Development of a 13C NMR Chemical Shift Prediction Procedure Using B3LYP/cc-pVDZ and Empirically Derived Systematic Error Correction Terms: A Computational Small Molecule Structure Elucidation Method
Xin, Dongyue, Sader, C. Avery, Chaudhary, Om, Jones, Paul-James, Wagner, Klaus, Tautermann, Christofer S, Yang, Zheng, Busacca, Carl A, Saraceno, Reginaldo A, Fandrick, Keith R, Gonnella, Nina C, Horspool, Keith, Hansen, Gordon, Senanayake, Chris H
Published in Journal of organic chemistry (19.05.2017)
Published in Journal of organic chemistry (19.05.2017)
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The Design, Structure, and Clinical Update of Small Molecular Weight Matrix Metalloproteinase Inhibitors
SKILES, Jerry W, GONNELLA, Nina C, JENG, Arco Y
Published in Current medicinal chemistry (01.11.2004)
Published in Current medicinal chemistry (01.11.2004)
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Rhodium‐Catalyzed Addition of Aryl Boronic Acids to 2,2‐Disubstituted Malononitriles
Malapit, Christian A., Caldwell, Donald R., Luvaga, Irungu K., Reeves, Jonathan T., Volchkov, Ivan, Gonnella, Nina C., Han, Zhengxu S., Busacca, Carl A., Howell, Amy R., Senanayake, Chris H.
Published in Angewandte Chemie International Edition (06.06.2017)
Published in Angewandte Chemie International Edition (06.06.2017)
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Development of a Large Scale Asymmetric Synthesis of the Glucocorticoid Agonist BI 653048 BS H3PO4
Reeves, Jonathan T, Fandrick, Daniel R, Tan, Zhulin, Song, Jinhua J, Rodriguez, Sonia, Qu, Bo, Kim, Soojin, Niemeier, Oliver, Li, Zhibin, Byrne, Denis, Campbell, Scot, Chitroda, Ashish, DeCroos, Phil, Fachinger, Thomas, Fuchs, Victor, Gonnella, Nina C, Grinberg, Nelu, Haddad, Nizar, Jäger, Burkhard, Lee, Heewon, Lorenz, Jon C, Ma, Shengli, Narayanan, Bikshandarkoil A, Nummy, Larry J, Premasiri, Ajith, Roschangar, Frank, Sarvestani, Max, Shen, Sherry, Spinelli, Earl, Sun, Xiufeng, Varsolona, Richard J, Yee, Nathan, Brenner, Michael, Senanayake, Chris H
Published in Journal of organic chemistry (19.04.2013)
Published in Journal of organic chemistry (19.04.2013)
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Asymmetric Methallylation of Ketones Catalyzed by a Highly Active Organocatalyst 3,3′‑F2‑BINOL
Zhang, Yongda, Li, Ning, Qu, Bo, Ma, Shengli, Lee, Heewon, Gonnella, Nina C, Gao, Joe, Li, Wenjie, Tan, Zhulin, Reeves, Jonathan T, Wang, Jun, Lorenz, Jon C, Li, Guisheng, Reeves, Diana C, Premasiri, Ajith, Grinberg, Nelu, Haddad, Nizar, Lu, Bruce Z, Song, Jinhua J, Senanayake, Chris H
Published in Organic letters (05.04.2013)
Published in Organic letters (05.04.2013)
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The Design, Structure, and Therapeutic Application of Matrix Metalloproteinase Inhibitors
SKILES, Jerry W, GONNELLA, Nina C, JENG, Arco Y
Published in Current medicinal chemistry (01.03.2001)
Published in Current medicinal chemistry (01.03.2001)
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Catalytic asymmetric hydrogenation of heterocyclic ketone-derived hydrazones, pronounced solvent effect on the inversion of configuration
Haddad, Nizar, Qu, Bo, Rodriguez, Sonia, van der Veen, Lars, Reeves, Diana C., Gonnella, Nina C., Lee, Heewon, Grinberg, Nelu, Ma, Shengli, Krishnamurthy, Dhileepkumar, Wunberg, Tobias, Senanayake, Chris H.
Published in Tetrahedron letters (20.07.2011)
Published in Tetrahedron letters (20.07.2011)
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Solvate Prediction for Pharmaceutical Organic Molecules with Machine Learning
Xin, Dongyue, Gonnella, Nina C, He, Xiaorong, Horspool, Keith
Published in Crystal growth & design (06.03.2019)
Published in Crystal growth & design (06.03.2019)
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Evaluating the Predictive Abilities of Protocols Based on Hydrogen-Bond Propensity, Molecular Complementarity, and Hydrogen-Bond Energy for Cocrystal Screening
Sarkar, Nandini, Gonnella, Nina C, Krawiec, Mariusz, Xin, Dongyue, Aakeröy, Christer B
Published in Crystal growth & design (04.11.2020)
Published in Crystal growth & design (04.11.2020)
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Automated Solid Phase Extraction (SPE) LC/NMR Applied to the Structural Analysis of Extractable Compounds from a Pharmaceutical Packaging Material of Construction
Norwood, Daniel L, Mullis, James O, Davis, Mark, Pennino, Scott, Egert, Thomas, Gonnella, Nina C
Published in PDA journal of pharmaceutical science and technology (01.05.2013)
Published in PDA journal of pharmaceutical science and technology (01.05.2013)
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Journal Article
Rhodium‐Catalyzed Addition of Aryl Boronic Acids to 2,2‐Disubstituted Malononitriles
Malapit, Christian A., Caldwell, Donald R., Luvaga, Irungu K., Reeves, Jonathan T., Volchkov, Ivan, Gonnella, Nina C., Han, Zhengxu S., Busacca, Carl A., Howell, Amy R., Senanayake, Chris H.
Published in Angewandte Chemie (06.06.2017)
Published in Angewandte Chemie (06.06.2017)
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Systematic investigation of DFT-GIAO 15N NMR chemical shift prediction using B3LYP/cc-pVDZ: application to studies of regioisomers, tautomers, protonation states and N-oxides
Xin, Dongyue, Sader, Charles Avery, Fischer, Udo, Wagner, Klaus, Jones, Paul-James, Xing, Minli, Fandrick, Keith R, Gonnella, Nina C
Published in Organic & biomolecular chemistry (28.01.2017)
Published in Organic & biomolecular chemistry (28.01.2017)
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Journal Article
Practical Synthesis of Terminal Vinyl Fluorides
Volchkov, Ivan, Powell, Brent V., Zatolochnaya, Olga V., Leung, Joyce C., Pennino, Scott, Wu, Lifen, Gonnella, Nina C., Bhaskararao, Bangaru, Kozlowski, Marisa C., Reeves, Jonathan T.
Published in Journal of organic chemistry (04.08.2023)
Published in Journal of organic chemistry (04.08.2023)
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Diastereoselective Synthesis of α‑Quaternary Aziridine-2-carboxylates via Aza-Corey–Chaykovsky Aziridination of N-tert-Butanesulfinyl Ketimino Esters
Marsini, Maurice A, Reeves, Jonathan T, Desrosiers, Jean-Nicolas, Herbage, Melissa A, Savoie, Jolaine, Li, Zhibin, Fandrick, Keith R, Sader, C. Avery, McKibben, Bryan, Gao, Donghong A, Cui, Jianwen, Gonnella, Nina C, Lee, Heewon, Wei, Xudong, Roschangar, Frank, Lu, Bruce Z, Senanayake, Chris H
Published in Organic letters (20.11.2015)
Published in Organic letters (20.11.2015)
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