Generalized Brownian motion and elasticity

We introduce a family of stochastic processes which are a natural extension of Brownian motion to a tensor form. This allows us to solve a Dirichlet problem of linear elasticity obeying Lamé's equation, [1–(d– 1)]²V(x)+ [·V(x)]=0.     

WO3/(TiO2-SiO2)催化剂的表面分散状态及催化性能的研究

用气相流动吸附法制备复合载体,用浸渍法制备WO3/(TiO2-S iO2)催化剂.应用LRS和TPR技术研究WO3在复合载体TIO2-S iO2表面的分散状态,发现TiO2在S iO2表面的分散可增强WO3与载体之间的相互作用,提高WO3在载体表面的分散阈值.另外TPR实验证明,TiO2的存在不仅大大改善WO3的分散状态,而且使WO3在TiO2-S iO2的还原温度升高,WO3与载体之间的作用增强.负载于经TiO2调变的S iO2上的催化剂其HDS、HYD、BHD活性高于负载于单纯S iO2上的催化剂的活性.     

Pressurized hot water extraction of berberine, baicalein and glycyrrhizin in medicinal plants

Pressurized hot water extraction (PHWE) using a laboratory made system was applied for the extraction of thermally labile and reasonably polar components such as berberine in coptidis rhizoma, glycyrrhizin in radix glycyrrhizae/liquorice and baicalein in scutellariae radix. PHWE was carried out dynamically at a flow of 1 ml/min, temperature between 95 and 140 °C, an applied pressure of 10-20 bar and extraction time of 40 min. Extraction by PHWE was found to give efficiencies comparable to Soxhlet extraction for baicalein in scutellariae radix and sonication for berberine in coptidis rhizoma, and glycyrrhizin in radix glycyrrhizae. Effects of ethanol added into the water used in PHWE were explored. Pressurized liquid extraction (PLE) with methanol as solvent was used for extraction of baicalein in scutellariae radix. The marker compounds present in the various medicinal plant extracts were determined by gradient elution HPLC.     

Polymer-coated hollow-fiber microextraction of estrogens in water samples with analysis by gas chromatography-mass spectrometry

A novel sorbent, dihydroxylated polymethylmethacrylate (DHPMM), coated on hollow-fiber membrane, is used for the polymer-coated hollow-fiber microextraction of trace amounts of natural and synthetic estrogens, such as diethylstilbestrol, estrone, 17beta-estradiol and 17alpha-ethynylestradiol, in aqueous samples. In this procedure, estrogens were extracted using the functionalized polar DHPMM polymer with derivatization using N-methyl-N-(trimethylsilyl)trifluoroacetamide followed by gas chromatography-mass spectrometric analysis. The detection limits for estrogens in aqueous sample were between 0.03 and 0.8 ng l(-1) and the calibration curves were linear over the concentration range 0.05-10 microgl(-1) and had correlation coefficients of >0.994. The relative standard deviations (RSDs) were <15% (n = 3). This simple, accurate, sensitive and selective analytical method is applicable to the determination of trace amounts of estrogens in reservoir and potable water samples.     

MSINDO study of water adsorption on NiO surfaces

The dissociation of water adsorbed on the surface of NiO was investigated by using the semi-empirical SCF MO method MSINDO. Simulations were based on embedded cluster models representing the (100) surface, with and without a monatomic step. The angle formed between the metal adsorption site and the O–H bond associated with water has been found to be critical to the energetics of the dissociation process. Based on this criterion, it was shown that water dissociation is favorable on the stepped surface, but highly unlikely on the planar surface. In addition, the activation energy required for water dissociation in a monatomic NiO step was considerably lower than for dissociation at the planar surface. The high activation energy associated with water dissociation on the planar surface is attributed to the rigidity of the NiO lattice. Dedicated to Prof. K. Jug in honor of his 65th birthday     

《高分子化学》课程中“活性自由基聚合”的教学实践

《高分子化学》课程是五大化学基础课程(无机化学、有机化学、分析化学、物理化学、高分子化学)之一,是化学类、高分子材料与工程、材料化学专业的必修课程。"活性"/可控自由基聚合是一种相对较新且重要的聚合物合成技术和方法,针对目前《高分子化学》课程中活性自由基聚合的教学比较薄弱的现状,从教学的角度探讨了活性聚合和可控/"活性"自由基聚合的本质和特点,介绍了本人在这方面的教学实践活动,遵循成果导向教育理念,通过以学为中心的教学方式,打造金课,提高教学质量。     

Sixth algebraic order trigonometrically fitted predictor–corrector methods for the numerical solution of the radial Schrödinger equation

Our new trigonometrically fitted predictor–corrector (P–C) schemes presented here are based on the well known Adams–Bashforth–Moulton methods: the predictor is based on the fifth order Adams–Bashforth scheme and the corrector on the sixth order Adams–Moulton scheme. We tested the efficiency of our newly developed schemes against well known methods, with excellent results. The numerical experiments showed that at least one of our schemes is noticeably more efficient compared to other methods, some of which are specially designed for this type of problem. It is also worth mentioning that this is the first time that sixth algebraic order trigonometrically fitted Adams–Bashforth–Moulton P–C schemes are used to efficiently solve the radial Schrödinger equation.Active Member of the European Academy of Sciences and Arts     

Reduced inorganic phosphorus in the natural environment: significance, speciation and determination

It is commonly assumed that phosphorus occurs almost exclusively in the environment as fully oxidized phosphate (primarily H₂PO₄⁻ and HPO₄²⁻, where the oxidation state of phosphorus is +V). Recent developments in the field of microbiology and research on the origin of life have suggested a possibly significant role for reduced, inorganic forms of phosphorus in bacterial metabolism and as evolutionary precursors of biological phosphate compounds. Reduced inorganic forms of phosphorus include phosphorus acid (H₃PO₃, P(+III)), hypophosphorus acid (H₃PO₂, P(+I)) and various forms of phosphides (P(−III)). Reduced phosphorus has been detected in anaerobic sediments, sewage treatment facilities and in industrial and agricultural processes.Microbiological evidence suggests a significant role for reduced phosphorus species in metabolic processes and raises interesting questions regarding the biogeochemistry of this nutrient in the environment. However, the paucity of data on the presence and cycling of reduced phosphorus compounds in the environment requires attention in order to elucidate the role of these compounds in natural systems. This paper discusses the significance of reduced phosphorus in the natural environment, its speciation and methods of detection.     

Green Chemistry and Modern Technology

The basic principles, approaches, and early achievements of green chemistry are considered. The definition of green chemistry as a branch of chemistry that studies the laws of passing of chemical reactions and the properties of substances participating in such reactions, with the aim of acquiring basic knowledge that provides a basis for designing chemical technologies that eliminate (sharply curtail) the use and production of materials that pose a risk to the environment.     

Cyclizations via Palladium-Catalyzed Allylic Alkylations [New Synthetic Methods (79)]

The history of ring systems in organic chemistry parallels their synthetic accessibility. Transition-metal-catalyzed cyclizations offer a new opportunity to create carbo- and heterocyclic compounds with great facility. Among these methods, allylic alkylations catalyzed by palladium have proven unusually productive because of the extraordinary chemo-, regio-, and diastereoselectivity and the continuing possibility for the development of enantioselectivity. The rules for ring closure differ from those for non-transition-metal-catalyzed reactions. A major benefit is the ability to generate medium (eight-, nine-, ten-, and eleven-membered) and large rings in preference to normal (five-, six- and seven-membered) rings. With the appropriate substrate, efficient macrocyclizations are possible under conditions of normal concentrations. A second major benefit derives from the complementary stereochemistry of the metalcatalyzed substitution (net retention of configuration) compared to non-metal-catalyzed reactions (inversion of configuration). Further, the requirement for the substrate to conform to the transition-metal template may impose a stereochemical preference in the intermediate that ultimately translates into the thermodynamically less stable organic product regardless of the stereochemistry of the starting material. While more work has focused on carbocyclic synthesis, the possibilities for heterocyclic synthesis are just beginning to be tapped. In addition to forming heterocycles by C? C bond formation, use of a heteroatom as a nucleophile has already proven effective for oxygen and nitrogen, with other nucleophiles awaiting investigation. New dimensions for cyclization via allylic alkylation arise by generating the requisite π-allylpalladium intermediates by methods other than palladium(0)-initiated allylic ionizations. In addition, metals other than palladium will clearly expand the possibilities, but as yet remain untapped.