Track topics on Twitter Track topics that are important to you
Most protein molecules do not adsorb onto ice, one of the exceptions being so-called antifreeze proteins. In this paper, we describe that there is a force pushing an antifreeze protein molecule away from the ice surface when it is not oriented with its ice-binding plane toward the ice and that this pushing force may be also present even when the protein is oriented with its ice-binding plane toward the ice. This force is absent only when certain specific distance criteria are met, regarding the surface of ice and the protein. It acts at early stages of adsorption, prior to the solidification of water between the ice and the protein molecule nearby. We propose the water-originating mechanism of the generation of this force and also the mechanism of remote attachment of an antifreeze molecule to the ice surface. In liquid water, there exist locally favored structures, ordered and of high specific volume. The presence of a protein molecule usually shifts the equilibrium that exists in liquid water toward increasing the number of high-density, disordered structures and diminishing the number of low-density structures. Creation of the locally favored structures may be hampered not only near the non-ice-binding surfaces but also between the ice surface and the protein surface, if the distance between these surfaces does not allow these structures to develop because the available space is not sufficient for their proper formation. This conclusion is supported by the analysis of the mean geometry of a single hydrogen bond, as well as of the hydrogen bond network in the solvation layer and a structural order parameter that characterizes the separation between the first and second solvation shells of a water molecule.
This article was published in the following journal.
Name: The journal of physical chemistry. B
Several types of natural molecules interact specifically with ice crystals. Small antifreeze proteins (AFP) adsorb to particular facets of ice crystals thus inhibiting their growth, while larger ice-n...
An approach to overcome the limited time and spatial scales in molecular dynamics (MD) simulations is to reduce the number of degrees of freedom in the system through coarse-graining. In hybrid atomis...
Solvation by water plays an important role in the functional dynamics of biomacromolecules such as proteins or nucleic acids. This suggests that changes in solvation might drastically affect their fun...
The water and carbon cycles are tightly linked and play a key role in the material and energy flows between terrestrial ecosystems and the atmosphere, but the interactions of water and carbon cycles a...
This study investigates the role of hydration and its relationship to the conformational equilibrium of the host molecule β-cyclodextrin. Molecular dynamics simulations indicate that the unbound β-c...
This pilot study is designed to address feasibility for a larger randomized control clinical study that will determine the efficacy of exposure to the MindfulGarden - an interactive digita...
Analysis of kinetics of phosphatidylcholine and specific surfactant proteins, total body water and water turnover in patients with acute respiratory distress syndrome (ARDS) and in intensi...
This study involves research using human subjects (cardiac surgical patients) to evaluate the effect of remote ischemic preconditioning cardioprotective outcomes. Remote ischemic precondit...
Fusarium are microscopic filamentous fungi that live as saprobiontics in outside environments. They are found in the soil, the air, in water and on numerous plants. The frequency of fusari...
The primary objective is to determine whether comprehensive remote follow-up in HF patients with CRT will reduce the combined endpoint of all-cause mortality or worsening heart failure hos...
A subclass of ANTIFREEZE PROTEINS that have a cystine-rich globular structure of approximately 14 kD.
A subclass of ANTIFREEZE PROTEINS that are globular, 6.5 kDa in size and contain compact beta-sheet structures.
A subclass of ANTIFREEZE PROTEINS that contain four amphipathic alpha-helices folded into an antiparallel helix bundle.
A subclass of ANTIFREEZE PROTEINS that are 3-5 kDa in size and contain a single alanine-rich amphipathic alpha-helix.
Proteins that bind to ice and modify the growth of ice crystals. They perform a cryoprotective role in a variety of organisms.
Within medicine, nutrition (the study of food and the effect of its components on the body) has many different roles. Appropriate nutrition can help prevent certain diseases, or treat others. In critically ill patients, artificial feeding by tubes need t...