At this distance the ion is completely solvated by reservoir water and interaction with the channel is very weak. |
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Solute molecules were solvated using a box of TIP3P water molecules with periodic boundary conditions. |
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In the first system, the phospholipid molecules were solvated by 6560 SPC water molecules. |
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The hydrated protein-lipid system was solvated in a water bath including chloride and sodium ions at physiological concentration. |
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In each simulation, the initial ion was solvated in a system of 216 waters. |
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We previously observed the same rate of scavenging of solvated electrons by protons in ultrafast experiments on indole under conditions of comparable ionic strength. |
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In addition, in protic hydrogen-bonding solvents such as water and alcohols, sulfur is more weakly solvated than lighter heteroatoms. |
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In the crown-ether complex, the metal ion fits into the cavity of the crown ether and is solvated by the oxygen atoms. |
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Bioavailability studies have been conducted demonstrating the equivalence of the hydrated and solvated forms of the drug substance. |
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In fact, it is still unclear if the superoxide anion is formed through peroxy radicals or through a reaction between solvated electron and molecular oxygen. |
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The solvated systems were then equilibrated with standard protocols. |
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The adatoms therefore attract solvent molecules, and the species is partially solvated. |
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One of the more successful attempts is based on the idea that the ions are solvated, which means that every ion is surrounded by a tight-fitting shell of solvent molecules. |
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Unsolvated and the various solvated forms of the same active moiety are generally considered identical, provided the solvate content is within acceptable levels. |
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Creating the solvated phase by adding ca 370-390 passive equilibrated water molecules to the box results in a rather typical ratio of the water and solute atoms. |
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The concentration gradient is determined by the current density, the active anodic area size and the solvated metallization ions' diffusion velocity. |
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