Abstract Semi-solid pharmaceutical forms, like topical and transdermal products, are widely used for medical purposes since they provide convenient and pain-free treatment for patients. In this study, two transdermal gel formulations with different active pharmaceutical ingredients were analyzed with near-infrared spectrophotometers with three distinct optical arrangements (dispersive, Fourier transform, and diode-array spectrophotometers) for the measurement of active pharmaceutical ingredient concentration. The reference concentrations were measured with high-performance liquid chromatography methods. The developing of calibration for reference concentrations based on near-infrared spectra was performed using partial least squares regression. The spectra from near-infrared spectrophotometer with diode-array optical arrangement presented the best root mean square error of cross-validation results with 0.045% and 0.144% for the two active pharmaceutical ingredients. The root mean square error of cross-validation using dispersive spectra were 0.125% and 0.193% and using Fourier transform spectra were 0.130% and 0.344% for the active pharmaceutical ingredients. The results of partial least squares regression were confirmed using simulated spectra based on the measured datasets. Near-infrared spectroscopy can be used successfully for the quantitative measurement of active pharmaceutical ingredient concentration in transdermal gel formulations. The type of optical arrangements of spectrophotometers can influence the performance of calibrations and have to be optimized case by case.

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基于近红外光谱的定量测定透皮凝胶制剂中活性药物成分的方法

摘要 半固体药物形式，如局部和透皮产品，广泛用于医疗目的，因为它们为患者提供方便和无痛的治疗。在这项研究中，使用具有三种不同光学排列（色散、傅立叶变换和二极管阵列分光光度计）的近红外分光光度计分析了两种具有不同活性药物成分的透皮凝胶制剂，以测量活性药物成分的浓度。参考浓度是用高效液相色谱法测量的。使用偏最小二乘回归进行基于近红外光谱的参考浓度校准的开发。具有二极管阵列光学排列的近红外分光光度计的光谱显示了交叉验证结果的最佳均方根误差，两种活性药物成分分别为 0.045% 和 0.144%。对于活性药物成分，使用色散光谱进行交叉验证的均方根误差为 0.125% 和 0.193%，使用傅立叶变换光谱的均方根误差为 0.130% 和 0.344%。使用基于测量数据集的模拟光谱证实了偏最小二乘回归的结果。近红外光谱可成功用于定量测量透皮凝胶制剂中的活性药物成分浓度。分光光度计的光学布置类型会影响校准的性能，必须逐案优化。