【摘要】 根据药物磺胺甲基异(口恶)唑水溶液随pH 值变化的分布曲线并结合其吸收光谱构成二维波谱矩阵,在无需数学模型的前提下,利用ITTFA 方法对其进行解析,获得该药物各型体的纯光谱和酸度分布曲线。基于各型体等吸收点原理构造初始迭代矢量,确保ITTFA 法能快速收敛于正确的唯一解。ITTFA 法解析出的相对分布曲线可根据质量平衡原理用最小二乘回归进行标准化,从而获得与实际情况一致的真实分布曲线,并进一步基于非线性最小二乘-参数优化法求解该药物的两步酸离解常数。更多还原

【Abstract】 Based on the two-dimensional matrix which consists of the absorption spectra and distribution curves of species along with thepH values,the pure spectrum and acidity distribution curve of the medicine Sulphamethoxazole’s(SMZ)species were obtained by Iter-ative Target Transformation Factor Analysis(ITTFA)algorithm which was a non-modeling method.The initial vectors can be construc-ted based on the isoabsorptive points of the different species of the SMZ to ensure that ITTFA can converge to the real solution accurate-ly and rapidly.The distribution curve computed by ITTFA can be scaled with least square regression based on the mass equilibrium,then the real distribution curve were obtained.Further the two-step acid dissociation constant can be attained base on nonlinear leastsquare-parameter optimization method.更多还原