H3O+ move faster than crown, while as fast tiara. Coronation matters in hydronium solvate ionic liquids.

The behavior of hydronium and hydroxide ions at the water/alkane, water/vapor, and water/rigid wall interfaces was investigated by means of molecular dynamics simulations. All these interfaces exhibit a strong affinity for hydronium, which is in agreement with spectroscopic and low pH zeta-potential measurements. Except for the water/rigid wall interface, which strongly structures water and wea...

A system which combines column switching and concentration was developed. A binary eluent mechanism was developed to study the effect of high sample concentration matrix on retention time shifts of the trace analyte. Separation conditions were chosen according to this mechanism to reduce the retention time shift of ammonium in the presence of high concentration sodium ion: high concentration su...

We present a theory that is able to account quantitatively for the surface and interfacial tensions of different electrolyte solutions. It is found that near the interface, ions can be separated into two classes: the kosmotropes and the chaotropes. While the kosmotropes remain hydrated near the interface and are repelled from it, the chaotropes loose their hydration sheath and become adsorbed t...

Abstract. We herein report on the development of a new prototype PTR-ToF-MS (proton-transfer-reaction time-of-flight mass spectrometry) instrument that combines hollow cathode glow discharge (HCGD) ion source with focusing ion–molecule reactor (FIMR), which consists resistive glass drift tube surrounded by quadrupole rods. The configuration hybridizes two main current commercial designs. provid...

Oxidative damage to DNA, implicated in mutagenesis, aging, and cancer, follows electron loss that generates a radical cation that migrates to a guanine, where it may react with water to form 8-oxo-7,8-dihydroguanine (8-OxoG). Molecular dynamics and ab initio quantum simulations on a B-DNA tetradecamer reveal activated reaction pathways that depend on the local counterion arrangement. The lowest...

In aqueous and alcohol solutions, colorless and non-fluorescent derivatives of 9-aryl-9H-xanthen-9-ol equilibrate with brightly colored and fluorescent 9-arylxanthylium cations, thus offering a convenient platform for the design of dual-mode indicators for emission and absorption-based pH measurements. The position of the prototropic equilibrium depends only on the hydronium ion concentration a...