N. Gonnella

发表

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.

C. Tautermann, C. Senanayake, K. Fandrick, 2017, The Journal of organic chemistry.

Deconvolution of fast exchange equilibrium states in NMR spectroscopy using virtual reference standards and probability theory.

Dongyue Xin, N. Gonnella, Xiaozhou Ji, 2020, Organic & biomolecular chemistry.

Development of a large scale asymmetric synthesis of the glucocorticoid agonist BI 653048 BS H3PO4.

Jinhua J. Song, B. Narayanan, C. Senanayake, 2013, The Journal of organic chemistry.

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.

K. Fandrick, Dongyue Xin, C. Sader, 2017, Organic & biomolecular chemistry.

Other Specialized Flow NMR

N. Gonnella, 2020 .

Solvent effects on the conformation of cyclo(-D-Trp-D-Asp-Pro-D-Val-Leu-). An NMR spectroscopy and molecular modeling study.

W. Guida, R. Bohacek, X. Zhang, 2009, International journal of peptide and protein research.

Evaluating the Predictive Abilities of Protocols Based on Hydrogen-Bond Propensity, Molecular Complementarity, and Hydrogen-Bond Energy for Cocrystal Screening

C. Aakeröy, Dongyue Xin, N. Gonnella, 2020 .

Ambient temperature hydrophosphination of internal, unactivated alkynes and allenyl phosphineoxides with phosphine borane complexes.

C. Senanayake, Shengli Ma, Heewon Lee, 2009, Organic letters.

Enzyme-Transporter Interplay in the Formation and Clearance of Abundant Metabolites of Faldaprevir Found in Excreta but not in Circulation

D. Tweedie, Jun Xu, Yongmei Li, 2014, Drug Metabolism and Disposition.

Design and construction of a simple double-tuned, single-input surface-coil probe

N. Gonnella, Robin F Silverman, 1989 .

Studies of tautomers and protonation of adenine and its derivatives by nitrogen-15 nuclear magnetic resonance spectroscopy

John D. Roberts, H. Nakanishi, K. Kanamori, 1983 .

Asymmetric methallylation of ketones catalyzed by a highly active organocatalyst 3,3'-F2-BINOL.

Jinhua J. Song, Jun Wang, C. Senanayake, 2013, Organic letters.

Introduction to LC-NMR

N. Gonnella, 2020, LC-NMR.

NMR-Associated Isolation Technologies

N. Gonnella, 2020, LC-NMR.

Structure Elucidation of a Complex Faldaprevir‐(±)‐α‐Tocopherol Addition Product Reveals Reactivity of Common Excipient Vitamin E‐TPGS

D. Norwood, S. A. Rodriguez, N. Gonnella, 2016 .

Automated Solid Phase Extraction (SPE) LC/NMR Applied to the Structural Analysis of Extractable Compounds from a Pharmaceutical Packaging Material of Construction

D. Norwood, N. Gonnella, S. Pennino, 2013, PDA Journal of Pharmaceutical Science and Technology.

Pharmaceutical Packaging Material of Construction the Structural Analysis of Extractable Compounds from a Automated Solid Phase Extraction ( SPE ) LC / NMR Applied to on November

D. Norwood, N. Gonnella, S. Pennino, 2013 .

Stereochemical analysis and complete 1H/13C NMR chemical shift assignments of matrine. Application of NOE and two‐dimensional NMR techniques

N. Gonnella, Jen Chen, 1988 .

A 1H NMR technique for observing metabolite signals in the spectrum of perfused liver.

R. Shulman, G. Shulman, T. Jue, 1985, Proceedings of the National Academy of Sciences of the United States of America.

13C nuclear magnetic resonance spectroscopy of glucose metabolism in human red blood cells

G. Ghai, N. Gonnella, 1988, Magnetic resonance in medicine.

Effect of L‐thyroxine (LT4) and D‐thyroxine (DT4) on cardiac function and high‐energy phosphate metabolism: A 31P NMR study

N. Gonnella, R. Steele, G. S. Sandhu, 1991, Magnetic resonance in medicine.

Structure Elucidation of Poly-Faldaprevir: Polymer Backbone Solved Using Solid-State and Solution Nuclear Magnetic Resonance Spectroscopy.

Jiang-Ping Wu, A. Ding, Thomas J Offerdahl, 2016, Journal of pharmaceutical sciences.

Study and characterization of crystalline hydrate/polymorph forms of 5,11-dihydro-11-ethyl-5-methyl-8-(2-(1-oxido-4-quinolinyl)ethyl-6H-dipyrido(3,2-B:2',3'-E)(1,4)diazepin-6-one by solid-state NMR and solution NMR.

D. Norwood, J. Smoliga, C. Busacca, 2010, Journal of pharmaceutical and biomedical analysis.

31P Solid state NMR study of structure and chemical stability of dichlorotriphenylphosphorane

D. Norwood, Shengli Ma, N. Grinberg, 2009, Magnetic resonance in chemistry : MRC.

Process Development of the BACE Inhibitors BI 1147560 BS and BI 1181181 MZ

Jinhua J. Song, S. Venkatraman, C. Senanayake, 2022, Organic Process Research & Development.

NMR Instrumentation and Probe Technologies

N. Gonnella, 2013 .

Direct titanium-mediated conversion of ketones into enamides with ammonia and acetic anhydride.

C. Senanayake, Shengli Ma, Heewon Lee, 2012, Angewandte Chemie.

Rhodium-Catalyzed Addition of Aryl Boronic Acids to 2,2-Disubstituted Malononitriles.

C. Senanayake, A. Howell, Z. Han, 2017, Angewandte Chemie.

Copper-Catalyzed Asymmetric Propargylation of Cyclic Aldimines.

C. Senanayake, K. Fandrick, Daniel R Fandrick, 2016, Organic letters.

A mild dihydrobenzooxaphosphole oxazoline/iridium catalytic system for asymmetric hydrogenation of unfunctionalized dialins.

Jinhua J. Song, C. Senanayake, K. McKellop, 2014, Angewandte Chemie.

Synthesis and reactions of (4,5-dicarbomethoxy-1,3-dithiolyl)tributylphosphonium tetrafluoroborate

M. Cava, N. Gonnella, Masaru Sato, 1979 .

Diastereoselective Synthesis of α-Quaternary Aziridine-2-carboxylates via Aza-Corey-Chaykovsky Aziridination of N-tert-Butanesulfinyl Ketimino Esters.

C. Senanayake, Xudong Wei, K. Fandrick, 2015, Organic letters.

GENERAL METHOD FOR DETERMINING ABSOLUTE CONFIGURATION OF ACYCLIC ALLYLIC ALCOHOLS

K. Nakanishi, V. Martín, K. Sharpless, 1982 .

Syntheses and spectral properties of tropocoronands, a new class of versatile metal-complexing macrocycles derived from aminotropone imines

K. Nakanishi, A. Zask, C. Turner, 1986 .

Carbamoyl anion addition to N-sulfinyl imines: highly diastereoselective synthesis of α-amino amides.

C. Senanayake, K. Fandrick, Shengli Ma, 2013, Journal of the American Chemical Society.

A New Synthesis of Aromatic Dithioesters

M. Cava, M. V. Lakshmikantham, N. Gonnella, 1979 .

The design, structure, and clinical update of small molecular weight matrix metalloproteinase inhibitors.

A. Jeng, N. Gonnella, J. Skiles, 2004, Current medicinal chemistry.

Studies of the tautomerism of purine and the protonation of purine and its 7- and 9-methyl derivatives by nitrogen-15 nuclear magnetic resonance spectroscopy

John D. Roberts, N. Gonnella, 1982 .

Facile entry to an efficient and practical enantioselective synthesis of a polycyclic cholesteryl ester transfer protein inhibitor.

Jinhua J. Song, M. Ostermeier, J. Mack, 2014, Organic letters.

Concise and Practical Asymmetric Synthesis of a Challenging Atropisomeric HIV Integrase Inhibitor.

Y. Tsantrizos, Jiang-Ping Wu, C. Senanayake, 2015, Angewandte Chemie.

ORGANIC METALS- A GENERAL SYNTHESIS OF UNSYMMETRICAL TETRATHIAFULVALENES

M. Cava, N. Gonnella, 1978 .

Catalytic asymmetric hydrogenation of heterocyclic ketone-derived hydrazones, pronounced solvent effect on the inversion of configuration

C. Senanayake, Shengli Ma, Heewon Lee, 2011 .

Solvate Prediction for Pharmaceutical Organic Molecules with Machine Learning

Xiaorong He, Keith Horspool, Dongyue Xin, 2019, Crystal Growth & Design.

Insights into chromatographic enantiomeric separation of allenes on cellulose carbamate stationary phase.

E. Franses, C. Senanayake, N. Yee, 2014, Journal of chromatography. A.

Residues 21–30 within the Extracellular N-terminal Region of the C5a Receptor Represent a Binding Domain for the C5a Anaphylatoxin*

W. Boyar, F. Ni, Zhigang Chen, 1998, The Journal of Biological Chemistry.

D iCE: Diastereomeric in Silico Chiral Elucidation, Expanded DP4 Probability Theory Method for Diastereomer and Structural Assignment.

Dongyue Xin, Paul-James Jones, N. Gonnella, 2018, The Journal of organic chemistry.

OPTICS: Operant Probability Theory in Crystal Solutions, Application of ssNMR, and Probability Theory in Polymorph Identification

Gabriel A. Valdivia-Berroeta, N. Gonnella, K. Sarpal, 2021, Crystal Growth & Design.

1H and 13C NMR assignments of all three isomeric o‐fluoronaphthaldehydes and three o‐fluorophenanthrene aldehydes

C. Senanayake, C. Busacca, N. Gonnella, 2010, Magnetic resonance in chemistry : MRC.

Practical Large‐Scale Synthesis of the Hepatitis C Virus Protease Inhibitor BI 201335

C. Senanayake, Xudong Wei, J. Smoliga, 2012 .

Start selective and rigidify: The discovery path towards a next generation of EGFR tyrosine kinase inhibitors.

Julian E. Fuchs, P. Ettmayer, A. Baum, 2019, Journal of medicinal chemistry.

Solution structure of the catalytic domain of human collagenase-3 (MMP-13) complexed to a potent non-peptidic sulfonamide inhibitor: binding comparison with stromelysin-1 and collagenase-1.

X. Zhang, J. Koehn, V. Ganu, 2000, Journal of molecular biology.

Carbon-13 and carbon-14 labeled dabigatran etexilate and tritium labeled dabigatran.

C. Senanayake, Maxim V. Chevliakov, B. Latli, 2016, Journal of labelled compounds & radiopharmaceuticals.

Structural definition of the C5a C terminus by two‐dimensional nuclear magnetic resonance spectroscopy

W. Boyar, L. Wennogle, X Zhang, 1997, Proteins.

Solution structure of a unique C5a semi‐synthetic antagonist: Implications in receptor binding

W. Boyar, N. Gonnella, N. Galakatos, 1997, Protein science : a publication of the Protein Society.

Probing the cation binding modes of macrocyclic HCV protease inhibitor BILN 2061 by multinuclear NMR.

C. Senanayake, Paul-James Jones, C. Busacca, 2012, Journal of pharmaceutical and biomedical analysis.

Chromatographic Separation and NMR An Integrated Approach in Pharmaceutical Development.

N. Gonnella, 2012, Advances in chromatography.

Quantitative Evaluation of Aqueous Isopropanol Enhancement of Skin Flux of Terbutaline (Sulfate). I. Ion Associations and Species Equilibria in the Formulation

W. Good, N. Gonnella, T. Kurihara-Bergstrom, 1992, Pharmaceutical Research.

The design, structure, and therapeutic application of matrix metalloproteinase inhibitors.

A. Jeng, N C Gonnella, A Y Jeng, 2001, Current medicinal chemistry.

Bioactive conformation of a potent stromelysin inhibitor determined by X-nucleus filtered and multidimensional NMR spectroscopy.

X. Zhang, Y. Li, N C Gonnella, 1997, Bioorganic & medicinal chemistry.

LC-NMR

N. Gonnella, 2020 .

LC-NMR: Expanding the Limits of Structure Elucidation

N. Gonnella, 2013 .

Practical Synthesis of Terminal Vinyl Fluorides.

Joyce C. Leung, M. Kozlowski, Bangaru Bhaskararao, 2023, The Journal of organic chemistry.

Organic metals: A general synthesis of unsymmetrical tetrathiafulvalenes

M. Cava, N. Gonnella, 1978 .

N-oxidation Regioselectivity and Risk Prediction Using DFT-ALIE Calculations

Gabriel A. Valdivia-Berroeta, N. Gonnella, 2023, Pharmaceutical Research.

Evaluation of 31P NMR spectroscopy as an indicator of chemically induced hepatic toxicity in the rat: Comparison with serum enzyme levels and pathology

N. Gonnella, M. Schlosser, J. Plutchok, 1991, NMR in biomedicine.

Solution structure of the catalytic domain of human stromelysin-1 complexed to a potent, nonpeptidic inhibitor.

Y. Li, X. Zhang, V. Ganu, 1998, Biochemistry.

Isotope-Filtered Affinity NMR

N. Gonnella, J. Wareing, Michael J. Shapiro, 1998, Journal of magnetic resonance.