太西煤中有害元素在洗选过程中的迁移行为与机理

通过对太西原煤及洗选产物样品中19种有害元素的系统测试，分析了煤中有害元素在洗选过程中的迁移行为，初步讨论了其迁移机理，结果表明，有害微量元素As,Bs,Se,Co,Sb,Mo,Pb,Br在太西原煤中明显富集，但洗选后得到大程度的脱除，大粒精煤的洁净度最高，对环境的危害性相对较小，绝大多数有害元素在煤泥中相对富集，煤泥不适宜于用做燃料，煤中有害元素的迁移行为，与元素赋存状态，显微组分种类与含量，煤中矿物结构等多元因素有关。     

Laser photolysis of interaction of poly-guanylic acid (5′) with anthraquinone-2-sulfonate

The electron transfer reaction between triplet anthraquinone-2-sulfonate and poly- guanylic acid (5′) in CH3CN-H2O (97:3) has been investigated by 248 nm (KrF) laser flash photolysis. The transient absorption spectra and kinetics obtained from the interaction of triplet anthraquinone-2-sulfonate and poly[G] demonstrate that the primary ionic radical pair, radical cation of poly[G] and radical anion of anthraquinone-2-sulfonate have been detected simultaneously. The free energy changes in the process of the electron transfer were also calculated.     

纳米八面体形FeP@PC的制备及催化析氢性能

以UIO-66为载体, 经过FeCl₃化学气相沉积、 原位碳化和磷化及HF刻蚀等步骤制备了多孔FeP@PC催化剂. 利用X射线衍射仪、 场发射透射电子显微镜、 X射线光电子能谱仪和气体吸附仪等对催化剂的结构、 形貌和比表面积等进行了表征; 同时采用线性扫描伏安法和电化学阻抗谱等对其电化学性质进行了考察. 结果表明, FeP@PC保持了原UIO-66的八面体多孔结构, 比表面积为83 m ²/g; 仅需要过电位156 mV即可驱动电流密度10 mA/cm ², 塔菲尔斜率为84 mV/dec, 电荷转移电阻为44 Ω, 电化学活性表面积为13.9 mF/cm ²; 在持续电解12 h和循环1000次后, 催化剂的活性几乎没有衰减.     

鬼臼毒素及其衍生物的单电子还原电位测定

采用脉冲辐解技术,杜醌作参比物,通过改变鬼臼毒素、去甲表鬼臼毒素和VP-16的浓度,控制其阴离子向杜醌电子转移的速度,测得了鬼臼毒素、去甲表鬼臼毒素和VP-16的单电子还原电位分别为-310,-339和-334mV,揭示了鬼臼毒素及其衍生物作为抗肿瘤药物的辐射增敏机理.     

苯胺氧化羰基化研究(英文)

以Ｐｄ／Ｃ为催化剂,以ＮａＩ为助催剂,以无水乙醇为溶剂,进行了苯胺氧化羰基化反应。研究了苯胺氧化羰基化的最佳工艺条件,解释了碘化钠在本反应中所起的助催作用。在１７０℃,反应两小时后,Ｐｄ／Ｃ显示了高活性（９７.４９％）和高选择性（８５．２６％）。最后,提出了苯胺氧化羰基化反应的机理。     

The time-resolved spectra of a crowned indolinospiroben-zopyran

The photochromic process of an indolinospiropyran with a crown ether fragment (BN-BIPS) was studied by nanosecond laser photolysis technique. The results show that quinonic merocyanine B was formed via an excited singlet state from BN-BIPS; in acetonitrile solution, the transient absorption of merocyanine B showed an obvious decay while a new transient absorption at 440nm (from isomer C) was observed simultaneously. The decay of merocyanine B and the formation of isomer C (at 440nm) were accelerated in the presence of alkali metal cation. In contrast, the formation of isomer C was not observed in spiropyran without a crown ether fragment: BIPS.     

羟基和甲氧基活化苯环能力比较

采用B3LYP/DFT方法和6-311+G**基组优化了苯酚、苯甲醚、苯胺、苯氧基负离子以及对甲氧基苯甲醛和对羟基苯甲醛等6个化合物的分子结构。通过比较这些化合物的键长和π电子布居数,推断出4个活化基团对苯环的活化能力有如下顺序;-OH3 2 -。也计算了苯酚、苯甲醚、苯胺和苯氧基负离子发生F-C甲基化反应的速率决定步骤的自由能,结果显示这4个化合物的反应活性顺序如下;苯酚< 苯甲醚< 苯胺< 苯氧基负离子。结论是;羟基活化苯环的能力略弱于甲氧基,但是氧负离子活化苯环的能力比羟基和甲氧基高得多。     

ψ′强衰变分支比测定中探测效率的修正

利用北京谱仪收集的4×10⁶ψ′事例样本,在ψ′衰变到ωπ⁺π^－,b₁π,ωf₂(1270),ωK⁺K^－,ωpp,φπ⁺π^－,φf₀(980),φK⁺K^－,φpp末态的研究中,讨论了粒子鉴别条件和运动学拟合的选择效率及其修正,据此得到了这9个末态的分支比的初步结果,检验了微扰QCD预期的12%规则.     

Reaction of carotenoids with CCl_3OO~· by using pulse radiolysis

CCl4 as a selective toxin to liver can be metabolized into the free radical 3CClg by cyto- chrome P450 through a reductive dehalogenation. In the presence of oxygen, 3CClg reacts rapidly with O2 to form CCl3OO·[1], which reacts with various biological molecules, including DNA bases, amino acids and lipids and leads to various types of tissue injury[2]. CCl3OO· is used as a model of alkyl peroxyl radicals because it can be generated in water/alcohol solution, in which sufficient solubi…     

氰根桥联CrⅢ-CrⅡ一维配合物{[Cu(cyclam)] [Cr(bpb)(CN)2]2·2H2O}n的合成、结构与磁性

基于构筑单元K[Cr(bpb)(CN)₂] 和[Cu(cyclam)] (ClO₄)合成了一个氰根桥联的Cr^Ⅲ-Cr^Ⅱ一维化合物{[Cu(cyclam)] [Cr(bpb)(CN)₂]₂·2H₂O}_n[cyclam=1,4,8,11-四氮杂环十四烷;bpb^2-=1,2-二(2-吡啶甲酰胺基)苯] (1),并通过X-衍射单晶分析表征其结构特征.结果表明:化合物1是由氰根桥联的2种不同金属组成的聚合物,其结构属于三斜晶系, P1空间群,a=0.9667 3(19) nm,b=1.345 1(3) nm,c=1.382 0(3) nm,α=77.12(3)°,β=76.93(3)°,γ=82.02(3)°,V=1.699 1(6) nm³,Z=2,D_c=1.567 g·cm^-3,μ=1.086 mm^-1,F(000)=828,R₁=0.0413,wR₂=0.1200.磁性研究表明:配合物1中的Cr^Ⅲ离子和Cr^Ⅱ离子之间存在弱的铁磁耦合作用.