教师自主支持认知与自主支持行为相关性的研究

为研究教师自主支持认知与自主支持行为的相关性,以70名中学化学教师为研究对象,以著名学者Deci编制的问卷为工具,采用2种量化分析方法选择出高自主支持认知水平和低自主支持认知水平的2组教师。用弗兰德斯互动分析系统系统地对比分析2组教师的课堂教学行为,发现教师自主支持认知与自主支持行为具有一致性。     

电镜用双层支持膜的制备及应用

本文综合了Formvar膜强度大和火棉胶膜分散性好的优点,制备出了Formvar-火棉胶双层支持膜。Formvar膜在下层增大了膜的强度,火棉胶膜在上层改善了膜的分散性。根据电镜对支持膜的特殊要求,摸索出了制备双层支持膜的原料溶液的浓度范围及浓度配比范围,并且通过红外光谱(IR)证实了双层支持膜结构的存在。通过实际应用,发现双层支持膜具有高分辨率、强电子束照射下膜保持稳定不破损等优点,双层支持膜比以前传统使用的单层支持膜在许多方面都取得了较大的改善,尤其适用于纳米材料的电镜观察,因此,值得进一步推广应用。     

支持向量机分类和回归用于肽的QSAR研究

使用支持向量机技术对两类肽化合物体系进行了分类和回归研究,并将其系统地与K最邻近法、多元线性回归、偏最小二乘、人工神经网络进行了比较。结果表明,对于小样本、非线性问题,支持向量机具有较强的稳定性能及泛化能力,在大多数情况下能够得到优于传统方法的建模效果。对于分类问题,支持向量机对训练集和测试集都达到了100%的分类正确率;对于回归问题,支持向量机虽对训练集样本拟合效果略低于人工神经网络,但对外部测试集却表现出较强的预测能力。     

支持向量机方法预测有机物的亨利常数

以有机物摩尔体积V、偶极项π*、氢键给予体的酸性am、氢键接受体的碱性βm等四种理化参数为输入变量,利用支持向量机方法对72种有机物的亨利常数值进行了定量预测研究。研究发现,采用支持向量机方法可以实现使用较少样本数据建模,并达到较好的预测结果。支持向量方法的预测结果远优于线性回归法预测结果。     

化学支持“四新建设”的进展、思路与重点

对当前化学支持四新建设的进展进行了综述，概括出新建四新专业、特色方向升级到专业、在现有专业下设置四新特色方向、开设四新微专业、按四新理念升级课程体系和教学内容、按四新要求改革教学理念和模式等6种化学支持四新建设的路径。基于对当前建设过程中存在问题的分析，明确了未来强化化学支持四新建设的方向和重点。     

分散体系中任意形状的胶粒模型与相互作用能——Ⅰ. 相同的球颗粒

本文提出了一种计算任意形状胶粒相互作用的新方法。把粒胶做为一个凸面体, 做出它的支持平面, 当假定两凸面体的支持平面之间的排斥能可以由经典DLVO理论计算时, 令一凸面体(或它的相似体)沿另一凸面体(或它的相似体)转动, 那么, 两凸面体胶粒之间的排斥能, 就是支持平面之间的排斥能沿凸面体(或它的相似体)的表面积分。计算结果表明, 这种方法十分简便, 又有足够高的精确度。     

基于科学探究活动资源的化学虚拟实验系统设计研究

国内已有的化学虚拟实验系统综合性不强, 满足不了科学探究活动的设计要求。结合科学探究过程的理论基础, 设计完成了支持科学探究过程的综合性化学虚拟实验系统, 并阐述了每个模块的设计思想与过程以及其支持下的科学探究活动的实施。     

透射电镜光学薄膜制样新法

将新劈开的云母片制成直径大约为2厘米的圆片,中心挖一个直径略小于3毫米的圆孔(即稍小于电子显微镜铜网的直径)。再用一张滤纸亦剪成直径为2厘米的圆片,在中心放一带有支持膜的电子显微镜铜网(其支持膜可以是火棉胶膜,也可以是聚乙烯醇缩甲醛膜,支持膜的制备与常规电子显镜铜网支持膜的制备方法相同)。放好铜网后,再     

杭州老虎洞窑古陶瓷成分的化学计量学研究

用支持向量机算法研究了与杭州老虎洞古陶瓷有关的两个断源、断代问题。作为化学计量学的～种新型分类算法,支持向量机在小样本问题上表现出良好的泛化能力,与特征选择方法结合,可以有效处理样本少,特征多的问题。本研究综合利用支持向量机、特征选择算法和其它化学计量学算法研究了杭州凤凰山麓万松岭附近的古窑遗址和“传世哥窑”的断源、断代问题,证明老虎洞窑与郊坛下窑产品截然不同,万松岭附近地面收集瓷片样本是老虎洞窑宋代地层的瓷片滑落所致,而“传世哥窑”样品可能是老虎洞窑元代时的产品。实验表明：支持向量机算法与化学分析相结合可以成为研究古陶瓷断源和断代问题的一种新方法。     

超微电极研究——支持电解质浓度对准稳态伏安分析的影响

在超微电极伏安分析中,支持电解质对伏安曲线的影响主要表现在两个方面:第一,电活性物质的电迁移对法拉第电流的影响,影响的程度与电活性物质的电荷、反应电子数和支持电解质的浓度有关;第二,支持电解质影响电解池的IR降、界面电位而导致伏安曲线变形.本文通过选择一些典型体系,对该问题的一些规律作了实验总结.     

二氧化碳和丙烯直接合成甲基丙烯酸的NiPMo/TiO2催化剂的研究

用溶胶-凝胶法以磷钼酸(MPA)的镍盐溶液水解钛酸四丁酯制备了NiPMo/TiO2催化剂.使用ICP、 XRD、 TG-DTA、 IR、 TPD-MS和微反应技术研究了催化剂的化学组成、热稳定性、化学吸附性质和催化反应性能.杂多钼酸盐与TiO2通过O2-在TiO2表面发生了键合.在623 K下,杂多阴离子仍保持原有的Keggin结构.CO2在Lewis酸位Ni(Ⅱ)和Lewis碱位Ni-O-Mo的桥氧协同作用下生成CO2卧式吸附态Ni(Ⅱ)←O-(CO)←(O--Ni).丙烯有多种吸附态在催化剂上吸附.在563 K、 1 MPa和空速1500 h-1的反应条件下,丙烯的摩尔转化率为3.2%,产物MAA选择性为95%.     

Synthesis of 1-benzyloxypyrazin-2(1H)-one derivatives

Different approaches for the synthesis of 1-benzyloxypyrazin-2(1H)-one derivatives from simple amino acids have been investigated. A library of 33 precursors for the preparation of N-hydroxy pyrazinones was obtained in moderate to good yields.     

Toward new camptothecins. Part 6: Synthesis of crucial ketones and their use in Friedländer reaction

In the context of the preparation of camptothecin and luotonin A analogs, the synthesis of some key keto-precursors and their use in Friedländer condensation are described. This paper also focuses on the stability of these keto intermediates and emphasizes the major differences between indolizinones and pyrroloquinazolinones series. Noteworthy is also the report of some original structures isolated as by-products of some experiments.     

CoFe2O4自形成磁性液体场致结构化对磁化的影响

The Langevin paramagnetic theory can’t describe the relation between magnetization of ferrofluids and applied magnetic field. The structuralization of ferrofluids, which is considered the main influence factor of the magnetization, is regarded. The part of magnetization works is deposited when the structure is forming. This action influences the magnetization of ferrofluids directly or indirectly. On the base of the “compressing” model, the Langevin function that usually describes the magnetization of ferrofluid is modified, and a well-fitted curve is obtained. An equation of the relation between the equivalent volume fraction after being “compressed” and the intensity of magnetic field is discovered, which approximately describes the process of magnetization. The relation between the approximate initial susceptibility and the volume fraction can be obtained from modified formula.     

Highly regioselective Buchwald–Hartwig amination at C-2 of 2,4-dichloropyridine enabling a novel approach to 2,4-bisanilinopyridine (BAPyd) libraries

The highly regioselective Buchwald–Hartwig amination at C-2 of the cheap and readily accessible reagent, 2,4-dichloropyridine with a range of anilines and heterocyclic amines is described. This new methodology is robust and provides a facile access to 4-chloro-N-phenylpyridin-2-amines on 0.25 mol scale. These intermediates undergo a further Buchwald–Hartwig amination at higher temperature to enable rapid exploration of the chemical space at C-4 and to provide a library of 2,4-bisaminopyridines.     

KMnO4-mediated oxidative CN bond cleavage of tertiary amines: Synthesis of amides and sulfonamides

KMnO₄-mediated oxidative CN bond cleavage of tertiary amines producing secondary amine was introduced, which was trapped by electrophiles (acyl chloride and sulfonyl chloride) to form amides and sulfonamides. The reaction could take place at mild condition, tolerating a wide range of function groups and affording products in moderate to excellent yields.     

Chemistry of heterocyclic compounds at the A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, over 50 years (Review)

The review contains a concise historical account and information on the most significant researches undertaken by the staff at the A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences on the Chemistry of Heterocyclic Compounds. Dedicated to Academician of the Russian Academy of Sciences B. A. Trofimov on his 70th jubilee. Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 10, pp. 1443–1502, October, 2008.     

A general and convenient synthesis of 4-(tosylmethyl)semicarbazones and their use in amidoalkylation of hydrogen,heteroatom, and carbon nucleophiles

A general synthesis of previously unknown semicarbazone-based α-amidoalkylating reagents, 4-(tosylmethyl)semicarbazones, has been developed. The synthesis involved three-component condensation of semicarbazones of aliphatic or aromatic aldehydes with the same or other aldehydes and p-toluenesulfinic acid. The scope and limitations of this reaction were investigated. The compounds obtained were demonstrated to be an efficient α-(4-semicarbazono)alkylating agents. They were reacted with H- (sodium borohydride), O- (sodium methylate), S- (sodium phenylthiolate), N- (pyrrolidine, sodium succinimide), P- (trialkyl phosphites), and C-nucleophiles (sodium diethyl malonate) to give the corresponding products of the tosyl group substitution, 4-substituted semicarbazones, including analogues of nitrofurazone. Among the prepared compounds tested in vitro for antibacterial and antifungal activity, three nitrofuryl-containing semicarbazones exhibited high biological activities with minimum inhibitory concentration (MIC) values of 8–32 μg/mL.     

Sulfur-directed metal-free and regiospecific methyl C(sp3)–H imidation of thioanisoles

Regiospecific and direct imidation of the methyl C(sp³)–H bond of thioanisoles is realized under mild and metal-free conditions with N-fluorobis(benzenesulfonyl)imide as an oxidant and nitrogen source. Proposed mechanism suggests that thionium ion intermediates and a Pummerer-type reaction are involved. The imidation has advantages such as high step-economy, excellent functionality tolerance, and regiospecificity, giving structurally diverse imidation products.     

Synthesis of novel chiral bidentate hydroxyalkyl-N-heterocyclic carbene ligands and their application in palladium-catalyzed Mizoroki–Heck couplings and asymmetric addition of diethylzinc to benzaldehyde

A small library of new chiral bidentate hydroxyalkyl-imidazolium salts 1 is conveniently synthesized on multi-gram scale from inexpensive and commercially available chiral pool amino acids. The corresponding carbenes, generated by deprotonation of imidazolium salts 1, in combination with palladium(II) chloride were tested in the Mizoroki–Heck coupling reaction. The most significant results in terms of yields and reactivities were achieved with low catalyst loading. The catalytic activities of these imidazolium salts were also investigated in the asymmetric addition of diethylzinc to benzaldehyde. The use of MgO nanoparticles as an additive in conjunction with these ligands played a crucial role in increasing the efficiency of these reactions.