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Development of 3-D quantum biomechanical models of a single particle movement through a channel and a single channel current

机译:单粒子通过通道和单通道电流运动的3-D量子生物力学模型的开发

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Quantum biomechanical models, based on three dimensional (3-D) steady state Schrodinger equations in a single particle system and in a time independent field, are developed to describe the movement of a particle (an ion or an ion group) in an approximately cuboidal tube-like channel and an approximately cylindrical tube-like channel and to describe a single channel current. The particle is assumed to travel in a longitudinal direction and to wave in transversal directions in the channels. Concepts of the effective constant height (V/sub 2/) and length (L/sub x/) of the potential energy barrier in the longitudinal direction, the effective height (L/sub y/) and width (L/sub z/) of the cuboidal channel and the effective radius (a) of the cylindrical channel in the transversal directions, are used in the models to obtain analytical solutions in mathematics. The models elucidate that: (1) A particle is free and trapped in an infinite deep potential energy well in the transversal directions while it penetrates the channels. The particle's transversal wave functions obey sinusoidal functions for the cuboidal channel and obey Bessel functions of the first kind with zero order for the cylindrical channel. The particle's transversal energies are discrete in the two groups of channel. The highest probability, a particle can be found in a cross section within the channels, is on or close to the longitudinal axis. (2) V/sub 2/ is mostly determined by the repulsion energy, which is produced by the electric interaction between a particle and a channel, V/sub 2//spl prop/1/L/sub y//sup /spl alpha// and V/sub 2//spl prop/1/L/sub z//sup /spl alpha// for the cuboidal channel and V/sub 2//spl prop/1/a/sup /spl alpha// for the cylindrical channel, where, /spl alpha/ is a coefficient of the interaction and /spl alpha/=1, 2, 3, 4, 5 or 6 depending on the category of the interaction. As an estimation, a single mini-K/sup +/ channel current may decrease 10,000 times from its open state to its close state, while the effective constant height of potential energy barrier (V/sub 2/) increases only 125% (from 0.2 eV to 0.45 eV) and the effective radius (a) decreases only 22% (/spl alpha/=4).
机译:基于单个粒子系统和时间独立场中的三维(3-D)稳态Schrodinger方程的量子生物力学模型被开发来描述粒子(一个离子或一个离子基团)在近似长方体中的运动管状通道和近似圆柱形的管状通道并描述单个通道的电流。假定粒子在通道中沿纵向传播并沿横向波动。势能垒在纵向上的有效恒定高度(V / sub 2 /)和长度(L / sub x /),有效高度(L / sub y /)和宽度(L / sub z /在模型中使用长方体形通道的)和横向方向上圆柱形通道的有效半径(a)来获得数学上的解析解。这些模型阐明:(1)粒子在穿过通道时是自由的,并在横向方向上被无限深的势能阱捕获。质点的横向波函数服从正弦函数,用于长方体通道,服从第一类贝塞尔函数,具有零阶,用于圆柱通道。粒子的横向能量在两组通道中是离散的。在通道内的横截面中,在纵轴上或接近纵轴的位置发现粒子的可能性最高。 (2)V / sub 2 /主要由排斥能量决定,该排斥能量是由粒子与通道之间的电相互作用产生的,V / sub 2 // spl prop / 1 / L / sub y // sup / spl alpha //和V / sub 2 // spl prop / 1 / L / sub z // sup / spl alpha //用于立方形通道,而V / sub 2 // spl prop / 1 / a / sup / spl alpha / /表示圆柱通道,其中/ spl alpha /是交互作用的系数,而/ spl alpha / = 1、2、3、4、5或6取决于交互作用的类别。据估计,单个mini-K / sup + /通道电流可能从其打开状态到关闭状态减少10,000倍,而势垒的有效恒定高度(V / sub 2 /)仅增加了125%(从0.2 eV至0.45 eV),有效半径(a)仅减小22%(/ spl alpha / = 4)。

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