Going Catherine C, Xia Zijie, Williams Evan R
Department of Chemistry, University of California, Berkeley, California 94720-1460, USA.
Analyst. 2015 Nov 7;140(21):7184-94. doi: 10.1039/c5an01710f.
The effectiveness of two new supercharging reagents for producing highly charged ions by electrospray ionization (ESI) from aqueous solutions in which proteins have native structures and reactivities were investigated. In aqueous solution, 2-thiophenone and 4-hydroxymethyl-1,3-dioxolan-2-one (HD) at a concentration of 2% by volume can increase the average charge of cytochrome c and myoglobin by up to 163%, resulting in even higher charge states than those that are produced from water/methanol/acid solutions in which these proteins are denatured. The greatest extent of supercharging occurs in pure water, but these supercharging reagents are also highly effective in aqueous solutions containing 200 mM ammonium acetate buffer commonly used in native mass spectrometry (MS). These reagents are less effective supercharging reagents than m-nitrobenzyl alcohol (m-NBA) and propylene carbonate (PC) when ions are formed from water/methanol/acid. The extent to which loss of the heme group from myoglobin occurs is related to the extent of supercharging. Results from guanidine melts of cytochrome c monitored with tryptophan fluorescence show that the supercharging reagents PC, sulfolane and HD are effective chemical denaturants in solution. These results provide additional evidence for the role of protein structural changes in the electrospray droplet as the primary mechanism for supercharging with these reagents in native MS. These results also demonstrate that for at least some proteins, the formation of highly charged ions from native MS is no longer a significant barrier for obtaining structural information using conventional tandem MS methods.
研究了两种新型增压试剂通过电喷雾电离(ESI)从蛋白质具有天然结构和反应活性的水溶液中产生高电荷离子的有效性。在水溶液中,体积浓度为2%的2-噻吩酮和4-羟甲基-1,3-二氧戊环-2-酮(HD)可使细胞色素c和肌红蛋白的平均电荷增加高达163%,从而产生比这些蛋白质在变性的水/甲醇/酸溶液中产生的电荷态更高的电荷态。最大程度的增压发生在纯水中,但这些增压试剂在天然质谱(MS)中常用的含有200 mM醋酸铵缓冲液的水溶液中也非常有效。当从水/甲醇/酸中形成离子时,这些试剂作为增压试剂的效果不如间硝基苄醇(m-NBA)和碳酸丙烯酯(PC)。肌红蛋白中血红素基团的丢失程度与增压程度有关。用色氨酸荧光监测细胞色素c的胍熔体结果表明,增压试剂PC、环丁砜和HD在溶液中是有效的化学变性剂。这些结果为蛋白质结构变化在电喷雾液滴中作为天然质谱中这些试剂增压的主要机制的作用提供了额外证据。这些结果还表明,对于至少一些蛋白质,从天然质谱中形成高电荷离子不再是使用传统串联质谱方法获取结构信息的重大障碍。