パーソナルコンピュータを用いたSavitzky-Golay法による紫外・可視吸光スペクトルの二次微分スペクトル

概要

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A personal computer (NEC PC-8001) based spectral data acquisition system was constituted and a BASIC program to calculate the second derivative spectra by Savitzky-Golay method was composed. The analogue output from a recorder output terminal of a spectrophotometer was acquired through an analogue-to-digital converter of 12-bit and the sampling rate, i.e., the acquisition interval was controlled by a programable interrupt routine provided in a peripheral I/O unit (PC-8013). The acquisition with the interval of 125ms corresponded to four data points per 1 nm at the scan speed of 120 nm/min. The absorption spectra of a didymium filter and a salicylic acid in ethanol solution were measured as samples for sharp and broad peaks respectively. Their second derivative spectra were calculated on the program by using two kinds of 17 points-convolution integers derived from approximations to polynomials of the third and fifth degree. The second derivative signal shapes did not show considerable large differences between the third and fifth degree in both samples. However, the signal-to-noise ratios were appreciably better in the third degree than in the fifth.
公益社団法人日本薬学会の論文
1985-02-25