STRUCT OF INTERACTION DOMAIN OF E COLI RNA POLYMERASE CORE & SIGMA70 SUBUNITS

摘要阿特拉津是我国重要的农用除草剂。 玉米和高粱的种植。这项实验是为了研究 协同氢键和氢键势 CF3标记的阿特拉津。开发了一种非线性优化程序。 从核磁共振化学中求阿特拉津的二聚化常数 它的四个NH质子的位移。NH质子确定了四个活性 通过合作关联进行成对交互的站点，形成 总共有10个氢键二聚体。假设每个活动站点 有一个与其化学势有关的偏二聚化常数， 部分常量被用来建立符合 化学位移数据到合作二聚化模型。不完整的 将二聚常数成对相乘，得到 10个阿特拉津二聚体中每一个的二聚化常数。我们将奔跑 CF3-阿特拉津在CCl4中的~(19)F-核磁共振(5 mm管) 有机络合剂的浓度从0.71 mM到4.5 mM： 醋酸(HoAc)、吡咯烷(CNH)、环戊酮(CP)、吡咯 (PYRR)、二甲亚砜(DMSO)、丙酮(ACE)、苯酚(Phen)、 乙醇(Etoh)和乙酸甲酯(MEAC)。

Atrazine is an important agriculture herbicide for weed control in the cultivation of corn and sorghum. This experiment is to study the cooperative hydrogen bonding and hydrogen bonding potential of CF3-labeled atrazine. A nonlinear optimization procedure is developed to find the dimerization constants of atrazine from the NMR chemical shifts of four of its NH protons. The NH protons identify four active sites which interact pairwise by cooperative association to form a total of 10 hydrogen-bonded dimers. Each active site is assumed to have a partial dimerization constant related its chemical potential, and the partial constants are used to develop equations which fit the chemical shift data to a cooperative dimerization model. The partial dimerization constants are multiplied together pairwise to obtain the dimerization constant for each of the 10 atrazine dimers. We will run 19F-NMR (5mm Tube) of CF3-atrazine in CCl4 containing the following organic complexing agents at concentrations from 0.71 mM to 4.5 mM: acetic acid (HOAC), pyrrolidine (CNH), cyclopentanone (CP), pyrrole (PYRR), dimethyl sulfoxide (DMSO), acetone (ACE), phenol (PHEN), ethanol (EtOH), and methyl acetate (MEAC).