Institute of Environmental Research, University of Dortmund, Otto-Hahn-Strasse 6, 44221 Dortmund, Germany.
Talanta. 2011 Oct 15;85(5):2562-75. doi: 10.1016/j.talanta.2011.08.008. Epub 2011 Aug 12.
The identification and quantitative determination of sulfonamidesin solid-state as n-component mixtures is performed. The limits of detection (LODs), accuracy, precision and repeatability are obtained and discussed, using the Raman spectra within 200-30 cm(-1) region (6.00-0.9 THz). The excitations, corresponding to H-bonding deformations, lattice vibrations, as well as coupling modes are used for determination. The validation of the statistical and mathematical tools for procedure of the spectroscopic patterns is performed. The possibilities of baseline correction methods, smoothing procedures, and non-linear curve fitting method for quantitative analysis within THz-region for complex spectroscopic patterns of n-component mixtures (n=1-5) are discussed. The hybrid HPLC tandem mass spectrometry (MS/MS) and powder XRD are applied as independent physical methods for analysis of the studied systems.
采用拉曼光谱在 200-30 cm(-1) 区域（6.00-0.9 THz）内，对固态 n 组分混合物中的磺胺类物质进行了识别和定量测定。讨论了检测限（LOD）、准确性、精密度和重复性，所采用的激发方式对应氢键变形、晶格振动以及耦合模式。对光谱模式的统计和数学工具的验证进行了分析。讨论了在复杂的 n 组分混合物（n=1-5）的太赫兹区域光谱模式中，用于定量分析的基线校正方法、平滑处理和非线性曲线拟合方法的可能性。应用高效液相色谱串联质谱（MS/MS）和粉末 XRD 作为分析所研究体系的独立物理方法。
