The Hydration of the Neurotransmitter Acetylcholine in Aqueous Solution

Hulme, Edward C.; Soper, A. K.; McLain, Sylvia E.; Finney, John

doi:10.1529/biophysj.106.089185

Cited by 43 publications

(36 citation statements)

References 41 publications

(72 reference statements)

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“…The absence of perturbation to the bulk water network in solutions also occurs with other large solute molecules at relatively high concentrations in aqueous solution such as tertbutyl alcohol, 37 which is a protein denaturing agent, 9 and the neurotransmitter acetylcholine. 22 Interestingly, this phenomenon was not observed in similar studies of glutamic acid where the addition of glutamate to solution resulted in a marked disruption to the bulk water structure even at concentrations lower than those measured here (1:28). 24 However, in the latter case, the solution contained Na + ions in addition to the glutamic acid, and spherical ions are well-known to have marked structuredisturbing properties on water.…”

Section: Resultscontrasting

confidence: 55%

Structure and Hydration of l-Proline in Aqueous Solutions

et al. 2007

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The structure and hydration of L-proline in aqueous solution have been investigated using a combination of neutron diffraction with isotopic substitution, empirical potential structure refinement modeling, and smallangle neutron scattering at three concentrations, 1:10, 1:15, and 1:20 proline/water mole ratios. In each solution the carboxylate oxygen atoms from proline accept less than two hydrogen bonds from the surrounding water solvent and the amine hydrogen atoms donate less than one hydrogen bond to the surrounding water molecules. The solute-solute radial distribution functions indicate relatively weak interactions between proline molecules, and significant clustering or aggregation of proline is absent at all these concentrations. The spatial density distributions for the hydration of the COO -group in proline show a similar shape to that found previously in L-glutamic acid in aqueous solution but with a reduced coordination number.

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Section: Resultscontrasting

confidence: 55%

Structure and Hydration of l-Proline in Aqueous Solutions

et al. 2007

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“…In both of these figures, this group is oriented such that one of the methyl carbon atoms is along the z-axis with the nitrogen at the origin. For both simulations, the nearest neighbor water molecules are predominately located between the -CH 3 group, with a higher density underneath this group, below the nitrogen -most clearly seen on the cut through projected onto the back panels in Figs as for the neurotransmitter acetylcholine in aqueous solution, 42 which gives rise to nearest neighbor water molecules which are oriented such that they are coordinated to the onium group via N + · · · Ow solvation interactions.…”

Section: Resultsmentioning

confidence: 98%

On the solvation of the phosphocholine headgroup in an aqueous propylene glycol solution

Rhys

al-Badri

Ziolek

et al. 2018

The Journal of Chemical Physics

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The atomic-scale structure of the phosphocholine (PC) headgroup in 30 mol% propylene glycol (PG) in aqueous solution has been investigated using a combination of neutron diffraction with isotopic substitution experiments and computer simulation techniques -Molecular Dynamics and Empirical Potential Structure Refinement. Here, the hydration of the PC headgroup remains largely intact compared with the hydration of this group in a bilayer and in a bulk water solution, with the PG molecules showing limited interactions with the headgroup. When direct PG interactions with PC do occur, they are most likely to coordinate to the N(CH 3 ) + 3 motifs. Further, PG does not affect the bulk water structure and the addition of PC does not perturb the PG-solvent interactions. This suggests that the reason why PG is able to penetrate into membranes easily is that it does not form stronghydrogen bonding or electrostatic interactions with the headgroup allowing it to easily move across the membrane barrier.

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“…This behavior is similar to what has been reported for both PC in bulk solution 31 and for acetylcholine in solution. 56 As opposed to previous work for the PC headgroup in aqueous solutions, within the bilayer, the headgroups are in much closer proximity to one another thus limiting solvent accessibility. Whilst the ceramide headgroup is confined to a relatively narrow range of z-values (Fig.…”

Section: E Hydration Of the Phosphatidylcholine Headgroupmentioning

confidence: 91%

Comparative atomic-scale hydration of the ceramide and phosphocholine headgroup in solution and bilayer environments

Gillams

Lorenz

McLain

2016

The Journal of Chemical Physics

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Previous studies have used neutron diffraction to elucidate the hydration of the ceramide and the phosphatidylcholine headgroup in solution. These solution studies provide bond-length resolution information on the system, but are limited to liquid samples. The work presented here investigates how the hydration of ceramide and phosphatidylcholine headgroups in a solution compares with that found in a lipid bilayer. This work shows that the hydration patterns seen in the solution samples provide valuable insight into the preferential location of hydrating water molecules in the bilayer. There are certain subtle differences in the distribution, which result from a combination of the lipid conformation and the lipid-lipid interactions within the bilayer environment. The lipid-lipid interactions in the bilayer will be dependent on the composition of the bilayer, whereas the restricted exploration of conformational space is likely to be applicable in all membrane environments. The generalized description of hydration gathered from the neutron diffraction studies thus provides good initial estimation for the hydration pattern, but this can be further refined for specific systems. Published by AIP Publishing. [http://dx

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The Hydration of the Neurotransmitter Acetylcholine in Aqueous Solution

Cited by 43 publications

References 41 publications

Structure and Hydration of l-Proline in Aqueous Solutions

Structure and Hydration of l-Proline in Aqueous Solutions

On the solvation of the phosphocholine headgroup in an aqueous propylene glycol solution

Comparative atomic-scale hydration of the ceramide and phosphocholine headgroup in solution and bilayer environments

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