N,N′-亚烃基脂肪酸双酰胺的合成及其润滑性能

研究了文题化合物的合成,制备了二十一种该类化合物。红外光谱及元素分析数据证实了这些化合物结构的正确性。由混炼塑化仪测定了它们的润滑性能,探讨了其润滑性能与分子结构之间的关系。结果表明,芥酸的双酰胺较硬脂酸的双酰胺具有更好的润滑作用;特别是N,N′-(1,2-亚乙基)双芥酸酰胺,明显优于国内目前生产的N,N′-(1,2-亚乙基)双硬脂酰胺和芥酸酰胺。     

H2C=S…HCl氢键复合物结构和性质的密度泛函及自然键轨道理论研究

在DFT-B3LYP/6-311++G**水平上求得H2C=SּּּHCl氢键复合物势能面上的唯一稳定构型, 频率分析表明复合物中H—Cl键伸缩振动频率发生显著的红移, 红移值为378.3 cm^-1, 与实验值362.3 cm^-1吻合. 经MP2/6-311++G**水平计算的含BSSE校正的相互作用能为-13.59 kJ·mol^-1. 自然键轨道 理论(NBO)分析表明, 引起H—Cl键变长的因素包括3种电荷转移: (1) n1(S)(sp^0.31) → s*(H-Cl); (2) n₂ (S) (sp^40.46) → s*(H-Cl); (3) s(H-Cl) → RY*(3)(S)(sp^3.22d^9.32), 其中n2(S) → s*(H-Cl)的转移占主要作用, 总的结果是σ*(H-Cl)的自然布居数增加了50.23 me. NBO程序中自然共振理论(NRT)对复合物的键序分析表明H—Cl键被削弱, 与红外光谱频率计算分析和电荷转移的结论一致. 同时还计算并讨论了H₂C=OּּּHCl氢键复合物的结构和性质.     

甲醛对芦荟POD酶活性的影响

实验以玻璃箱模拟室内空间环境,应用乙酰丙酮分光光度法和邻苯三酚自氧化法测定在不同甲醛含量下芦荟对甲醛的吸收及其体内过氧化物酶(POD)活性的变化情况.结果表明,有芦荟存在时甲醛气体含量显著下降,芦荟体内的POD酶活性增强;随着通入甲醛气体量的增加,芦荟对甲醛的吸收量显著增加,POD活性的提高也越来越显著.说明芦荟体内POD酶对甲醛气体的胁迫存在着一定程度的生理应激反应.     

室内空气中甲醛污染的危害及检测方法的研究

本文对甲醛的理化性质、室内空气中甲醛的来源及甲醛污染对人体健康的危害进行了分析,并对室内甲醛含量的检测方法进行了全面地探讨。     

对有害气体甲醛的综合监控电路

本文论述一款对有害气体实现实时监控的电路系统,该系统最大的特点是能同时对甲醛、液化石油气、CO等多种有害气体实现实时监控并及时报警、排气通风。并且该电路具有设计思路巧妙,工作原理简单、价格低廉、反应灵敏、电路组装及调试方便等显著优点,不仅如此,电路中部分元器件可自行更换,从而能适用更多领域的监控。因此,有着广泛的实际应用价值。     

Density functional theory study on the insertion reaction mechanism of dibromocarbene with formaldehyde

The insertion reaction mechanism of CBr2 with CH3CH2O has been studied by using the B3LYP/6-311G(d) and CCSD(T)/6-311G(d) at single point. The geometries of reactions,transition state and products were completely optimized. All the transition state is verified by the vibrational analysis and the internal re-action coordinate (IRC) calculations. The results show that reaction (1) is the dominant reaction path,which proceeds via two steps: i) two reactants form an intermediate (IM1),which is an exothermal re-action of 8.62 kJ·mol?1 without energy barrier; ii) P1 is obtained via the TS1 and the H-shift,in which the energy barrier is 44.53 kJ·mol?1. The statistical thermodynamics and Eyring transition state theory with Wigner correction are used to study the thermodynamic and kinetic characters of this reaction in temperature range from 100 to 2200 K. The results show that the appropriate reaction temperature ranges from 200 to 1900 K at 1.0 atm,in which the reaction has a bigger spontaneity capability,equi-librium constant (K) and higher rate constant (k).     

Analysis of biomarkers for the cross-linkage of formaldehyde with bovine serum albumin peptides

Formaldehyde, a well-known environmental toxic hazard, has been found to produce endogenously via semicarbazide-sensitive amine oxidase-catalyzed oxidative deamination of methylamine. In diabetes, the activity of SSAO has been found to increase with a subsequent increase in endogenous formaldehyde production. It has been postulated that SSAO-induced production of formaldehyde may be involved in the alteration of protein structure, which may subsequently cause protein deposition associated with chronic pathological disorders. Formaldehyde has also been found to react （cross-link） with amino group of the N-terminal amino acid residue and with the side-chains of arginine, cysteine, histidine and lysine residues. Therefore, formaldehyde may be responsible, at least in part, for protein cross-linkage, oxidative stress and cytotoxicity. The cross-linking of formaldehyde with bovine serum albumin was studied using LC-MS and Mascot database. The peptides sequence for control BSA （untreated） digested with trypsin was matched in the online database search query by exporting the MS/MS data to online MASCOT database. In this way, a total of twenty-seven peptides were matched in the database search query. These twenty-seven peptides were then searched manually in all of the tryptic BSA samples treated with different concentrations of FA that were incubated in different time intervals. Six formaldehyde-treated BSA peptides （FKDLGEEHFK, HLVDEPQNLIK, KVPQVSTPTLVEVSR, RPCFSALTPDETYVPK, LVNELTEFAK, DAFLGSFLYEYSR） were found to be the possible markers for formaldehyde-protein/peptides adducts.     

甲缩醛合成的本征动力学研究

以大孔强酸性苯乙烯系阳离子交换树脂为催化剂，对甲醛、甲醇合成甲缩醛的反应动力学进行了研究，提出了本征动力学模型。生成甲缩醛的反应速度与甲醇的浓度呈两级反应，与甲醛、甲缩醛、水和催化剂浓度均呈一级反应。正逆反应的频率因子分别为Ａ＿（０１）＝１．７２８５×１０￣４、Ａ＿（０２）＝４．９７５×１０￣８；活化能分别为Ｅ＿１＝６．８６２×１０￣３、Ｅ＿２＝９．１６９×１０￣３。对模型作了检验，其一致性良好。     

浅论室内装修的污染和治理

室内装修污染问题已经成为现在文明社会一个严重困扰人类生活的问题。室内装修产生污染的源头和途径,污染源的种类,影响人类生活的严重程度,以及通过一些行之有效的方法来减轻和治理室内装修污染,都应该成为人类社会所共同关注的内容。     

纯棉机织黏合衬的防缩整理

研究了纯棉机织衬布的超低甲醛树脂防缩整理．探讨了树脂用量、催化剂用量、甲醛捕捉剂用量、焙烘时间及温度等因素对整理效果的影响．结果表明超低甲醛树脂整理的最优工艺为：树脂70g／L,催化剂氯化镁7g/L,乙烯脲1g／L。80℃预烘4rain,160℃焙烘120s．整理后衬布的甲醛含量为18．9mg／kg,白度为88．31,撕破强力保留率为88.3％．经向水洗尺寸变化率为-0．40％,纬向水洗尺寸变化率为-0．40％．