DFT Study of Oxygenated Organic Pollutants Catalyzed by Molybdenum Oxides: Comparison of Reaction Mechanisms of MoO_x + HCHO(x = 1, 2, 3)

The reaction mechanisms between formaldehyde and MoO_x(x = 1, 2, 3) have been studied thoroughly in this paper. Five reaction pathways were found in three reactions(reactions Ⅰ to Ⅲ) through studying the mechanisms of MoO_x(x = 1, 2, 3) catalyzing formaldehyde. Different products were obtained from three reactions. Of all three reactions, the barrier energy of Route ⅡA is the lowest(4.70 kcal/mol), which means in MoO_x(x = 1, 2, 3), MoO_2 has the best catalytic effect. Compared with other similar non-toxic treatments of formaldehyde, our barrier energy is the lowest. In this research, there was no good leaving group of the compound, so the mechanisms are addition reaction. We speculate that there must be an addition reaction to the more complex reactions to molybdenum oxides and aldehydes. As a chemical reagent for removing formaldehyde, it only absorbs formaldehyde and does not emit other toxic substances outward. Molybdenum oxides retain its original structures of the final products, which means it has excellent stability in the reaction of MoO_x(x = 1, 2, 3) + HCHO. The mechanisms of all three reactions are addition reactions, but they are entirely different. As the number of oxygen atoms increases, the reaction mechanisms become simpler.     

苯基荧光酮荧光分光光度法测定痕量锗的研究

锗具有增血、抗炎症、抗衰老等多种医疗功能 ,因此 ,越来越受到人们的关注。荧光光度法测定微量锗已有报道[1～ 4] 。用苯基荧光酮荧光度法测定锗未见报道。本文利用苯基荧光酮与锗在醋酸 醋酸钠缓冲溶液中络合物形成速度快的优势 ,使其先在缓冲溶液中显色 ,然后在 0 .3ｍｏｌ ＬＨＣｌ介质中测定其荧光强度 ,用于粉煤灰中痕量锗的测定 ,得到满意结果。1　实验部分1 1　仪器与试剂ＲＦ - 5 4 0荧光分光光度计 (日本岛津 )。锗标准溶液 ( 1ｇ Ｌ) :称取 0 .1 0 0 0ｇ纯锗粉于 5 0ｍｌ小烧杯中 ,加入 5ｍｌＮａＯＨ ,再加入几滴 30 %Ｈ2 Ｏ2…     

Density Functional Theory Studies on the Mechanism of Activation Formic Acid Catalyzed by Transition Metal Oxide MoO

This paper systematically studies the reaction mechanisms of formic acid catalyzed by transition metal oxide MoO. Three different reaction pathways of Routes I, Ⅱ and Ⅲ were found through studying the reaction mechanism of transition metal oxide MoO catalyzing the formic acid. The transition metal oxide MoO interacts with the C=O double bond to form chiral chain compounds(Routes I and Ⅱ) and metallic compound MoOH_2(Route Ⅲ). In this paper, we have studied the mechanisms of two addition reaction pathways and hydrogen abstraction reaction pathway. Routes I and Ⅱ are both addition reactions, and their products are two different chiral compounds MoO_3CH_2, which are enantiomeric to each other. In Route Ⅲ, metal compounds MoOH_2 and CO_2 are obtained from the hydrogen abstraction reaction. Among them, the hydrogen abstraction reaction occurring in Route Ⅲ is more likely to occur than the others. By comparing the results of previous studies on the reaction of MxOy-+ ROH(M= Mo,W; R = Me, Et), we found that the hydrogen abstraction mechanism is completely different from the mechanism of oxygen-containing organic compound catalyzed by MxOy.     

罗丹明B修饰的树形高分子作为核酸递送载体的研究

设计合成了三种罗丹明B修饰的树形高分子核酸递送载体GR-1、GR-2和GR-3,并通过核磁共振氢谱分析了树形分子表面联接的罗丹明B的数目。琼脂糖凝胶电泳实验表明,树形分子表面的罗丹明B数目越少,对RNA的浓缩效果越好。在三种核酸递送材料中,GR-3对Antagomir-138-5p的递送效率最高,基因沉默效率70% 左右,高于商业化的转染试剂Lipofectamine 2000。     

盐桥的作用是什么

本文从盐桥对液体接界电势的影响、盐桥降低接界电势的原因及选用盐桥的方法几方面对盐桥的作用给予了探讨与介绍。     

Meso—四（4—甲氧基苯基）卟啉与铜显色反应的吸光光度法

应用水溶性卟啉显色剂吸光光度法测定微量铜已有报道,但未见到利用非水溶性Meso-四(4-甲氧基苯基)卟啉作显色剂测定铜的报道。本文研究了在非离子表面活性剂Tween-80存在下,铜与T(4-MOP)P的显色反应,反应溶液pH 5.92,经沸水浴加热35min,铜与T(4-MOP)P形成有色配合物,最大吸收波长位于416nm,摩尔吸光系数为ε=1.16×10~5,铜在0～3.0μg/25ml范围内有很好的线性关系,经对地下水样品分析获得很满意效果,相对标准偏差<3％。