title: [Computer module design of the parametric structure of water].
abstract: The algorithms of module design and the results of constructing the parametric structures of water were considered. The tetrahedral electron structure of the oxygen atom of water, which is a double symmetric donor and acceptor of protons, was taken as the main postulate. As opposed to the crystal lattices of diamond and ice, the hexacycle twist-bath was considered as the basic element of the original structure. A great variety of possible structures were obtained, which involve quasi-unidimensional (helices, rods), dendrite-like, ring-shaped, planar, and fractal structures, as well as combinatoric structures composed of these forms. The functions of distribution of valence angles in fractal structures optimized with respect to energy have two main maxima at 104 and 112 degrees, as differentiated from the starting ideal tetrahedral angle of 109.5 degrees. Changes in, and the accumulation of elastic energy of distortions of rod structure of different symmetry were analyzed. This energy can be utilized during the conformational changes of biopolymers. The substantial difference in the solubility of two anomeric forms of glucose is explained by a different degree of conformity of the glucose molecule structure to the structure of bound water.
authors.affiliation: Physical Department, Lomonosov Moscow State University, Vorob'evy Gory, Moscow, GSP-2, 119992 Russia.
authors.forename: V I
authors.initials: VI
authors.lastname: Lobyshev
authors.forename: A B
authors.initials: AB
authors.lastname: Soloveĭ
authors.forename: N A
authors.initials: NA
authors.lastname: Bul'enkov
mesh_terms: D003198:Computer Simulation; D008958:Models, Molecular; D015394:Molecular Structure; D014867:Water / Q000737:chemistry*
chemical_list: D014867:Water