A new algorithm has been suggested for construction of acidity functions enabling simultaneous and independent construction of acidity functions in various media under the condition of equal values of pKa of the same indicators in the given media. The so-called interconnected acidity functions have ...
A Comparative Study of Molecular Structure, pKa, Lipophilicity, Solubility, Absorption and Polar Surface Area of Some Antiplatelet Drugs of the molecular structure, lipophilicity, solubility, acidity, absorption and polar surface area of coumarinic anticoagulants and direct thrombin inhibitors. RS... R ...
«Reply #2 on:October 23, 2017, 04:41:29 PM » For some examples in acid base chemistry I wonder if it's possible to predict based on first principles. For example here there is the destabilizing effect of charge weighing against resonance stabilization and maybe differing bond strength...
A new set of AMBER* parameters for proline-containing peptides is reported based on the results of high level ab initio calculations for a model proline di... DQ Mcdonald,WC Still - 《Journal of Organic Chemistry》 被引量: 159发表: 1996年 Displacement of norbornadiene (NBD) from Pt(...
In addition, we observed three thermodynamically different mechanisms of pKa alteration. Therefore, more studies are needed to bring closer the promising perspective of a programmable acidity's tuning. Our methodology was based on capillary electrophoresis (CE) applied in two parallel variants: a ...
Rank the following molecules 1-4 based on the rank in decreasing acidity. (1 = least acidic, 4 = most acidic).Rank the following compounds in order of decreasing acidity: [Table] a) III > I > II > IV > V b) I > III > IV > II > V c) III ...
2a). Based on these findings, we expected that the mutations do not abolish the overall complex I function, but rather induce smaller functional changes in complex I, likely connected with proton translocation, leading to the observed increase in persistence. Fig. 2: High persistence-conferring ...
Equilibrium of CO 2, HCO 3 -, CO 3 2- CO 2 (aq) + H 2 O H 2 CO 3 H + + HCO 3 - 2H + + CO 3 2- CO 2 (g) pH pK a = 6.3 pK a = ppm M pH = pKa + log ([A - ] / [AH]) When reaction is 99% to the left then pH= log (1/100) = pH= 4.3 ...
The FPMD-based vertical energy gap method was also applied to calculate the acidity constants 104 of oxythioarsenites. According to the calculated pKa values, the speciation distributions versus pH were 105 derived over the investigated temperature range. Furthermore, the structures of H2AsO2S–-M...
A novel approach to the development of acidity and alkalinity field tests, based on length of stain detectors, is discussed. The detectors consist of glass... Michael,Tsionsky,Ovadia,... - 《Analyst》 被引量: 7发表: 1993年 Qualidade de frutos de tomate da cv. Santa Clara, mutante de fr...