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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。
According to the distribution curve of sulfamethoxazole aqueous solution with pH changes and its absorption spectrum to form a two-dimensional spectral matrix, the ITTFA method was used without any mathematical model to obtain the drug solution Pure body spectrum and acidity distribution curve. The initial iteration vector is constructed based on the principle of different body absorption points to ensure that the ITTFA method can quickly converge on the correct unique solution. The relative distribution curve resolved by ITTFA method can be standardized by least squares regression according to the principle of mass balance to obtain a true distribution curve consistent with the actual situation and further to solve the two-step method based on the nonlinear least squares-parameter optimization method Acid dissociation constant.