Infrared spectra and molar absorption coefficients of the 20 alpha amino acids in aqueous solutions in the spectral range from 1800 to 500 cm(-1).
Infrared spectra and molar absorption coefficients of the 20 alpha amino acids in aqueous solutions in the spectral range from 1800 to 500 cm(-1).
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DOI：
10.1016/j.saa.2005.08.025
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发表时间：
2006-07
期刊：
影响因子：
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通讯作者：
M. Wolpert;P. Hellwig
中科院分区：
文献类型：
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作者：
M. Wolpert;P. Hellwig
在本工作中，我们给出了所有20种氨基酸在水溶液中的吸收光谱和摩尔系数，其范围可达500 cm−~1。对于蛋白质红外光谱而言，在1200~500 cm−~1之间的光谱区域尚未被忽略，这主要是由于其对H2O的强吸收。主要获得了生理相关的pH区的吸收光谱。在给定的光谱范围内，可以清楚地识别芳香族氨基酸、组氨酸等带有OH基团的强谱带。含硫氨基酸半胱氨酸和蛋氨酸除了有较弱的碳-硫伸缩振动外，还出现了较强的谱带。讨论了水溶液环境、pH、质子化状态的影响，以及以前报道的理论方法的数据。有了这套完整的光谱信息，可以准确地描述整个中红外区域对蛋白质的应用，并显示出较低光谱区域研究典型辅因子配体如组氨酸的潜力。
In this work, we present the absorption spectra and molar coefficients of all 20 amino acids in aqueous solutions down to 500cm−1. The spectral region between 1200 and 500cm−1was yet disregarded for protein infrared spectroscopy, mainly due to the strong H2O absorption. Absorption spectra were obtained mainly for physiological relevant pH region. Intense bands for aromatic amino acids, histidine and such with OH group could clearly be identified throughout the given spectral region. For sulfur-containing amino acids cysteine and methionine some strong bands besides the weak carbon–sulfur stretching vibration was shown. Effects of aqueous solution environment, pH, protonation states were discussed, together with previously reported data from theoretical approaches. With this complete set of spectral information application to proteins in the whole mid infrared region could be described precise and the potential of the lower spectral region to study typical cofactor ligands like histidine, shown.