HMB体系分子内质子传递的量子化学计算研究

首次利用量子化学半经验AM1方法和从头算HF/6-31G方法对一种新型的苝醌类光? 艏?PQP)-菌生素(HMB)的结构及其分子内质子传递(IPT)进行了理论计算研究，并? 捎弥鸩皆黾硬嗔吹姆椒ㄉ杓屏艘幌盗心Ｐ突衔镆钥悸歉鞑嗔炊訦MBIPT的影响，? 峁推p醌(PQ)的IPT作了对比。同于HMB只有一个分子内氢键，此项研究对解释PQP的光敏活性有十分重要的意义。本研究主要结论：(1)基态时HMB的IPT势垒只有10.0180kJ/mol(反式)和37.9819kJ/mol(顺式)，分子中存在着快速的IPT。(2)侧链对HMB的IPT势垒影响较小，IPT主要受它的大共轭结构和共振模式的影响。(3)过渡态时质子的电荷增加，质子传递势垒与它的电荷变化成线性关系，此关系可推广到其它质子传递体系。(4)HMB的IPT势垒和IPT过程中羟基氧氢键以及氢键的键长变化均成较好的线性关系。(5)虽然只有一个IPT模式，HMB的IPT以及共振模式仍然和PQ十分相似，这是HMB保持光敏活性的基础。     

壳聚糖/Pb(Ⅱ)模板壳聚糖膜与Pb(Ⅱ)螯合反应的动力学及机理探讨

Chitosan and chitosan membranes with Pb(Ⅱ) ion as template were studied. The adsorption isotherms were correlated by dc/dt=-kcⁿ at the temperature of 30 ℃, 35 ℃, 40 ℃, 45 ℃, 50 ℃. By means of linear correlation, the shapes of the isotherm curves were similar to the kinetic function of 2/c^1/2=-kt and the apparent activation energy for with chitosan(123.8 kJ·moL^-1) was larger than that of membrane with Pb(Ⅱ) ion(92.3kJ·moL^-1). The chitosan membrane with Pb(Ⅱ) ion template was better “memory” function. The adsorption mechanism of chitosan with Pb(Ⅱ) was studied by IR and XPS. The results indicated that the nitrogen in -NH₂ and the oxygen in C₃-OH of chitosan were coordination atoms.     

等离子体聚合法制备膜蒸馏用疏水微孔复合膜

本文以八氟环丁烷为单体,采用等离子体聚合法将亲水性硝酸纤维素微孔膜改性,制得疏水硝酸纤维素微孔复合膜。所得疏水微孔复合膜可用于膜蒸馏,并具有优良的膜蒸馏性能,其通量达到反渗透水平。利用扫描电镜、X-射线显微分析和XPS等分析手段研究了聚合条件对所得复合膜结构性能的影响.     

接触角法研究氨丙基硅烷化石英表面

利用接触角法研究了氨丙基硅烷化石英表面的基团浓度及单分子层中单个分子的截面积。提出了氨丙基硅烷化的模型。     

Construction of Recombinant Modified Vaccinia Ankara （MVA） Expressing Hepatitis B Virus Surface Antigen

Introduction Despitetheexistenceofeffectiveprophylacticvac cinesagainstthehepatitisBvirus(HBV)formany years,HBVinfectionremainsaserioushealthproblem worldwide.Approximatetwobillionpeoplehavebeen infectedbyHBVanditisestimatedthatmorethan350millionofthemare…     

Purification and Primary Structure Determination of a Novel Polypeptide Isolated from Mistletoe Viscum coloratum

A novel polypeptide was isolated from mistletoe Viscum coloratum. The primarystructure of the polypeptide ‘named viscotoxin B2‘ was determined to be KSCCKNTTGRNIYNT CRFAGGSRERCAKLSGCKIISASTCPSDYPK by Edman degradation. Viscotoxin B2 shared highsequence homology with viscotoxins isolated from Viscum album. Pharmacological experimentsshowed that viscotoxin B2 had distinct cytotoxic activity on tumor cells. Viscotoxin B2 could beused as a leading compound in cancer therapy.     

Synthesis and Crystal Structure of Neodymium Complex[Nd (C_(18)H_(20)N_2O_4) (NO_3)_3]

1INTRODUCT1oNMeta1liccomplexesofsomeSchiffbaseshaveantiviraIandfungistaticac-tivies[1-3i.SomeSchiffbasemetalliccomplexeshavecatalyticactivityasenzyme"'.Thisaspectacu1arresearchfield-WehavereportedthesynthesisandcrystalstructureofNd(llI)nitratecomplexwithN,N-disalicyclideneethylenediamineandDMSO(si'HerethetitlecomplexwasobtainedandcharacterizedbyX-raydiffrac-tion'Theligandisdischiffbaseofcondensationfrom2-hydroxyl-3-methoxyben-zoaldehydeandethylenediamine.2EXPERIMENTAL2.1Synthesi…     

基板界面对PS/PMMA溶液共混物溶剂挥发成膜相结构的影响

研究了PS PMMA的共混物溶液溶剂蒸发成膜时的基板界面效应 .利用扫描电子显微镜 (SEM)研究了PS PMMA(5 5 ) (W W) THF高分子共混物溶液在不同基板上通过溶剂挥发成膜的相形态结构 .通过FTIR及ATR FTIR检测了共混物薄膜及其表面的共混组成 .研究结果表明 ,成膜基板对高分子共混物溶液成膜后的相形态有很重要的影响 .控制共混物溶液体系成膜过程中的动力学因素 ,可以调控出所设想的各种复杂的相结构形态     

IgA肾病免疫吸附剂的研究(Ⅰ)

本文采用碳酰二咪唑（N，N'-Carbonyldiimidazole,CDI)为活化剂^[1]，活化琼脂糖载体，并以人免疫球蛋白G（IgG)，为配基制成的免疫吸附剂首次探讨了对高IgA肾病病人血清进行体外清除IgA的实验，吸附率为30－35％，具有一定的清除效果。     

松毛虫性信息素前体(4Z,6E)-十一碳二烯醛的合成

从简单原料乙炔出发, 通过炔对丙烯醛的加成得到7-溴代-(4Z,6E)-庚二烯醛, 经乙二醇保护、Pd催化偶联、水解等步骤立体选择性地得到松毛虫性信息素前体(4Z,6E)-十一碳二烯醛.