Protonation studies of modified adenine and adenine nucleotides by theoretical calculations and ¹⁵N NMR

Keyphrases

• Protonation 100%
• Adenine nucleotides 100%
• 15N NMR 100%
• Protonation Site 100%
• ATP Derivatives 66%
• Polarizable Continuum Model 66%
• Protonated Species 66%
• Adenine Base 66%
• Density Functional Theory 33%
• Base Pairing 33%
• Thioether 33%
• ATP Analogues 33%
• Metal Ions 33%
• Acidity Constant 33%
• Quantum Mechanical Methods 33%
• Nucleos(t)ide Analogues 33%
• NMR Measurements 33%
• 15N NMR Spectroscopy 33%
• Molecular Recognition 33%
• Model Calculation 33%
• Proton Transfer Equilibrium 33%
• Computational Procedures 33%
• Nucleobases 33%
• Mixed Population 33%
• Nitrogen Heterocycles 33%
• Purine Analogues 33%
• Gas Phase Proton Affinity 33%
• Nucleic Acid Bases 33%
• Proton Affinity 33%
• Self-association 33%
• Association Interactions 33%
• Acid-base Characters 33%

Chemistry

• ATP 100%
• pKa 100%
• 15N NMR Spectroscopy 100%
• Nucleotide 100%
• Adenine 100%
• protonation 100%
• Acid Dissociation Constant 33%
• Proton Affinity 33%
• Base 33%
• Proton Transfer 16%
• Quantum Mechanical Method 16%
• Nitrogen 16%
• Molecular Recognition 16%
• Self-Association 16%
• Alkalinity 16%
• Heterocyclic Compound 16%
• Nucleobase 16%
• Nucleic Acid 16%
• Purine 16%
• Metal Ion 16%
• Density Functional Theory 16%