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FDPB-based methods calculate the change in the pK a value of an amino acid side chain when that side chain is moved from a hypothetical fully solvated state to its position in the protein. To perform such a calculation, one needs theoretical methods that can calculate the effect of the protein interior on a p K a value, and knowledge of the pKa ...
Acid dissociation constants are also essential in aquatic chemistry and chemical oceanography, where the acidity of water plays a fundamental role. In living organisms, acid–base homeostasis and enzyme kinetics are dependent on the p K a values of the many acids and bases present in the cell and in the body.
Acid strength is the tendency of an acid, symbolised by the chemical formula, to dissociate into a proton, +, and an anion, .The dissociation or ionization of a strong acid in solution is effectively complete, except in its most concentrated solutions.
In chemistry and biochemistry, the Henderson–Hasselbalch equation = + ([] []) relates the pH of a chemical solution of a weak acid to the numerical value of the acid dissociation constant, K a, of acid and the ratio of the concentrations, [] [] of the acid and its conjugate base in an equilibrium.
The pKa of KHP is 5.4, so its pH buffering range would be 4.4 to 6.4; however, due to the presence of the second acidic group that bears the potassium ion, the first pKa also contributes to the buffering range well below pH 4.0, which is why KHP is a good choice for use as a reference standard for pH 4.00. [8] [9]
3-Hydroxypropionic acid is of interest as a bio-derived precursor to acrylic acid. [5]The polyester poly(3-hydroxypropionic acid) is a biodegradable polymer. [7] The method combines the high-molecular weight and control aspects of ring-opening polymerization with the commercial availability of the beta hydroxy acid, 3-hydroxypropionic acid which is abbreviated as 3-HP.
Tris is also used as a primary standard to standardize acid solutions for chemical analysis. Tris is used to increase permeability of cell membranes. [ 13 ] It is a component of the Moderna COVID-19 vaccine [ 14 ] and the Pfizer-BioNTech COVID-19 vaccine for use in children 5 through 11 years of age.
Jaguar is a computer software package used for ab initio quantum chemistry calculations for both gas and solution phases. [1] It is commercial software marketed by the company Schrödinger . The program was originated in research groups of Richard Friesner and William Goddard and was initially called PS-GVB (referring to the so-called ...