Computational study on the mechanism and kinetics for the reaction between HO2 and n-propyl peroxy radical

The n-propyl peroxy radical (n-C₃H₇O₂) is the key intermediate during atmospheric oxidation of propane (C₃H₈) which plays an important role in the carbon and nitrogen cycles in the troposphere. In this paper, a comprehensive theoretical study on the reaction mechanism and kinetics of the reaction between HO₂ and n-C₃H₇O₂ was performed at the CCSD(T)/aug-cc-pVDZ//B3LYP/6-311G(d,p) level of theory. Computational results show that the HO₂ + n-C₃H₇O₂ reaction proceeds on both singlet and triplet potential energy surfaces (PESs). From an energetic point of view, the formation of C₃H₇O₂H and ³O₂via triplet hydrogen abstraction is the most favorable channel while other product channels are negligible. In addition, the calculated rate constants for the title reaction over the temperature range of 238–398 K were calculated by the multiconformer transition state theory (MC-TST), and the calculated rate constants show a negative temperature dependence. The contributions of the other four reaction channels to the total rate constant are negligible.

The negative temperature dependence for the HO₂ + n-C₃H₇O₂ reaction in lower temperature regime.     

归因训练对老年性抑郁症康复的疗效观察

目的探讨归因训练对老年性抑郁症的增效作用。方法将老年抑郁症患者58例,随机分为归因训练合并西酞普兰组（研究组）和单纯西酞普兰组（对照组）,进行对照研究,采用汉密顿抑郁量表（HAMD）和临床疗效总评量表（CGISI）于治疗前及治疗后6周末、半年末,进行评分比较。结果治疗6周末研究组同对照组评分比较有显著性差异（P〈0．01）。治疗半年末,研究组和治疗6周末同组比较有显著性差异（P〈0．01）,而对照组无显著性差异（P〉0．05）。两组半年未复发率比较有显著性差异（X^2=6．44,P〈0．05）。结论归因训练能提高老年性抑郁症的近期和远期疗效,降低复发率。     

Association of IMMP2L deletions with autism spectrum disorder: A trio family study and meta‐analysis

IMMP2L, the gene encoding the inner mitochondrial membrane peptidase subunit 2‐like protein, has been reported as a candidate gene for Tourette syndrome, autism spectrum disorder (ASD) and additional neurodevelopmental disorders. Here we genotyped 100 trio families with an index proband with autism spectrum disorder in Han Chinese population and found three cases with rare exonic IMMP2L deletions. We have conducted a comprehensive meta‐analysis to quantify the association of IMMP2L deletions with ASD using 5,568 cases and 10,279 controls. While the IMMP2L deletions carried non‐recurrent breakpoints, in contrast to previous reports, our meta‐analysis found no evidence of association (P > 0.05) between IMMP2L deletions and ASD. We also observed common exonic deletions impacting IMMP2L in a separate control (5,971 samples) cohort where subjects were screened for psychiatric conditions. This is the first systematic review and meta‐analysis regarding the effect of IMMP2L deletions on ASD, but further investigations in different populations, especially Chinese population may be still needed to confirm our results.     

Association of KIR Genotypes and Haplotypes with Susceptibility to Chronic Hepatitis B Virus Infection in Chinese Han Population

Killer immunoglobulin-like receptor （KIR） genes can regulate the activation of NK and T cells upon interaction with HLA class I molecules. Hepatitis B virus （HBV） infection has been regarded as a multi-factorial disorder disease. Previous studies revealed that KIRs were involved in HCV and HIV infection or clearance. The aim of this study was to explore the possibility of the inheritance of KIR genotypes and haplotypes as a candidate for susceptibility to persistent HBV infection or HBV clearance. The sequence specific primer polymerase chain reaction （SSP-PCR） was employed to identify the KIR genes and pseudogenes in 150 chronic hepatitis B （CHB） patients, 251 spontaneously recovered （SR） controls, and 412 healthy controls. The frequencies of genotype G7 M, FZ1 increased in CHB patients compared with healthy control subjects. The frequency of genotype AH was higher in SR controls than that in both CHB patients and healthy controls. The carriage frequencies of genotype G and AH were higher; while, the frequencies of AF and AJ were lower in SR controls than those in healthy control subjects. The frequency of A haplotype was lower, whereas, the frequency of B haplotype was higher in CHB patients and SR controls than those in healthy controls. In healthy controls, haplotype 4 was found lower compared with that in CHB patients and SR controls and the frequency of haplotype 5 was higher in SR controls than that in other two groups. Based on these findings, it seems that the genotypes M and FZ1 are HBV susceptive genotypes; AH, on the other hand, may be protective genotypes that facilitate the clearance of HBV. It appears that the haplotype 4 is HBV susceptive haplotype, whereas, haplotype 5 may be the protective haplotype that facilitates the clearance of HBV. Cellular ＆ Molecular Immunology. 2008;5（6）：457-463.     

颈动脉窦粥样硬化与冠状动脉粥样硬化程度的相关性

背景:颈动脉内中膜厚度可用作冠状动脉粥样硬化的替代指标,但它与冠状动脉事件的关系尚未得到充分研究。目的:探讨颈动脉内中膜厚度在预测冠状动脉粥样硬化性心脏病及其程度中的价值。设计:病例分析。单位:解放军总医院心内科。对象:实验于2000-01/2002-01在解放军总医院完成。将285例可疑冠状动脉粥样硬化性心脏病患者按造影结果分为0支组,1支组,2支组,3支组4组,年龄33～74岁,平均(54.48±9.44)岁,其中男164例,女121例。方法:①测量体质量、身高,计算体质量指数(BMI)=体质量(kg)/身高(m)2。②测量卧位左臂血压。③采静脉血检测血脂。④用高分辨率B型超声,10MHz线性探头检测颈总动脉,颈内动脉,颈外动脉和颈动脉窦。将颈动脉内中膜厚度≥1.0mm定义为颈动脉粥样硬化。用标准的Judkins技术作冠状动脉造影。根据管腔狭窄≥50%的病变血管支数将冠状动脉粥样硬化性心脏病的程度记录为0,1,2,3。左主干狭窄≥50%定义为2支病变,左主干合并右冠病变定义为3支病变。主要观察指标:①不同冠状动脉病变程度患者不同测量位点的内中膜厚度。②冠状动脉粥样硬化性心脏病严重程度的预测因子。③颈动脉不同位点内中膜厚度值对冠状动脉粥样硬化性心脏病的预测价值。④不同危险因子与内中膜厚度的关系。结果:285例患者全部完成实验进入结果分析。①不同冠状动脉病变程度患者不同测量位点的内中膜厚度经卡方检验,左、右颈动脉窦的F值最大,分别为65.64和63.24。左、右颈动脉窦的内中膜厚度值随冠状动脉病变程度的加重而增厚。②对冠状动脉粥样硬化性心脏病严重程度的预测因子进行回归分析表明,男性、高密度脂蛋白胆固醇、低密度脂蛋白胆固醇、左颈动脉窦、右颈动脉窦、右颈内动脉、右颈外动脉的内中膜厚度为冠状动脉粥样硬化性心脏病严重程度的独立预测因子。左颈动脉窦和右颈动脉窦是冠状动脉粥样硬化性心脏病的最重要的预测因子(t=3.61,P=0.391;t=2.58,P=0.247)。③颈动脉不同位点内中膜厚度值对冠状动脉粥样硬化性心脏病的预测价值中左右颈动脉窦的阳性预测值最高,分别为是89.9%,88.8%。④对不同危险因子与内中膜厚度的关系行多元回归分析,其结果是:年龄,体质量指数,胆固醇,三酰甘油,高密度脂蛋白胆固醇和低密度脂蛋白胆固醇是左颈动脉窦处动脉粥样硬化的危险因子。结论:颈动脉窦内中膜厚度与冠状动脉粥样硬化性心脏病程度明显相关。二者有共同的病理与血液动力学基础。颈动脉窦内中膜厚度可以作为筛选冠状动脉粥样硬化性心脏病的指标。     

256层螺旋CT主动脉成像中不同触发监测点对对比剂剂量的影响

目的 探讨256层螺旋CT主动脉成像中不同触发监测点对对比剂剂量的影响。 方法 将接受主动脉CTA的40例患者随机分为A组和B组,对比剂为碘佛醇(350 mgI/ml),注射速度为4.0 ml/s。A组监测点在主动脉弓降部,对比剂剂量为70 ml;B组监测点在肺动脉主干,对比剂剂量为55 ml。测定主动脉增强后平均CT值,统计分析两种监测点下的主动脉增强后平均CT值和图像质量。 结果 40例均触发成功;A、B组主动脉增强后平均CT值分别为(267.4±21.6)HU、(257.7±27.0)HU,差异无统计学意义(t=1.25,P=0.22)。A组20例图像质量均为优;B组19例图像质量为优,1例为良;两组满足诊断率均达100%,差异无统计学意义(P=1.000)。 结论 以肺动脉主干为触发监测点行256层螺旋CT主动脉成像是可行的,可降低对比剂剂量,优越性明显。