Aquaporin channel-forming integral protein (CHIP) is the first characterized water channel protein (genome symbol AQP1), but the molecular structure of the aqueous pathway through CHIP remains undefined. The two halves of CHIP are sequence-related, and each has three bilayer-spanning domains with ...
Aquaporin channel-forming integral protein (CHIP) is the first characterized water channel protein (genome symbol AQP1), but the molecular structure of the aqueous pathway through CHIP remains undefined. The two halves of CHIP are sequence-related, and each has three bilayer-spanning domains with ...
We report the results on the structure of the binary dense CO2−water interface at 20 MPa and 318 and 338 K and 28 MPa and 318 K, as investigated by molecular dynamics computer simulations. Realistic potential models are used to describe the interactions, and the Ewald summation technique is...
Water ice crystals inherently embed in their shape complex hexagonal structures, emerging mostly due to the O-H bond angle 104.5 degrees being close to the 120 degrees found in hexagons. This article explores the possible integration of water molecules into a recently published mathematical ...
The uniqueness of water comes from its molecular structure. Because it is a polar covalent molecule, it has a slight positive and slight negative charge on opposite ends. Examine the illustrationWater moleculeand note two important characteristics. First, notice the location of the slight positive ...
Most often the chemical analysis is performed on a fraction that extracts in organic solvents such as benzene, ether or hexane; consequently, information on the molecular composition of the water-soluble fraction is particularly sparse and incomplete. This paper investigates theoretically the ...
This paper reports a molecular dynamics study of the structure of water around Li+, Na+, K+, Ca++, Ni++ and Cl- ions. Jorgensen's TIP4P potential is used for the water-water interaction, and new ab initio SCF potentials have been obtained for Ca++/H2O and Ni++/H2O using the rece...
We have studied structural and dynamic properties of water confined between hydrophobic alkanethiol self-assembled monolayers (SAMs) using molecular-dynamics simulations. After quantifying the hydrophobic nature of the SAM surfaces via contact-angle calculations involving water droplets, we analyze the effect...
Studies of the correlation of the denaturation temperature of DNA with the structure of water and D2O were measured by the chemical shift of the hydroxyl proton resonance. If the chemical shift in sodium perchlorate solutions is divided into a contribution from the Na+ and a contribution from the...
on the water molecular structure expressed as the equivalent effect of temperature in degrees of Celsius. The temperature-based aquagrams showed the well-known structure breaking and structure making effects of salts on water spectral pattern, for the first time presented in the terms of temperature...