Features of Heteroaryl 1,2-Diketones(2022-08-02) Wehrle, Robert J.; Rosen, Alexander; Nguyen, Thu Vu; Koons, Kalyn; Jump, Eric; Bullard, Mason; Wehrle, Natalie; Stockfish, Adam; Hare, Patrick M.; Atesin, Abdurrahman; Ateşin, Tülay A.; Ma, LiliA set of unsymmetrical heteroaryl 1,2-diketones were synthesized by a heteroarylation/oxidation sequence with up to 65% isolated yields. Palladium catalyst XPhos Pd G4 and SeO2 were the key reagents used in this methodology, and microwave irradiation was utilized to facilitate an efficient and ecofriendly process. The application of heteroaryl 1,2-diketones is demonstrated through the synthesis of an unsymmetrical 2-phenyl-3-(pyridin-3-yl)quinoxaline (5a) from 1-phenyl-2-(pyridin-3-yl)ethane-1,2-dione (4a). The lowest energy conformations of 4a and 5a were located using Density Functional Theory (DFT) at the M06-2X/def2-TZVP level of theory. Two lowest energy conformations of 4a differ with respect to the position of the N atom in the pyridyl ring and 0.27 kcal/mol energy difference between them corresponds to 60.4 and 39.6% at 50 °C in toluene. Four lowest energy conformations for 5a have the energy differences of 0.01, 0.03 and 0.07 kcal/mol that corresponds to 26.0, 25.7, 24.9 and 23.4%, respectively. A comparison of 4a and 5a to the less hindered analogs (oxalyl chloride and oxalic acid) is used to investigate the structural features and bonding using Natural Bond Orbital (NBO) analysis. ItemSt. Anne Woods and Wetland(Northern Kentucky University) Boyce, RichardSt. Anne Woods & Wetlands, constructed in 2012, is an open wetland surrounded by forest and located not far from the Ohio River near NKU's Research & Education Field Station, in Melbourne, KY. Collection of environmental data about the wetlands began on June 1, 2014. ItemOER in the Classroom(Northern Kentucky University) Smith, KellyKelly Smith, Coordinator of Collections & Discovery at Eastern Kentucky University Libraries, presented a session about open educational resources for the online workshop held June 23, 2020, Steely Library's afternoon specials: Courting the open movement--P-12 educators' changing relationship with information. ItemThe Black and Brown State of Affairs in 2020: A Student Panel Discussion on the Intersection of Race, Politics, and Education(Northern Kentucky University, 2020-11-17) Black and Brown Educators of Excellence, BBEofE; College of Education, NKU; Childs, David ItemMorality: Primary Intuitions and Fundamental Principles(Alfa-M, 2014) Richards, Jerald H. ItemMediation Practice in Kentucky: Adoption of the Uniform Mediation Act Would Help(Salmon P. Chase College of Law, 2015) Stephens, Henry L. ItemThinking Outside the Library Walls: Reaching Out to Our Patrons(American Association of Law Libraries, 2017) Whiteman, Michael; Baldree, Angela T.; Hennies, Tim ItemWhen is "Leaching" Not "Leaking"?: CERCLA Liability of Owners and Operators at the Time of Disposal(Environmental Law Institute, 1994-04) Stephens, Henry L. ItemA Fourth Glimpse of Black Lung Cases from the Sixth Circuit: Dickson v. Califano Revisited(Detroit College of Law, 1983) Stephens, Henry L. ItemThe Second Decade of Federal Black Lung Benefits: The Sixth Circuit Tightens the Reins(Detroit College of Law, 1982) Stephens, Henry L. ItemAnother Gasp at Part B Black Lung Benefits: The Sixth Circuit Expands and Interprets its Prior Decisions(Detroit College of Law, 1981) Stephens, Henry L. ItemAsculum Defeats: Prosecution Losses in the Military Commissions and How They Help the United States(National Security Law Journal, 2016) Bickers, John M.