Application of symplectic algorithms to QCT calculation:H+H_2 system

The basic theory of symplectic algorithm was introduced. A comparison between Runge-Kutta method and symplectic integration method was preformed in the simulation of the long time behavior of H + H2 system on BKMP potential energy surface. Our results reveal a dis-sipative behavior in the integral of ordinary differential equation by the fourth order Runge-Kutta method, which causes incorrect simulation results in QCT calculations. However, when the symplectic integration method is applied, the dissipative behavior is not found in the same system. When the initial state is the same, the energy deviation of fourth order symplectic integral method is almost one percent of that of fourth order Runge-Kutta method in a 60000-step simulation, and that of sixth order symplectic integral method is much less. These results show that the symplectic integral methods are always the better choice in the integral calculation of the long time behavior in maintaining energy conservation.     

高效液相色谱法在青霉素生产工艺中的应用

A method of simutaneous determination of phenylacetic acid and peniciline in manufacture by high performance liquid chromatography has been proposed.The effective value of peniciline and content of phenylacetic acid in ferment solutions of different periods in production were measured.The method is accurate,convenient and fast.     

RAP ID FIUORIMETRIC DETERMINATION OF TRYP TOP HAN BY THE R(?)ACTION WITH CERIUM (Ⅳ)

A flmorimetric method for determination of t typ top han was proposed. This method is very simple, rapid in determination of tryp top han in aqueous medium. The percentage of recovery was satisfactory.     

Preparation of Porous Alumina Film on Aluminum Substrate by Anodization in Oxalic Acid

Self-ordering of the cell arrangement of the anodic porous alumina was preared in oxalic acid solution at a constant porential of 40V and a temperature of 20℃. The honeycomb structure made by one step anodization method and two step anodization method is different. Pores in the alumina film prepared by two step anodization method were more ordered than those by one step anodization method.     

OPTICAL INTERFERENCE METHOD FOR THE STUDY OF MOISTURE SWELLING IN PET FILMS

A method for measuring moisture swelling of amorphous PET films by using Rayleigh interferometer is reported, Plots of the optical path of light transmission in the polymer vs. soaking time were obtained, and from the same curves, the dependence of time on the moisture swelling, saturated water absorption and diffusion coefficient of PET films were estimated. These results are in agreement with those obtained by weighing method. It is shown that optical interference method is a simple but sensitive method for the study of water absorption and swelling in transparent polymer films.     

STEREOSELCETIVE SYNTHESIS OF SOME NUCLEOSIDES

A new method for the synthesis of perbenzylated, peracetylated and perbenzoylated sugar nucleosides has been carefully studied. In this method trichloroacetoxy and trifluoroacetoxy groups were displaced efficiently in the reaction of nucleoside formation as leaving group. And this method was found to be widely applicable in the study of carbohydrate chemistry.     

Establishment and application of a new method for the determination of kinetic parameters by plug-plug kinetic capillary electrophoresis (ppKCE)

A novel plug-plug kinetic capillary electrophoresis method was established, which can be used to si-multaneously determine the kinetic parameters kon and koff in interaction systems. The method is comparatively simple and some restrictions in conventional ppKCE methods can be effectively avoided. The requirements for resolution and detection sensitivity in this method are much lower than those of conventional ppKCE. The successful determination of the kinetic parameters and the binding constant Kb between citalopram and BSA showed availability of this method. The results were confirmed by us-ing the time ratio method. The application field of kinetic capillary electrophoresis can be expanded with this new method.     

OPTIMIZATION OF MULTI-STEP LINEAR PROGRAMME TEMPERATURE IN CAPILLARY GAS CHROMATOGRAPHY

An optimal method to select the optimal temperature of multi-step linear programme temperature in capillary gas chromatography, by simultaneously considering the effects of column temperature and differences of column distance to be moved on resolution and analytical times, has been developed. We called this optimal method a moving overlapping resolution mapping method because the immigrating position of solute in column is traced. The validity of this optimal method has been verified.     

EFFECT OF PROCESSING METHOD ON THE IMPACT STRENGTH OF POM/TPU/CaCO3 TERNARY COMPOSITES

Polyoxymethylene （POM）/elastomer/filler ternary composites were prepared, in which thermoplastic polyurethane （TPU） and inorganic filler, namely, CaCO3, were used to achieve balanced mechanical properties of POM. The dispersion and phase morphology of POM/elastomer/filler composites were found to depend largely on processing method, CaCO3 content in masterbatch and the filler size. Two processing methods were employed to prepare POM/elastomer/filler ternary composites. One is called the one-step method, in which elastomer and the filler directly melt blended with POM matrix. The other is called the two-step method, in which the elastomer and the filler were mixed to get masterbatch first, which was then melt blended with pure POM of different content. The effect of phase morphology and processing method on impact strength was investigated. It was found that the two-step method results in an increase in impact strength but not for the one-step method. Additionally, the impact strength of POM ternary composites decreases with the increase in the size of CaCO3 particles.     

荧光分光光度法测定矿物油的标准油选择研究

本文研究了我国37种原油、机油和柴油的荧光激发光谱和发射光谱特征。提出用比值法或发射波长法将矿物油分组,尔后选择相应的标准油。该法克服了统一方法制取标准油烦琐、费时的缺点。     

X-射线荧光光谱成型滤纸片法测定原油中的钒、镍、锰和铜

本文介绍了一个以有机金属标准试剂配制标准样品,成型滤纸片作为标样与试样的支撑材料,点滴法制备样片,用透空照射法直接测定原油中V、Ni、Mn和Cu的X-射线荧光光谱法。方法检出限低,制样与测量精度小于6％,标准加入回收率较好,具有简单、快速、实用的特点。     

核磁共振氢谱分析重瓦斯油中芳烃抽提流程各控制点的组分

利用核磁共振氢谱测定了重柴油中芳烃抽提流程各控制点的组分，绘制了油／Ｎ－甲基吡咯烷酮（ＮＭＰ） 和水／ＮＭＰ体系的标准曲线，发现由此可以计算油品的组成。结果表明，该法可用于生产工艺控制流程中。最后对 溶剂的循环利用作出了评价。     

Determination of betaines in vegetable oils by capillary electrophoresis tandem mass spectrometry--application to the detection of olive oil adulteration with seed oils

A CE–tandem mass spectrometry (MS²) methodology enabling the simultaneous determination of betaines (glycine betaine, trigonelline, proline betaine and total content of carnitines) in vegetable oils was developed. Betaines were derivatized with butanol previous to their baseline separation in 10 min using a 0.1 M formic acid buffer at pH 2.0. Ion trap conditions were optimized in order to maximize the selectivity and sensitivity. Analytical characteristics of the proposed method were established by evaluating its selectivity, linearity, precision (RSDs ranged from 4.8 to 10.7% for corrected peak areas) and accuracy by means of recovery studies (from 80 to 99%) and LODs and LOQs at 0.1 ppb level. The method was applied for the determination of the selected betaines in seed oils and extra virgin olive oils. MS² experiments provided the fingerprint fragmentation for the betaines identified in vegetable oils. In extra virgin olive oils, carnitines were not detected, making it possible to propose them as a feasible novel marker for the detection of adulterations of olive oils. Application of the developed method for the analysis of different mixtures of extra virgin olive oil with seed oil (between 2 and 10%) enabled the detection and quantitation of the total content of carnitines. The results obtained show the high potential of the developed method for the authentication and quality control of olive oils.     

生物医用蓖麻油基聚氨酯及其接枝改性的研究进展

蓖麻油是价格低廉的可再生资源,含有大量的羟基,可代替聚酯(醚),合成出蓖麻油基聚氨酯,在生物医学领域有着广阔的发展空间。本文阐述了聚氨酯合成方法,分析了结构特性,并对其蓖麻油基聚氨酯接枝改性进行了较详细的探讨。报道了蓖麻油基聚氨酯接枝改性后的生物医用发展趋势。随着组织修复材料的发展,以天然生物质为原料而制备的该种复合生物材料是有广阔的发展前景。     

Authentication of Camellia oleifera Abel Oil by Near Infrared Fourier Transform Raman Spectroscopy

Adulteration of Camellia oleifera Abel. oil with other cheaper oil has been a long‐term problem in Taiwan because the price of Camellia oleifera Abel. oil is much higher than that of other edible oils due to its distinguished physiological properties. To develop an efficient method for determining the authenticity of Camellia oleifera Abel. oil is of great importance. In previous study (Appl. Spectrosc. 2003 , 57, 413), we showed that the Raman intensity ratio of ν₁₆₅₆/ν₁₄₃₉ was capable of reflecting precisely the degree of unsaturation in edible oils. Accordingly, we further present this Raman method to determine the authenticity of Camellia oleifera Abel. oil. It showed that the intensity ratio (I_{ν1656/ν1439}) changed concomitantly with the magnitude of double bonds in the binary mixtures of Camellia oleifera Abel. oil blended with other edible oil. A linear relationship with a high correlation coefficient (R² = 0.9938) between the Raman intensity ratio of ν₁₆₅₆/ν₁₄₃₉ and the percentage of Camellia oleifera Abel. oil was obtained, which could be used to determine the authenticity of Camellia oleifera Abel. oils collected from various markets. It shows that FT‐Raman spectroscopy provides a direct, simple, rapid, and non‐invasive method to probe the authenticity of Camellia oleifera Abel. oil.     

气相-质谱法测定孜然芹挥发油的化学成分

 采用水蒸气蒸馏法从孜然芹中提取挥发性成分,并用气相 质谱法(GC MS)联机分析,共分离出60余峰,鉴定出了49种物质,用面积归一法确定了相对含量。在所分离出的化合物中,碳氢化合物16种,烃类含氧衍生物32种。主要成分为枯茗醛和藏花醛,它们分别占测得组分的32 26%和26 49%。另有9种含量在1%以上的物质,主要是萜类中的单萜、倍半萜和芳香族醛、酮醚类物质。低含量组分主要为萜烯类的醇、醛、酮、酯和部分芳香族化合物。在气相分析中,选择了合适的条件,采用中等极性的DB 210柱,对孜然芹挥发油中的中等极性和非极性成分有较好的分离效果。     

A novel approach to the rapid assignment of 13C NMR spectra of major components of vegetable oils such as avocado,mango kernel and macadamia nut oils

Assignment of ¹³C nuclear magnetic resonance (NMR) spectra of major fatty acid components of South African produced vegetable oils was attempted using a method in which the vegetable oil was spiked with a standard triacylglycerol. This proved to be inadequate and therefore a new rapid and potentially generic graphical linear correlation method is proposed for assignment of the ¹³C NMR spectra of major fatty acid components of apricot kernel, avocado pear, grapeseed, macadamia nut, mango kernel and marula vegetable oils. In this graphical correlation method, chemical shifts of fatty acids present in a known standard triacylglycerol is plotted against the corresponding chemical shifts of fatty acids present in the vegetable oils. This new approach (under carefully defined conditions and concentrations) was found especially useful for spectrally crowded regions where significant peak overlap occurs and was validated with the well‐known ¹³C NMR spectrum of olive oil which has been extensively reported in the literature. In this way, a full assignment of the ¹³C{1H} NMR spectra of the vegetable oils, as well as tripalmitolein was readily achieved and the resonances belonging to the palmitoleic acid component of the triacylglycerols in the case of macadamia nut and avocado pear oil resonances were also assigned for the first time in the ¹³C NMR spectra of these oils. Copyright © 2009 John Wiley & Sons, Ltd.     

微波辐射法提取柚皮、橙皮的挥发油

The essence oil of citrus grandis peel and orange peel was extracted by the microwave method in this article.The results show that the best condition of extracting is when 100 g peel is extracted at 360 W with n-hexane for 50 s,the obtained rate of pomelo oil is 1.73% and orange oil is 0.65%.     

独活挥发油化学成分的气相色谱-质谱法测定

采用水蒸气蒸馏法从独活中提取挥发油。采用不同类型的毛细管柱进行分析 ,找出最佳分析条件 ,共分离出50个峰 ,用归一化法测定其相对含量 ,并用气相色谱 -质谱法对化学成分进行鉴定 ,共鉴定了40个成分 ,占挥发油总成分的80 %以上。