pH and pKa are two important values used when talking about acid-base chemistry and it can be hard to distinguish the two. pH is the negative log of the concentration of hydrogen ions in a solution, pH=−log[H+]. The pH of a system is a value that is measured and can change depe...
The acrylic and benzoic acids and the sulfonamides can be treated together and yield an excellent linear correlation ( r 2 > 0.95 ) with an RMSD of only ~0.3. The slope is found to be significantly smaller than the theoretical value ( 1 / RT ln 10 ), only 45% of it, which is in...
pKa of Acids & Functional Groups | Overview & Examples from Chapter 13/ Lesson 7 41K Explore the concepts of pKa and pH values and how they relate to acids and bases. Learn the trends in pKa value for functional groups, acids, and bases with examples. ...
In terms of correlation coefficients, the maternal breasting feeding evaluation scale measured 0.569, the breastfeeding self-efficacy short-form scale 0.674, and the third scale's value was also calculated.Within six weeks of childbirth, a newly developed 36-item scale measuring mothers' breast...
with an initial RMSE of 1.77 pKa units (ryzue) that could be improved to 1.40 by including a standard state cor- rection and a different value for the free energy of the proton, the authors also showed the effectiveness of a simple linear regression scheme to correct the raw acidity consta...
Only one value was determined experimentally for CEF (2.68 ± 0.05), which was associated to the carboxylic acid group deprotonation. For CEPA two values were obtained experimentally: 2.74 ± 0.01 for the carboxylic acid deprotonation and 5.13 ± 0.01 for the pyridinium ring deprotonation. In ...
Carboxylic acids have a low pKa due to resonant structures, and it can be lowered more through the inductive effect. Is a high pKa acidic or basic? A large pKa value usually means that a molecule is basic. A solution is neutral at a pH 7, so pKas higher than that are in basic ...
Therefore, the LUMO energy (−3.54 eV), HOMO energy (−5.95), and the gap value below 3 eV, Bd, can become an electron acceptor; see Figure 3. Electronegativity indicates that the electron density of the system can vary. The calculated electronegativity value indicates that Bd can ...
A high value of polar surface area (PSA) of cangrelor (255 Å2) results in substantial worsening of the absorption in comparison with thienopyridine drugs. Keywords: antiplatelet agents; molecular structure; solvent effect; pKa; lipophilicity; solubility; absorption; polar surface area Graphical ...