Can carbonic acid protonate biological bases? Support from base protonation in methanol solvent

Autor: Aminov Daniel, Pines Dina, Philip M. Kiefer, Daschakraborty Snehasis, James T. Hynes, Pines Ehud

Publikováno v: EPJ Web of Conferences, Vol 205, p 09005 (2019)

In separate contributions, we have focussed on demonstrating that carbonic acid (CA) - historically considered too unstable to be a viable protonating agent - is able to protonate several types of pH indicators while behaving as a regular, moderately

Externí odkaz: https://doaj.org/article/65bbc5c1c8ed4b47b98641400faa7ab6

Intact carbonic acid is a viable protonating agent for biological bases

Autor: Dina Pines, Daniel Aminov, James T. Hynes, Philip M. Kiefer, Snehasis Daschakraborty, Ehud Pines

Publikováno v: Proceedings of the National Academy of Sciences of the United States of America
Proceedings of the National Academy of Sciences of the United States of America, National Academy of Sciences, 2019, 116 (42), pp.20837-20843. ⟨10.1073/pnas.1909498116⟩

Carbonic acid H(2)CO(3) (CA) is a key constituent of the universal CA/bicarbonate/CO(2) buffer maintaining the pH of both blood and the oceans. Here we demonstrate the ability of intact CA to quantitatively protonate bases with biologically-relevant

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::214d6d50c1a651e48f7d001d8cb3581c
https://hal.sorbonne-universite.fr/hal-02967085/document

Reaction Mechanism for Direct Proton Transfer from Carbonic Acid to a Strong Base in Aqueous Solution II: Solvent Coordinate-Dependent Reaction Path

Autor: Yair Motro, Ehud Pines, Snehasis Daschakraborty, Philip M. Kiefer, Dina Pines, Yifat Miller, James T. Hynes

Publikováno v: The Journal of Physical Chemistry B. 120:2281-2290

The protonation of methylamine base CH3NH2 by carbonic acid H2CO3 within a hydrogen (H)-bonded complex in aqueous solution was studied via Car-Parrinello dynamics in the preceding paper (Daschakraborty, S.; Kiefer, P. M.; Miller, Y.; Motro, Y.; Pines

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e8af2a76408adcc8201a4a92b6adcb68
https://doi.org/10.1021/acs.jpcb.5b12744

How Acidic Is Carbonic Acid?

Autor: Philip M. Kiefer, Julia Ditkovich, Yifat Miller, Dina Pines, Ehud Pines, Snehasis Daschakraborty, James T. Hynes, Tzach Mukra

Carbonic, lactic, and pyruvic acids have been generated in aqueous solution by the transient protonation of their corresponding conjugate bases by a tailor-made photoacid, the 6-hydroxy-1-sulfonate pyrene sodium salt molecule. A particular goal is to

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::88f2c424acc4873e6fde3b6ff3198d35
https://europepmc.org/articles/PMC5747581/

Kinetic Isotope Effects for Nonadiabatic Proton Transfer Reactions in a Polar Environment. 1. Interpretation of Tunneling Kinetic Isotopic Effects

Autor: James T. Hynes, Philip M. Kiefer† and

Publikováno v: The Journal of Physical Chemistry A. 108:11793-11808

A theoretical study of primary kinetic isotope effects (KIEs) is presented for proton transfer (PT) reactions in a polar environment in the nonadiabatic, i.e., tunneling, regime. This treatment differs from traditional descriptions for PT most notabl

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3c932e7cac80eba4e627ca7a5d317763
https://doi.org/10.1021/jp040497p