生物质裂解产物的制备及HPLC检测其成分的虚拟仿真实验开发

In order to improve university laboratory teaching and practical education under the background of information technology, as well as overcome the difficulty for practical training, develop a virtual simulation experiment platform for rapid pyrolysis of natal materials and high-performance liquid chromatographic (HPLC) detection of its components. The experiment integrates the actual operation process of the plant to produce cleaved products by rapid pyrolysis of biomass with HPLC detection. The virtual experiment is divided into biomass sample pretreatment, rapid biomass pyrolysis, bio-oil extraction, and HPLC determination of complex components, making the biomass cleavage workshop "real" through simulation. This virtual simulation experiment fully integrates the utilization of biomass resources and basic chemistry courses (such as organic chemistry, instrumental analysis, chemical engineering principles, etc.), which are widely involved in agricultural and forestry majors with advantageous characteristics value.     

“鱼”乐圈大揭秘

This article introduces the relationship between chemistry and fish farming, fish selling, and fish food. The nitrogen cycle process in fish ponds is introduced to explain the fish farming. "Yufuling" is used as the entry point to fish selling to connect food safety with chemistry. Fishy smell is explained from a chemical perspective for fish food. This paper aims at making a scientific explanation of life phenomena, deepening the consciousness of chemical life, helping people establish a correct view of chemical science, and inspiring youth to learn to use the knowledge that they have learned to explain life phenomena. This paper also tries to show the youth that life cannot be separated from chemistry, and chemistry cannot be separated from life.     

A Novel Dimeric Coumarin from Clausena lenis

A novel dimeric coumarin (1), a dimeric of seselin named diseselin A, was isolated from the aerial part of Clausena lenis. The structure was elucidated based on the MS, 1D and 2D NMR data.     

Studies on the Electrochemical Characteristics of K2FeO4 Electrode

Discharge performance of K2FeO4 electrode under different conditions was studied by the constant electric current discharge method. The electrochemical characteristics of K2FeO4 electrode were investigated for the first time by means of cyclic voltammetry. The results show that the K2FeO4 electrode made at moderate pressure (20MPa) and discharged at lower current has better discharge performance. It is also found that K2FeO4 electrode is significantly rechargeable.     

固相萃取柱上衍生气相色谱-质谱法测定水中烷基酚

以烷基酚(APs)主要降解产物辛基酚(4-t-OP)、壬基酚(4-n-NP)为研究对象,建立了固相萃取(SPE)柱上衍生化、气相色谱-质谱(GC-MS)法测定水中APs的分析方法。以C18柱为固相萃取柱、N,O-(三甲基硅)三氟乙酰胺(BSTFA)为硅烷化试剂,设计五因素四水平正交实验L16(45),对衍生化影响因素、衍生化溶剂、衍生化时间以及SPE主要影响因素pH值、盐度和洗脱剂进行优化;在优化条件下,方法的回收率(高于80%)和重现性(RSD低于10%)结果令人满意,4-t-OP和4-n-NP的仪器检出限分别为3.35ng/L和6.38ng/L。采用建立的方法,回收率略高于传统的SPE萃取衍生法,具有有机溶剂用量少,方法简单快速、灵敏度高的特点,适用于河水和海水中痕量烷基酚的快速测定。     

硅氢加成反应高选择性合成甲基苯乙基二氯硅烷

研究了硅胶负载聚乙二醇铂催化苯乙烯与甲基二氯氢硅的硅氢加成反应,β-加成产物甲基苯乙基二氯硅烷的选择性为100%,10℃下反应8h苯乙烯转化率为96.0%.反应存在一个诱导期,温度等反应参数对诱导期有重要影响,40℃下反应的诱导期不到1h,并探讨催化剂的催化机理和目标产物高选择性的原因.     

N,N-二(2-苯并咪唑亚甲基)甲胺高氯酸盐的晶体和电子结构

合成了三齿配体N,N-二(2-苯并咪唑亚甲基)甲胺(MN3)的高氯酸盐.对该化合物进行了元素分析、紫外和红外表征;采用X射线衍射方法测定了该化合物的晶体结构,依据晶体结构数据使用G98程序对配体(MN3)进行了量子化学计算.     

Self-ordering process of phenanthrene polyesters observed by the simultaneous DSC-XRD method

Phase transition behavior of polyesters derived from 2,7-phenanthrene dicarbonic acid diethylester and alkanediols with even methylene carbon number was investigated by the simultaneous DSC-XRD method. The smectic A phase was observed on cooling from the molten state. The transition entropy from the isotropic state to the smectic A phase was about 9.0 J mol^-1 K^-1, which depended on the methylene carbon number. The linear expansion coefficients, based on the (001) spacing of the crystalline phase at room temperature, were 1.3·10^-4 K^-1 (crystalline phase), 5.7·10^-4 K^-1 (crystallization region), 1.7·10^-3 K^-1 (smectic A phase) during cooling, and 1.5·10^-4 K^-1 (crystalline phase), and 1.0·10^-3K^-1(melting region) on heating. This revised version was published online in July 2006 with corrections to the Cover Date.     

β‐Amino Alcohol Properfumes

Amino‐alcohol derivatives of fragrant, volatile aldehydes and ketones were synthesized in a one‐pot procedure by sequential cyanohydrin formation with trimethylsilyl cyanide and reduction with lithium aluminium hydride, or by ammonolysis of epoxide precursors. The amino alcohols are nonvolatile, stable properfumes releasing fragrant carbonyls by oxidation with sodium periodate or sodium bismuthate. Examples include amino alcohol properfumes of citronellal, Lilial^®, lauryl aldehyde, menthone, benzaldehyde, and anisaldehyde.     

应用反向传播神经网络预测化合物脑血分配系数

选用27种三维结构性质描述符对脑血分配系数预测建立神经网络模型.网络模型选用典型的适合函数逼近的两层结构神经网络对脑血分配系数(lgBB,BB为脑血浓度比)进行预测,计算中采用的模型具有一个双曲正切型激活函数的隐含层和一个线性激活函数的输出层.计算表明,使用小心选择的反向传播神经网络模型对化合物脑血分配系数具有较好的预测能力.