Uv Spectra Of The Database Structure And A Preliminary Study

Because UV detector is the mostly used detector of HPLC, and because the UV spectrum it generates can be used for indicating the conjugated structure of the molecule, it's very important for data mining. But usual works on UV spectrum is so trivial that we cannot take full advantage of it. So, in this article, we build up a database aimed at the TCM LC analysis. On the base of this database, we can search a certain spectrum, which is mostly alike with the one we input, in the database by employing some arithmetic such as similarity computing and pattern recognition. We have built up a database for UV absorbance information of compounds. Also we can deduce the structure of the compound from its absorbance spectrum. And we developed a program to employ Woodward-Fieser's law in calculating the UV absorbance wavelength of a compound from its structure.In this article, we have built up the database for UV spectrum and its UV absorbance wavelength using Borland C++ Builder 6 and Microsoft SQL Server 7. And we've collected more than 1,100 spectrums, which are most common in TCM analysis. Some common functions such as input, output, edit and so force are been developed also. This is a fully functional database system.In this article, we have analyzed the essential oil in Chinese herbal6drug Danggui (RADIX ANGELICA SINENSIS ) by means of GC. Through the analyzing the data and chromatography, we have discussed the possibility of fingerprint in TCM quality controlling by using the similarity arithmetic.