Hydration of acetic acid and acetate ion in water studied by 1D-RISM theory

Succinate-acetate permease from Citrobacter koseri is an anion channel that unidirectionally translocates acetate

“…With the exception of S4, abolishment of the hydrogen bonding at S1 through S3 via directed mutagenesis significantly decreased acetate conduction (Supplementary information, Figure S8), suggesting an essential role of hydrogen bonding at S1, S2, and S3 for acetate transport. S1 binds a partially dehydrated acetate S1 is the only acetate-binding site among the four that binds a partially dehydrated acetate 35,36 (i.e., an acetate ion that is less than fully hydrated with water molecules) (Figs. 3a, 4a; Supplementary information, Figures S7 and 9).…”

“…[49][50][51] Under physiological conditions, the hydration energy of an acetate anion is known to be 10 times higher than that of an acetic acid molecule, owing to the stronger hydrogen bonds formed between the anion and water molecule. 35,36,52 The ability of S1 at the cytoplasmic vestibule of the pathway to bind a partially dehydrated acetate anion creates a two-step dehydration process that has major energetic implications for the function of SatP_Ck. Considerably more energy would be required to fully dehydrate the substrate in a single step.…”

Water in the formation of biogenic minerals: Peeling away the hydration layers

“…This process was designed to concentrate the collagen well into the liquid crystalline regime, to mimic the structure and hydration state of collagen found in vivo (Giraudguille, 1989; Giraudguille, 1992; Wang et al, 2012). Due to various conditions for the preparation and ultimate mineralization of the collagen matrices the calculations for the amount of free water shown in Table 7 are presented as a range, based on conservative estimations that take into account the effect of acetic acid (Fedotova and Kruchinin, 2011), the dialyzing agent PEG 35kDa (Branca et al, 2002), and assuming the system reaches an osmotic equilibrium.…”

Synthesis and characterization of cationic colloidal unimolecular polymer (CUP) particles

“…Compared to the surface water density reported by Chen et al [15] for 111K-CO 2 − -CUP (1.0688 g/cc), the density of surface water on 94K-QUAT-CUP was lower, which could be attributed to the difference in the structure of water around the respective functional groups. It is reported in literature that about 3-6 water molecules can directly associate with each negatively charged carboxylate group via hydrogen bonds [48]. For QUAT-functionality, the water molecules form a cage-like structure around the QUAT-group via weaker dipole-dipole interaction and do not coordinate directly to the QUATgroup [43,49].…”