The interactions of phenazino-crown ether ligands with alkali, alkaline earth and selected toxic species were investigated using density functional theory modelling by employing B3PW91/6-311G ++ (d, p) level of theory. The complex stability was analysed in terms of binding energies, perturbation energies, position of highest molecular orbital and energy gap values. In general, the complexes for...

We have analyzed the structure and bonding of gas-phase Cl-X and [HCl-X](+) complexes for X(+)= H(+), CH3 (+), Li(+), and Na(+), using relativistic density functional theory (DFT). We wish to establish a quantitative trend in affinities of the anionic and neutral Lewis bases Cl(-) and HCl for the various cations. The Cl-X bond becomes longer and weaker along X(+) = H(+), CH3 (+), Li(+), and Na(...

Understanding the electrode/electrolyte interface is crucial for optimizing electrocatalytic performances. Here, we demonstrate that nature of alkali metal cations can profoundly impact oxygen evolution activity surface-mounted metal–organic framework (SURMOF) derived electrocatalysts, which are based on NiFe(OOH). In situ Raman spectroscopy results show shifts Ni−O bending vibration inversely ...

19. OVERSTREET, R. AND L. JACOBSON. 1952. Mechanism of ion absorption by roots. Ann. Rev. Plant Physiol. 3: 189-206. 20. ROTHSTEIN, A. 1959. Role of the cell membrane in the metabolism of inorganic electrolytes. Bacteriol. Rev. 23: 175-97. 21. ScoTT, G. T. 1944. Cation exchange in Chlorella pyrenoidosa. J. Cell. Comp. Physiol. 23: 47-58. 22. Scowr, G. T. 1943. The mineral composition of Chlorel...

In the last several decades, significant efforts have been conducted to understand the fundamental reactivity of glucose derived from plant biomass in various chemical environments for conversion to renewable fuels and chemicals. For reactions of glucose in water, it is known that inorganic salts naturally present in biomass alter the product distribution in various deconstruction processes. Ho...

The gas-phase structures of alkali-metal cation complexes of threonine (Thr) are examined using infrared multiple photon dissociation (IRMPD) spectroscopy utilizing light generated by a free electron laser in conjunction with quantum chemical calculations. Spectra of Li+(Thr) and Na+(Thr) are similar and relatively simple, whereas K+(Thr), Rb+(Thr), and Cs+(Thr) include distinctive new IR bands...

19. OVERSTREET, R. AND L. JACOBSON. 1952. Mechanism of ion absorption by roots. Ann. Rev. Plant Physiol. 3: 189-206. 20. ROTHSTEIN, A. 1959. Role of the cell membrane in the metabolism of inorganic electrolytes. Bacteriol. Rev. 23: 175-97. 21. ScoTT, G. T. 1944. Cation exchange in Chlorella pyrenoidosa. J. Cell. Comp. Physiol. 23: 47-58. 22. Scowr, G. T. 1943. The mineral composition of Chlorel...

The Watson-Crick structure of DNA is among the most well-known molecular structures of our time. However, alternative base-pairing motifs are also known to occur, often depending on base sequence, pH, or the presence of cations. Pairing of cytosine (C) bases induced by the sharing of a single proton (C-H(+)-C) may give rise to the so-called i-motif, which occurs primarily in expanded trinucleot...

K+ is a competitive inhibitor of the uptake of the other alkali metal cations by yeast. Rb+ is a competitive inhibitor of K+ uptake, but Li+, Na+, and Cs+ act like H+. At relatively low concentrations they behave as apparent noncompetitive inhibitors of K+ transport, but the inhibition is incomplete. At higher concentrations they inhibit the remaining K+ transport competitively. Ca++ and Mg++ i...