利用准经典轨线和量子波包方法研究 A+BC 碰撞—三个典型体系反应机理的理论研究

在本论文中，我们利用QCT和QMWP方法对F+HCl、H+HS 和S+HD三个基元反应进行了详尽的动力学计算，发现了这些反应体系的反应机理信息。F+HCl反应在理解HF化学激光的泵浦机制方面起着非常重要的作用。我们对该反应执行了QCT计算，研究了碰撞能和反应物转动激发对积分反应截面、微分反应截面和产物转动极化的影响，得到了不同碰撞能下的态-态动力学信息。通过分析势能面和反应轨线，我们发现了两种新的反应机理。利用反应体系的质量组合、势能面的特征和新发现的反应机制，F+HCl反应的动力学行为得到了非常合理地解释。SH2体系是含S原子反应类型中最具代表性的反应体系。在两个新的三重态势能面上，我们对H+HS反应的抽取、交换反应通道进行了准经典轨线计算。结果表明：氢抽取反应通道的热速率常数随温度呈Arrhenius型变化，理论结果与实验测量符合很好。两个通道产物的散射行为遵循不同的微观机制，态-态的微分散射截面给出了反应机制以及它们引发的动力学结果的全景图像。基于3A′′势能面，我们对S+HD反应进行了QM和QCT计算，得到了两个反应通道的反应几率、积分反应截面、内同位素因子和产物转动取向因子等动力学信息，发现了体系存在非常强烈的内同位素效应。我们发现SD+H产物通道存在不同的反应路径。新的反应机制结合反应体系的质量组合情况，可以很好地解释反应体系存在的内同位素效应

Quasiclassical state-to-state dynamics of the F+HCl reaction on a ground 1A potential energy surface

Quasiclassical state-to-state dynamics of the F+HCl reaction on a ground 1A potential energy surfac

Influence of Inimicusjaponicasliver extract on mice's immune function

目的研究鬼鲉肝脏提取物对免疫低下小鼠免疫功能的影响。方法采用环磷酰胺诱导建立免疫低下动物模型,免疫器官重量法测定胸腺指数和脾脏指数,碳粒廓清法测定小鼠单核巨噬细胞的功能,绵羊红细胞免疫法测定小鼠体液免疫功能,采用血细胞计数仪检测小鼠外周血常规,采用ElISA方法测定小鼠血清中Tnf-α、Il-1β、Il-2、Il-6的水平,采用流式细胞仪测定脾细胞周期。结果鬼鲉肝脏提取物可以减缓免疫低下小鼠体重的下降趋势以及脾脏和胸腺的损伤、促进其脾细胞的分裂和增殖、增加其单核巨噬细胞吞噬功能和血清溶血素含量以及白细胞数、中性粒细胞数、淋巴细胞数和单核细胞数和血清中Tnf-α、Il-1β、Il-2、Il-6的含量。结论鬼鲉肝脏提取物可以增强免疫低下小鼠的免疫功能。Objective To investigate the influence of Inimicus japonicas liver extract on the immune function of immunosuppressed mice.Methods Immunosuppression animal model was established by cyclophosphamide induction.The immunity organs were weighed to measure the thymus index and spleen index;the clearance of charcoal particles method was used to measure mice's mononuclear macrophages functions,and sheep red blood cells immunizations was used to measure mice's humoral immune functions;mice's blood counts were measured by blood-counter system,and Enzyme-linked Immuno Sorbent Assay(ELISA)was used to measured the TNF-α,IL-1β,IL-2and IL-6level in blood serum;the spleen cell cycle was measured by flow cytometry.Results Inimicus japonicas liver extract significantly improved the thymus index and spleen index,promoted the division and proliferation of spleen cells,improved the mononuclear macrophages functions,increased the hemolysin level of blood serum and the levels of leukocytes,neutrophils,lymphocytes and monocytes,and also increased the levels of TNF-α,IL-1β,IL-2and IL-6in blood serum.Conclusion Inimicus japonicas liver extract enhanced immunosuppressed mice's immune function.海洋公益性行业科研专项(201205024-1)资

Effects of extracts of Sipunculus nudus Linnaeus on thrombosis

目的通过对家兔体外血浆血小板聚集和凝血功能的影响、对大鼠动-静脉血流旁路血栓形成的影响、对dPPH自由基的清除作用及对纤维蛋白的溶解作用,综合评价星虫提取物对血栓形成的影响。方法以二磷酸腺苷(AdP)诱导血小板聚集,采用比浊法观察星虫提取物对家兔体外血浆血小板6MIn聚集率和最大聚集率的影响;采用凝固法来评价星虫提取物对家兔体外血浆凝血酶原时间(PT)、活化部分凝血激酶时间(APTT)及凝血酶时间(TT)的影响;采用动静脉旁路模型,来研究星虫提取物对大鼠动静脉旁路血栓形成的影响;采用2,2-二苯基-1-苦肼基(dPPH)自由基清除率法,来评价星虫提取物清除OH自由基的作用;通过纤维蛋白平板实验研究星虫提取物的纤溶活性。结果星虫提取物能明显抑制AdP诱导的家兔体外血小板6MIn聚集率和最大聚集率,能明显延长家兔PT、APTT和TT,明显抑制大鼠动静脉旁路血栓形成,减轻血栓湿重和干重;具有清除OH自由基的作用以及不同程度地溶解纤维蛋白的作用。结论星虫提取物具有很好的抗血栓形成的作用。Objective To evaluate the thrombotic activity of Sipunculus nudus extracts by investigating their effects on rabbit plasma platelet aggregation and coagulation function in vitro,and the effect on the model of artery-vein bypass thrombosis in rats,as well as capacity of eliminating DPPH free radicals and dissolving fibrin.Methods Inhibition rates of platelet aggregation in vitro were determined in the model of platelet aggregation induced by adenosine diphosphate.Their anticoagulative effects were also evaluated with prothrombin time(PT),activated partial thromboplastin time(APTT) and thrombin time(TT).The model of artery-vein bypass thrombosis was established to observe their antithrombotic effect.The antioxidant effects were investigated by DPPH free radical scavenging capability test.The fibrinolytic activity was determined by fibrin plate.Results The results showed that the extracts had significant inhibition effect on platelet aggregation,and could obviously prolong PT,APTT and TT,inhibited the artery-vein bypass,reduced the thrombus weight significantly(wet or dry).And the extracts of S.nudus also could eliminate DPPH free radicals and dissolve fibrin at different degree.Conclusion Extracts of S.nudus had strong antithrombotic effect.海洋公益性行业科研专项(201205024)资

Resource chemistry evaluation of fatty acids on Sipunculus nudus collected from different habitats

目的对裸体方格星虫样品中脂肪酸类成分进行比较研究。方法采用气相色谱-质谱联用技术(GCMS)对12个裸体方格星虫样品中的26种脂肪酸进行了含量测; 定,并进一步对各样品中的各成分的含量进行了主成分分析。结果对裸体方格星虫样品的测定结果显示各样品26种脂肪酸类成分总含量范围为198.20; ~578.05mug/g,总含量最高的样品是海南三亚的裸体方格星虫体腔液样品(S12);各产地样品中脂肪酸类成分总含量均呈现体腔液部位高于外壁+; 内脏部位。测定样品的26种脂肪酸中,不饱和脂肪酸总含量高于饱和脂肪酸总含量;多不饱和脂肪酸中,亚油酸和alpha-亚麻酸含量最高,分别占总含量的; 1.54%~5.65%和1.61%~4.94%;单不饱和脂肪酸中顺芥子酸含量最高,分别占各样品总含量的14.66%~46.41%;基于26种脂肪; 酸的含量测定结果对12个裸体方格星虫样品的PCA分析结果显示不同产地裸体方格星虫的外壁+内脏样品相互接近,体腔液样品差别较大。结论裸体方格星虫中; 脂肪酸不仅种类多样、含量丰富,而且具有多种重要活性作用的不饱和脂肪酸比例合理。本研究中对脂肪酸类成分的研究结果将对进一步开发利用裸体方格星虫提供; 一定的理论基础。Objective To compare and evaluate fatty acids in Sipunculus; nudus.Methods 26fatty acids in 12batches of S.nudus samples were; determined by GC-MS,and the data were further handled by a PCA scatter; plot to compare the content variation of the samples.Results The total; contents of 26fatty acids in the samples ranged from 198.20mug/g(S9)to; 578.05mug/g(S12),and the sample from Hainan had the highest total; contents of 26fatty acids.The total contents of 26fatty acids in; coelomic fluid were higher than those in body wall and intestine in; S.nudus collected from all the regions.The total contents of unsaturated; fatty acids were higher than saturated fatty acids.Among the; polyunsaturated fatty acids,the contents of linoleic acid were between; 1.54%and 5.65%and the contents ofalpha-linolenic acid were between; 1.61%and 4.94%.The contents of cis-sinapic acid were the highest in; monounsaturated fatty acids,which ranged from 14.66%to; 46.41%.Moreover,the results of PCA performed on the basis of the; contents of 26tested compounds showed the difference of the parts in; S.nudus samples. Conclusion S.nudus had an excellent source of fatty; acids with reasonable proportion of unsaturated fatty acids. The; research results provided a firm basis for further exploitation and; development of S.nudus.海洋公益性行业科研专

超声分子束注入对<bold>J-TEXT</bold>装置等离子体边缘流和湍流的影响

超声分子束注入是磁约束聚变装置常用的补充加料手段之一，并对等离子体流和湍流产生重要影响。实验在J-TEXT装置上开展，采用三台阶朗缪尔探针阵列，在欧姆放电氢等离子体中观测了超声分子束注入对边缘流和湍流的影响。结果表明：超声分子束注入后测地声模带状流、湍流及其驱动的粒子输运分别减小40%~60%、50%~70%及60%~70%，且伴随着离子-离子碰撞频率增大；湍流雷诺协强及湍流对测地声模带状流做功明显减小；密度及温度梯度降低。进一步分析表明，测地声模带状流减弱主要归因于湍流雷诺功的降低和碰撞率的增加；湍流减弱可能是密度、温度梯度降低的结果；湍流驱动的粒子输运减小可能来自径向速度涨落幅度下降。这些研究结果有助于对托卡马克等离子体湍流与输运的理解，并为未来ITER装置的运行提供参考