Janesko BG - Search Results

1

Computational and Experimental Evidence for Templated Macrocyclization: The Role of a Hydrogen Bond Network in the Quantitative Dimerization of 24-Atom Macrocycles.

Menke AJ, Henderson NC, Kouretas LC, Estenson AN, Janesko BG, Simanek EE. Menke AJ, et al. Among authors: janesko bg. Molecules. 2023 Jan 23;28(3):1144. doi: 10.3390/molecules28031144. Molecules. 2023. PMID: 36770811 Free PMC article.

2

Triazine-Substituted and Acyl Hydrazones: Experiment and Computation Reveal a Stability Inversion at Low pH.

Ji K, Lee C, Janesko BG, Simanek EE. Ji K, et al. Among authors: janesko bg. Mol Pharm. 2015 Aug 3;12(8):2924-7. doi: 10.1021/acs.molpharmaceut.5b00205. Epub 2015 Jul 8. Mol Pharm. 2015. PMID: 26076408

3

A new triazine bearing a pyrazolone group capable of copper, nickel, and zinc chelation.

Yepremyan A, Mehmood A, Brewer S, Barnett MM, Janesko BG, Akkaraju G, Simanek EE, Green KN. Yepremyan A, et al. Among authors: janesko bg. RSC Adv. 2018;8(6):3024-3035. doi: 10.1039/c7ra09459k. Epub 2018 Jan 16. RSC Adv. 2018. PMID: 29503730 Free PMC article.

4

Synthesis of Macrocycles Derived from Substituted Triazines.

Yepremyan A, Mehmood A, Asgari P, Janesko BG, Simanek EE. Yepremyan A, et al. Among authors: janesko bg. Chembiochem. 2019 Jan 18;20(2):241-246. doi: 10.1002/cbic.201800475. Epub 2018 Dec 5. Chembiochem. 2019. PMID: 30311340

5

Efficient syntheses of macrocycles ranging from 22-28 atoms through spontaneous dimerization to yield bis-hydrazones.

Sharma VR, Mehmood A, Janesko BG, Simanek EE. Sharma VR, et al. Among authors: janesko bg. RSC Adv. 2020 Jan 20;10(6):3217-3220. doi: 10.1039/c9ra08056b. eCollection 2020 Jan 16. RSC Adv. 2020. PMID: 35497724 Free PMC article.

6

Well-Tempered Metadynamics Simulations Predict the Structural and Dynamic Properties of a Chiral 24-Atom Macrocycle in Solution.

Capelli R, Menke AJ, Pan H, Janesko BG, Simanek EE, Pavan GM. Capelli R, et al. Among authors: janesko bg. ACS Omega. 2022 Aug 8;7(34):30291-30296. doi: 10.1021/acsomega.2c03536. eCollection 2022 Aug 30. ACS Omega. 2022. PMID: 36061685 Free PMC article.

7

Controlling Swing Rates in Macrocyclic Molecular Mortise Hinges.

Menke AJ, Mellberg JM, Pan H, Reibenspies JH, Janesko BG, Simanek EE. Menke AJ, et al. Among authors: janesko bg. Chemistry. 2023 Aug 4;29(44):e202300987. doi: 10.1002/chem.202300987. Epub 2023 Jul 7. Chemistry. 2023. PMID: 37229593

8

Comparing Density Functional Theory Metal-Ligand Bond Dissociation Enthalpies with Experimental Solution-Phase Enthalpies of Activation for Bond Dissociation.

Brothers EN, Bengali AA, Scalmani G, Janesko BG, Verma P, Truhlar DG, Frisch MJ. Brothers EN, et al. Among authors: janesko bg. J Phys Chem A. 2023 Nov 23;127(46):9695-9704. doi: 10.1021/acs.jpca.3c04838. Epub 2023 Nov 8. J Phys Chem A. 2023. PMID: 37939355

9

3-Methyleneisoindolin-1-one Assembly via Base- and CuI/l-Proline-Catalyzed Domino Reaction: Mechanism of Regioselective Anionic Cyclization.

Li L, Janesko BG. Li L, et al. Among authors: janesko bg. J Org Chem. 2016 Nov 18;81(22):10802-10808. doi: 10.1021/acs.joc.6b01904. Epub 2016 Nov 3. J Org Chem. 2016. PMID: 27809508

10

Mechanistic Insights into Iron-Catalyzed C-H Bond Activation and C-C Coupling.

Brewer SM, Schwartz TM, Mekhail MA, Turan LS, Prior TJ, Hubin TJ, Janesko BG, Green KN. Brewer SM, et al. Among authors: janesko bg. Organometallics. 2021 Aug 9;40(15):2467-2477. doi: 10.1021/acs.organomet.1c00211. Epub 2021 Jul 20. Organometallics. 2021. PMID: 36210909 Free PMC article.

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