The localized molecular orbital (LMO) theory is used to study the reaction mechanism of the isomerization reaction: H3PO→H2POH. The energy transition state (TS) of the reaction is also obtained by Powell’s mehtod us...The localized molecular orbital (LMO) theory is used to study the reaction mechanism of the isomerization reaction: H3PO→H2POH. The energy transition state (TS) of the reaction is also obtained by Powell’s mehtod using 6-31G basis set. The resluts show that the lone pair electrons of oxygen atom play an forortant role in this reaction.展开更多
文摘目的探讨成人非偏头痛症状与卵圆孔未闭(patent foramen ovale,PFO)的相关性。方法回顾分析我院心血管内科超声心动图室2024年2~12月经胸超声心动图右心声学造影(contrast transthoracic echocardiography,cTTE)检查患者的临床资料,根据症状分为偏头痛症状组(n=527)、非偏头痛症状组(包括不明原因的头晕、耳鸣、一过性听力减退、晕厥、肢体麻木、一过性视野缺损症状,n=144)和无症状对照组(n=87)。比较3组PFO阳性率、PFO阳性患者右向左分流(right to left shunt,RLS)的差异;多因素logistic回归分析PFO阳性的独立相关因素。结果偏头痛症状组、非偏头痛症状组和无症状对照组PFO阳性率分别为85.0%(448/527)、84.0%(121/144)和26.4%(23/87),3组差异有显著性(χ^(2)=153.434,P=0.000),偏头痛症状组和非偏头痛症状组PFO阳性率显著高于无症状对照组(均P=0.000)。592例诊断PFO,3组RLS分级差异有显著性(H=18.762,P=0.000),偏头痛症状组和非偏头痛症状组RLS分级显著高于无症状对照组(均P=0.000)。多因素logistic回归分析显示,年龄≤40岁(OR=2.221,95%CI:1.515~3.256,P=0.000)、偏头痛(OR=3.373,95%CI:2.322~4.899,P=0.000)、头晕(OR=2.499,95%CI:1.694~3.685,P=0.000)和肢体麻木(OR=1.981,95%CI:1.052~3.729,P=0.034)与PFO阳性独立相关。结论头晕、肢体麻木等非偏头痛症状与成人PFO相关,对这些症状的患者进行cTTE检查是必要的。
文摘The localized molecular orbital (LMO) theory is used to study the reaction mechanism of the isomerization reaction: H3PO→H2POH. The energy transition state (TS) of the reaction is also obtained by Powell’s mehtod using 6-31G basis set. The resluts show that the lone pair electrons of oxygen atom play an forortant role in this reaction.
