0009-2614/$ see front matter 2008 Elsevier B.V. A doi:10.1016/j.cplett.2008.04.010 * Corresponding author. E-mail address: [email protected] (R.J. Saykal 1 Present address: Department of Chemistry, Massa ogy, Cambridge, MA 02139, United States. Many physical phenomena are affected by the intrinsic acidity/basicity of the free liquid water surface, yet it remains an active and controversial ...

The transmembrane ABC transporters P-glycoprotein (P-gp) and breast cancer resistance protein (BCRP) are widely recognized for their role in cancer multidrug resistance and absorption and distribution of compounds. Furthermore, they are linked to drug-drug interactions and toxicity. Nevertheless, due to their polyspecificity, a molecular understanding of the ligand-transporter interaction, whic...

Benchmark calculations of proton affinities and gas-phase basicities of molecules most relevant to biological phosphoryl transfer reactions are presented and compared with available experimental results. The accuracy of proton affinity and gas-phase basicity results obtained from several multi-level model chemistries (CBS-QB3, G3B3, and G3MP2B3) and density-functional quantum models (PBE0, B1B9...

In the present study, effect of inclusions characteristics changing on the formation of acicular ferrite in submerged arc welding of API5l-X65 low alloy steel was investigated. Three different welding fluxes with different chemical composition and basicity index of 0.72, 0.82 and 0.99, and two different welding heat inputs of 1.6 kJ / mm and 2.4 kJ / mm were used to create inclusions with diffe...

Abstract It is important to clarify the behavior of elements in reaction between molten CaO–SiO 2 –Fe t O–Al O 3 slag and liquid metal during remelting Cu scrap. To estimate desirable composition for retaining Sn metal, effects basicity concentrations Fe Al on SnO activity coefficient were investigated. Molten (with optional addition) was reacted with Pb–Sn alloy a pure crucible at 1573 K 5 h w...

Abstract Polyaluminium chloride (PAC) with different basicity is used as a coagulant in most drinking water treatment plants (WTP). The aluminium concentration PAC and its hydrolysis mechanism varied the of PAC. Incremental addition changes various physico-chemical properties turbidity removal mechanisms water. Water use beyond optimum dose without considering other aspects, including residual ...

Oxide-supported amine materials are widely known to be effective CO2 sorbents under simulated flue-gas and direct-air-capture conditions. Most work has focused on amine species loaded onto porous silica supports, though potential stability advantages may be offered through the use of porous alumina supports. Unlike silica materials, which are comparably inert, porous alumina materials can be tu...

The acid-base chemistry of a tetraprotic, ampholyte ACE inhibitor, lisinopril, was studied by different methods. Potentiometry in aqueous medium and a co-solvent technique in methanol-water mixtures as well as 1 H NMR-pH titration were applied for the highly precise measurement of protonation macroconstants. The log K values of lisinopril (at 25.0°C and 0.15 M ionic strength) were found: log K1...