Lobyshev V I, Soloveĭ A B, Bul'enkov N A
Physical Department, Lomonosov Moscow State University, Vorob'evy Gory, Moscow, GSP-2, 119992 Russia.
Biofizika. 2003 Nov-Dec;48(6):1011-21.
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.
考虑了模块设计算法以及构建水的参数结构的结果。水的氧原子的四面体电子结构被视为主要假设，该结构是质子的双对称供体和受体。与金刚石和冰的晶格不同，六元环扭曲浴被视为原始结构的基本元素。获得了各种各样可能的结构，包括准一维（螺旋、棒状）、树枝状、环状、平面和分形结构，以及由这些形式组成的组合结构。相对于能量优化的分形结构中价角分布函数在104度和112度处有两个主要最大值，这与起始理想四面体角109.5度不同。分析了不同对称性棒状结构的弹性畸变能的变化和积累。这种能量可在生物聚合物的构象变化过程中被利用。葡萄糖两种异头物形式溶解度的显著差异是由葡萄糖分子结构与结合水结构的不同程度的契合度来解释的。
