二聚炔醇酸性介质缓蚀剂的合成与应用

对二降炔醇化合物ＤＭＨ的合成，分子结构及缓蚀作用机理进行了论述。因ＤＭＨ化合物具有独特的分子结构，形成了的络合体系及基因的屏蔽效应，增加了缓蚀被膜厚度及缓蚀体系的化学稳定性，实验证实ＤＭＨ是酸性介质中的高效缓蚀剂。     

二聚炔醇高效缓蚀剂的合成

本文详细讨论了二聚炔醇衍生物,1,6-二羟基-1,1-二甲基-2,4-己二炔(DMH)的合成及其在酸性介质中的缓蚀机理。DMH化合物除具有小分子炔醇的极性基团吸附作用和二次化学作用外,还形成了较强的二乙炔络合体系及甲基非极性基团的屏蔽效应。二聚分子结构在增加保护被腹厚度,提高缓蚀体系化学稳定性方面,也有着显著的促进作用。     

羟基不饱和烯炔类化合物的缓蚀作用研究进展

针对羟基不饱和烯炔类化合物在腐蚀领域缓蚀作用的研究现状,本文对一些含羟基的烯炔类化合物在无机酸液中对金属缓蚀的相关研究结果、分子结构与缓蚀作用关系以及作用机理进行了总结。     

3-溴-1-氯-5,5-二甲基海因及相关化合物的合成

由５,５－二甲基海因（ＤＭＨ）一锅法合成３－溴－１－氯－５,５－二甲基海因（ＢＣＤＭＨ）。合成了中间体一溴－５,５－二甲基海因（ＢＤＭＨ）及一氯－５,５－二甲基海因（ＣＤＭＨ）,并由这两种中间体合成了３－溴－１－氯－５,５－二甲基海因和１－溴－３－氯－５,５－二甲基海因。     

R 22-R 142b-DMF 体系汽液平衡研究

利用Ｒｏｓｅ－Ｗｉｌｉａｍｓ汽液双循环等压平衡釜测定了二元体系Ｒ１４２ｂ－ＤＭＦ及三元体系Ｒ２２－Ｒ１４２ｂ－ＤＭＦ的汽液平衡数据。并分别用ＵＮＩＦＡＣ模型和ＵＮＩＦＡＣ－ＭＨ８１基团贡献型状态方程作了关联和预测，结果符合得较好。     

季铵盐对酸性介质中钢铁的缓蚀作用

本文介绍了以三甲基胺、溴代烷、吡啶等为原料，合成了一系列季铵盐化合物，用失重法研究了它们在５％硫酸介质中，在不同温度下，对碳钢的缓蚀作用，阐述了季铵盐的分子结构及试验温度对缓蚀率的影响。     

10，10’－二烃基－9，9’－联二吖啶烯的电荷转移光谱和氧化反应研究

研究了１０，１０’－二烃基－９，９’－联二吖啶烯的ＤＤＱ的电荷转移光谱，用两种方法计算出了它们的电离热（Ｉｐ）值，并研究了该系列化合物与ＤＤＱ、ＴＣＮＥ和ＣＡ的氧化反应，其氧化结果和用ＨＮＯ＿３氧化所得到的１０，１０’－烃基－９，９’－联二吖啶硝酸盐结果一致．在ＤＤＱ、ＴＣＮＥ和ＣＡ中，只有ＤＤＱ可以和该系列化合物形成ＣＴＣ，其原因是ＤＤＱ有弱的氧化能力而有强的络合能力．     

Py—GC—MS和LC—MS技术在褐煤结构研究中的应用

Ｄａｍｓｔｅ等用快速热解－气相色谱和快速热解气相色谱－质谱法对西班牙的五种褐煤进行了分子结构研究。用该项技术，使煤中大分子有机结构在惰性气氛中降解，形成的化合物在线分离，鉴定和定量分析，得到了用其它方法难以取得的较详细的煤大分子结构信息。Ｂｏｎｎｅｔｔ等借助流动带界面液相色谱－质谱法对煤中卟啉同系物进行了分离和鉴定。此法可证明Ｃ３２，Ｃ３１，Ｃ３０和Ｃ２９多烷基卟啉在劣质褐煤抽提物离析出的血红素馏     

供氢化合物对1，3－二苯丙烷热分解的抑制作用

以１，３－二苯丙烷（ＤＰＰ）作为煤相关模型化合物，研究了几种供氢化合物（ＨＤＣ）对ＤＰＰ热分解的作用。结果表明，ＨＤＣ抑制ＤＰＰ的热分解。     

新型杀虫剂取代-2-硝基亚氨基-咪唑烷的合成及初步药效试验

采用类同合成法对吡虫啉分子结构进行改造，合成出了5个新取代－2－硝基亚氨基－咪唑烷化合物，并且对这5个化合物用萝卜蚜进行了初步药效试验，发现5个化合物都有不同程度的药效，显示出其均可作为先导化合物，从而进一步优化分子结构开发成为一种高效、低毒、较低成本新农药的良好前景。     

改良人工神经网络方法预测烷烃物理性质

引言近年来,图论不变量用于定量构效关系（QSAR)和定量构性关系（QSPR）研究已引起许多化学家和其他相关科学家的极大兴趣,发表了许多有关图论指数的优秀论文．Randic指出一个新的图论指数至少应具有对各种异构体的良好分辨能力和与物质物理性质的高相关性．然而,已有的指数较难同时满足这两个基本条件．为此,前文基于分子结构的两个最基本特征即原子间距离和相互连接边数,提出了一种称之为分子距边矢量(简称MDE矢量）的新图论参数,并已证明该矢量对于150个烷烃具有良好的分辨能力和性质相关性,并以多元线性回归方法对烷烃沸点…     

水质稳定剂TJ-302的合成及其阻垢性能研究

以马来酸酐、丙烯酸和含磷化合物为主要原料，在水相中一步合成出含膦马-丙多元共聚物TJ-302；筛选出一种阻垢增效剂，并对其阻垢性能进行了测试。结果表明：在相同的质量浓度40mg／L下，TJ-302的阻垢率为94．9％，超过了分步合成后再复配的TJ-301的阻垢性能，且该药剂适用于较高pH(pH=9．2)；当阻垢增效剂质量浓度为2．00mg／L时，其阻垢率提高了4．3％。     

介孔分子筛的合成与修饰

综述了水热法合成介孔分子筛反应条件对产物结构及稳定性的影响 ,以及对纯硅介孔分子筛进行修饰以合成嵌入式和负载型介孔分子筛的研究现状。     

新型低膦水质稳定剂的研制及应用(Ⅳ)TJ-101阻垢分散剂的分子量分布与阻垢性能关系研究

用凝胶色谱法研究了 TJ- 10 1阻垢分散剂的合成工艺条件与产品分子量及阻垢性能的关系。结果表明 :单体配比、反应温度、引发剂、分子量调节剂和添加剂的不同用量对分子量及其分布都有制约作用 ,相应的水质稳定剂产品的阻垢性能也不同     

Multiscale Simulation on the Influence of Dimethyl Hydantoin on Mechanical Properties of GAP/RDX Propellants

The influence of dimethyl hydantoin (DMH) on the mechanical properties of GAP/RDX propellant was studied by molecular dynamics (MD) and dissipative particle dynamics (DPD) simulation. The results showed that the binding energies (E_binding) between GAP and different surfaces of RDX were in the order of (010)>(001)>(100). Compared to GAP/RDX, GAP grafted with DMH (GAP‐DMH) exhibits higher binding energies with RDX, and the sequence of E_binding turns to (001)>(010)>(100). Radial distribution simulations demonstrated that GAP‐DMH is more close to the surfaces of RDX, increasing the van der Waals energies between GAP‐DMH and RDX. The stress and strain of GAP‐DMH/RDX excel those of GAP/RDX. DPD simulations showed that GAP‐DMH was able to restrain the agglomeration of RDX, to improve the dispersibility and to enlarge the contact surface with RDX, which also increased the mechanical properties of GAP/RDX propellant.     

Fe-Mn-C三元金属熔体作用浓度计算模型

根据含化合物的金属熔体结构的共存理论，推导了Fe－Mn－C金属熔体作用浓度计算模型，计算的碳作用浓度NC'与文献实测的碳活度aC相符合，从而证明所得模型可以反映Fe－Mn－C金属熔体的结构本质．同时模型揭示了锰含量XMn对标准态转换系数LC的影响规律．     

Effects of 1,2-Dimethylhydrazine on Barrier Properties of Rat Large Intestine and IPEC-J2 Cells

Colon cancer is accompanied by a decrease of epithelial barrier properties, which are determined by tight junction (TJ) proteins between adjacent epithelial cells. The aim of the current study was to analyze the expression of TJ proteins in a rat model of 1,2-dimethylhydrazine (DMH)-induced colorectal cancer, as well as the barrier properties and TJ protein expression of IPEC-J2 cell monolayers after incubation with DMH. Transepithelial electrical resistance and paracellular permeability for sodium fluorescein of IPEC-J2 were examined by an epithelial volt/ohm meter and spectrophotometry. The expression and localization of TJ proteins were analyzed by immunoblotting and immunohistochemistry. In the colonic tumors of rats with DMH-induced carcinogenesis, the expression of claudin-3 and -4 was significantly increased compared to controls. The transepithelial electrical resistance of IPEC-J2 cells increased, while paracellular permeability for sodium fluorescein decreased, accompanied by an increased expression of claudin-4. The increase of claudin-4 in rat colon after chronic DMH exposure was consistent with the acute effect of DMH on IPEC-J2 cells, which may indicate an essential role of this protein in colorectal cancer development.     

Study of the properties of a multi-component inhibitor used for water treatment in cooling circuits

This work is devoted to the corrosion inhibition of a carbon steel in a 200 mg l^–1 NaCl solution by an original multicomponent inhibitor: fatty amines in association with phosphonocarboxylic acid salts and a biocide at low dosage. Its principal advantage is the absence of toxicity and its biodegradability. Steady-state current–voltage curves were combined with electrochemical impedance measurements to characterize the inhibitive properties of each compound and to optimize the concentration of the compounds in the mixture. Phosphonocarboxylic acid salts were observed to act as an anodic inhibitor whereas mixed action was shown for fatty amines. The inhibitive efficiency was increased when the phosphonocarboxylic acid salt concentration was increased whereas for fatty amines an increase of the concentration did not improve corrosion inhibition. Optimal concentrations of fatty amines and phosphonocarboxylic acid salts were determined. X-ray photoelectron spectroscopy (XPS) was used to analyse the layer formed on the metal surface by the inhibitive mixture. The film was composed of an iron oxide/hydroxide mixture incorporating the organic compounds. The inhibitive molecules interact with the iron oxides.     

Study of different triazole derivative inhibitors to protect copper against pitting corrosion

Electrochemical experiments were performed to study the inhibitive effect towards copper corrosion of three organic compounds: namely, benzotriazole, 1-hydroxybenzotriazole and 3-amino 1,2,4-triazole. Statistical analysis of pit nucleation times showed that 3-amino 1,2,4-triazole exhibited the most significant inhibitive effect towards pitting. However, impedance measurements revealed that this compound produced a thinning of the passive film. This was corroborated by X-ray photoelectron spectroscopy. Results showed that copper pitting resistance could not be explained only by characterizing the protectiveness of the passive film.     

Synthesis and structural peculiarities of 1,1‐dimethylhydrazine‐based polyurethanes

Novel polyurethanes (PUs) based on poly(oxytetramethylene glycol), 4,4′‐methylenediphenyl diisocyanate, and 1,1‐dimethylhydrazine (DMH) were prepared. Stoichiometric (1 : 1) and nonstoichiometric (2 : 1 to 20 : 1) prepolymer/DMH ratios were studied. The number‐average molecular masses and possible structures of the obtained polymers were evaluated by potentiometric nonaqueous titration analysis of terminal groups, the Kieldal method (the evaluation of the nitrogen atom content), the aminolysis method, viscosimetry, IR spectroscopy, rheology, and small‐angle X‐ray scattering. Only in the case of the stoichiometric (1 : 1) ratio was a low‐molecular‐mass PU with a linear structure formed, whereas for all studied nonstoichiometric ratios, PUs with branched structures were formed. The level of hard and flexible block segregation increased with the increase in the prepolymer/DMH ratio. Dielectric results for the dynamic glass transition and water sorption measurements provided additional support to the structural studies. © 2009 Wiley Periodicals, Inc. J Appl Polym Sci, 2009