SIMULATIONS OF TEMPO & VO2+ SPIN LABELED DENDRIMERS
SIMULATIONS OF TEMPO & VO2+ SPIN LABELED DENDRIMERS
批准号:
6120640
负责人:
ERIK C WIENER
金额:
$0.27万
依托单位国家:
美国
项目类别:
财政年份:
1998
资助国家:
美国
项目状态:
已结题
起止时间:
1998-04-15 至 1999-11-30
中文摘要
VO和Tempol与所用树枝状聚合物结合的初步EPR谱
对于药物和造影剂的输送显示出显著的依赖性
温度。 为了提取更精确的旋转
相关时间或时间范围,计算机模拟必须
贯彻 先从慢和快适当的光谱参数
确定运动限制。 这些参数用于
正确分配动力学参数。 模拟程序已经
纠正和改进。 各向异性转动模型和跳跃
还使用扩散模型。
英文摘要
Preliminary EPR spectra of VO and Tempol bound to dendrimers used
for drug and contrast agent delivery have shown significant dependence
on temperature. In order to extract more precise rotational
correlation times or ranges of times, computer simulations must be
carried out. First proper spectral parameters from the slow and fast
motion limits are determined. These parameters are then used to
correctly assign dynamical parameters. Simulation programs have been
corrected and improved. Anisotropic rotational models and jump
diffusion models are also used.
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