ArticleJournal of the American Society for Mass Spectrometry2006
Revising the proton affinity scale of the naturally occurring alpha-amino acids.
Article in Journal of the American Society for Mass Spectrometry, 2006. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 36 papers.
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Who cites it
36 citing papers in PubMed.
- The Road to the Full Sequencing of Natural Frogs' Peptides Relying Solely on Mass Spectrometry.Mass spectrometry (Tokyo, Japan) · 2025Review
- Benchmark Ab Initio Determination of the Conformers, Proton Affinities, and Gas-Phase Basicities of Cysteine.The journal of physical chemistry. A · 2022Article
- Vibrational Spectroscopy of Homo- and Heterochiral Amino Acid Dimers: Conformational Landscapes.Molecules (Basel, Switzerland) · 2021Article
- Substituent Effects on the Basicity of Patriscabrin A and Lettucenin A: Evolution Favors the Aromatic?ACS omega · 2021Article
- Gas-Phase Ion/Ion Chemistry for Structurally Sensitive Probes of Gaseous Protein Ion Structure: Electrostatic and Electrostatic to Covalent Cross-Linking.International journal of mass spectrometry · 2021Article
- Structure of Proton-Bound Methionine and Tryptophan Dimers in the Gas Phase Investigated with IRMPD Spectroscopy and Quantum Chemical Calculations.The journal of physical chemistry. A · 2020Article
- Chiral Differentiation of Non-Covalent Diastereomers Based on Multichannel Dissociation Induced by 213-nm Ultraviolet Photodissociation.Journal of the American Society for Mass Spectrometry · 2019Article
- Ion/ion Charge Inversion/Attachment in Conjunction with Dipolar DC Collisional Activation as a Selective Screen for Sulfo- and Phosphopeptides.International journal of mass spectrometry · 2019Article
- Solution thermochemistry of concanavalin A tetramer conformers measured by variable-temperature ESI-IMS-MS.International journal of mass spectrometry · 2019Article
- Thermodynamics and Reaction Mechanisms for Decomposition of a Simple Protonated Tripeptide, HJournal of the American Society for Mass Spectrometry · 2019Article
- Infrared Multiple Photon Dissociation Spectroscopy of Cationized Canavanine: Side-Chain Substitution Influences Gas-Phase Zwitterion FormationInternational journal of mass spectrometry · 2018Article
- Molecular Structures and Momentum Transfer Cross Sections: The Influence of the Analyte Charge Distribution.Journal of the American Society for Mass Spectrometry · 2017Article
- Supramolecular Adducts of Cucurbit[7]uril and Amino Acids in the Gas Phase.Journal of the American Society for Mass Spectrometry · 2016Article
- Structure of Protonated Threonine Dimers in the Gas Phase: Salt-Bridged or Charge-Solvated?Journal of the American Society for Mass Spectrometry · 2015Article
- Review
- Investigation of bn-44 peptide fragments using high resolution mass spectrometry and isotope labeling.Journal of the American Society for Mass Spectrometry · 2014Article
- Conformational analysis of glutamic acid: a density functional approach using implicit continuum solvent model.Journal of molecular modeling · 2014Article
- Implementation of dipolar resonant excitation for collision induced dissociation with ion mobility/time-of-flight MS.Journal of the American Society for Mass Spectrometry · 2014Article
- Reinvestigation of the structure of protonated lysine dimer.Journal of the American Society for Mass Spectrometry · 2014Article
- Statistical analysis of ion mobility spectrometry. II. Adaptively biased methods and shape correlations.Journal of the American Society for Mass Spectrometry · 2012Article
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The proton affinities (PA) of the 20 naturally occurring alpha-amino acids (AA) have been determined computationally by means of density functional theory (DFT) and high-level G2(MP2) calculations. These theoretical PAs, together with data that have appeared since 1997 in the literature, are used to validate the most reasonable currently available PA scale for AAs (Harrison, A. G. Mass Spectrom. Rev. 1997, 16, 201-217.). Significant scatter is observed for the PAs of Ser, Asp, Phe, Asn, Met, Pro, Gln, Glu, Trp, His, Lys, and Arg, many of which have a basic side-chain functionality. Critical review of the available data leads to new consensus PAs for Asn, Gln, Met, and Arg of 222.4, 230.5, 223.7, and 250.2 kcal/mol, respectively.
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