二维反式氢磷相关脉冲序列设计及在含磷化学毒剂分析中的应用

摘要

Combined pulsed-field gradient, shaped pulses, and product operator calculations (algorithm), two-dimensional 1 H-31 P hetero-nuclear multiple quantum coherence ( HMQC) pulse sequence was established with the aid of C language. The result showed that coherent transfer path selection could be achieved by adjusting the ratio of two gradient strength ( g1 , g2 ) . The best ratio of g1 and g2 was -5:4 . The HMQC method based on the above sequence can be used for identifying the alkyl groups coupling with phosphorous nucleus. For the different alkyl groups, the sensitivity of this method decreased in the order methyl>isopropyl>ethyl>propyl. The limit of detection was about 10 mg/L. This method can be directly used for the screening and identification of phosphorus chemical warfare agents and related compounds.%结合反式异核相关积算符计算、脉冲梯度场和相循环设计,利用C语言实现了二维氢磷异核多量子相关(1H-31PHMQC)脉冲序列。计算结果表明,当两个梯度强度(g1,g2)比例为(-5：4)时,可以实现氢磷相干转移路径的选择。以此序列为基础,建立了准确鉴定低浓度样品中与磷核耦合的烷基信息的HMQC方法,灵敏度依次为甲基>异丙基>乙基>丙基,方法检出限为10 mg/L,可直接用于含磷化学毒剂及其相关化合物的筛选和鉴定。