Glass capillary columns for separation of free organic acids

Glass capillary columns have been prepared without acidic additive in the stationary phase, from which free organic acids elute as sharp and symmetrical peaks. The required surface in the borosilicate glass capillary was generated by a combination of leaching with aqueous HCl and deposition of colloidal silica particles; it can be coated with stationary phases have a broad range of polarity. Aqueous samples containing free organic acids can also be analyzed in such columns in an isothermal mode.     

Radiation: Waves or particles? A quantized approach to time

A fundamental difficulty in theoretical physics is the dual and apparently incompatible interpretations of radiation as showing both continuous and extensive wave properties but also those of discrete atomic or smaller individual particles. Some of these contradictions are outlined. The explanation offered is of a quantized nature of time; units t_o=h/m_oc² for a particle at rest, and of similar interval unit s_o when in relative motion, with conventional relativistic corrections.

For many purposes this form of quantization replaces the need for a wave concept which then appears as a mathematical approach, chosen to avoid the physical concept of an intrinsicc time for any particle, just as we have for its intrinsic mass, spin and electrical charge. t_o and s_o are directly related to its frequency, energy and mass. The uncertainty principle and interference relations follow directly from this model, without any physical wave concept.     

Bifunctional pyridyl alcohols with the bicyclo[3.3.0]octane scaffold in the asymmetric addition of diethylzinc to aldehydes

Some new pyridyl alcohols with the cis-bicyclo[3.3.0]octane scaffold were synthesized and used as chiral ligands for the enantioselective addition of diethylzinc to aldehydes. Ligands 4 were found to be far superior to the C₂-symmetric ligands 2 in terms of enantioselectivities. Quantitative yields and enantiomeric excesses of up to 92% were obtained when the ligand 4 was used. The carbonyl function in 4 proved to be beneficial for the high enantioselectivities in the addition of diethylzinc to aldehydes. Conversion of the carbonyl group into oxime or oxime ether group led to a sort of more active ligands, which catalyzed the same reaction with rate acceleration.     

聚碱性品红修饰电极的制备及应用

研究了碱性品红在玻碳电极上聚合的最佳实验条件及其聚合机理，发现该修饰电极的多巴胺具有良好的催化作用，能大大提高多巴胺在的玻碳电极上的响应，在ｐＨ＝７．０的磷酸盐缓冲溶液中，用修饰电极测定巴胺的线性范围为２×１０＾－７～１×１０＾－５ｍｏｌ／Ｌ，检测限为１×１０＾－７ｍｏｌ／Ｌ，并且具有稳定性好，响应快，选择性等特点。     

Analysis of the pungent principles of ginger and grains of paradise by high-performance liquid chromatography using electrochemical detection

Summary The pungent principles of ginger and grains of paradise are examined using a reversed-phase HPLC column. An electrochemical detector is used to selectively detect the phenolic gingerols and shogaols. The retention indices of the compounds are compared using methanowater and acetonitrile-water as eluents.Presented at the 14th International Symposium on Chromatography London, September, 1982     

Chemical reaction dynamics of PeCB and TCDD decomposition: A tight‐binding quantum chemical molecular dynamics study with first‐principles parameterization

The decomposition reaction dynamics of 2,3,4,4′,5‐penta‐chlorinated biphenyl (2,3,4,4′,5‐PeCB), 3,3′,4,4′,5‐penta‐chlorinated biphenyl (3,3′,4,4′,5‐PeCB), and 2,3,7,8‐tetra‐chlorinated dibenzo‐p‐dioxin (2,3,7,8‐TCDD) was clarified for the first time at atomic and electronic levels, using our novel tight‐binding quantum chemical molecular dynamics method with first‐principles parameterization. The calculation speed of our new method is over 5000 times faster than that of the conventional first‐principles molecular dynamics method. We confirmed that the structure, energy, and electronic states of the above molecules calculated by our new method are quantitatively consistent with those by first‐principles calculations. After the confirmation of our methodology, we investigated the decomposition reaction dynamics of the above molecules and the calculated dynamic behaviors indicate that the oxidation of the 2,3,4,4′,5‐PeCB, 3,3′,4,4′,5‐PeCB, and 2,3,7,8‐TCDD proceeds through an epoxide intermediate, which is in good agreement with the previous experimental reports and consistent with our static density functional theory calculations. These results proved that our new tight‐binding quantum chemical molecular dynamics method with first‐principles parameterization is an effective tool to clarify the chemical reaction dynamics at reaction temperatures. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005     

The index of ideality of correlation: improvement of models for toxicity to algae

Toxicity to algae is important characteristic of substances from ecologic point of view. The CORAL software (http://www.insilico.eu/coral) gives possibility to build up model of toxicity to algae using data on the molecular architecture and experimental toxicity, without additional data on physicochemical and/or biochemical parameters. Considerable improvement of the model is observed in the case of using the index of ideality of correlation (IIC) in the role of additional criterion of predictive potential. The IIC is calculated with using of the correlation coefficient between experimental and calculated values of endpoint for the calibration set, with taking into account the positive and negative dispersions between experimental and calculated values. The best model calculated with use the IIC is characterized (the validation set) by n?=?50, r²?=?0.947, RMSE?=?0.401 whereas, model calculated without use the IIC is characterized by n?=?50, r²?=?0.805, and RMSE?=?0.539. The suggested models are built up in accordance to five OECD principles.

     

Comparative analysis of the underground parts ofGentiana species by HPLC with diode-array and mass spectrometric detection

Summary The aim of this work was to compare the chemical composition of the underground parts (roots and rhizomes) ofGentiana cruciata L.,Gentiana pneumonanthe L., andGentiana asclepiadea L.— the three gentians native to Hungary—with that of the widely used stomachicGentiana lutea L., to determine which of the three Hungarian species could be used as a substitute forGentiana lutea in pharmaceutical preparations. The four gentians were compared by means of RPHPLC with diode-array detection (DAD) and electrospray ionization-mass spectrometric detection (ESI-MSD). The quantities of the lead compounds, the secoiridoid-glycosides, in 220 samples of the underground parts of gentians originating from several locations in Hungary, were determined by a more economical RPHPLC-DAD method. The occurrence of the characteristic compounds investigated—bitter principles and xanthones—in the underground parts of the speciesGentiana asclepiadea L. suggest it might be a potential replacement forGentiana lutea L. in pharmaceutical products. Presented at Balaton Symposium '01 on High-Performance Separation Methods, Siófok, Hungary, September 2–4, 2001     

微波法研制碱土金属氧化物负载型MCM-48碱性介孔材料

以立方相介孔分子筛MCM-48为载体,用微波辐射分散MgO或CaO和醋酸镁溶液浸渍等方法研制碱性介孔材料。MCM-48能经受微波辐射,负载碱性客体之后也保持介相结构。异丙醇分解探针反应表明:载体本身没有碱催化活性,而碱性MCM-48介孔材料的活性随温度升高而提高。本文还对介孔材料在微波分散和碱性催化方面的特点进行分析。     

Thermal decomposition of basic cobalt and copper carbonates

Basic cobalt and copper carbonates were prepared by precipitation from solutions of their nitrates using KHCO₃ at room temperature in CO₂ atmosphere. The thermal decomposition of the prepared basic carbonates was studied by means of TG and DTA techniques and the phases produced were identified by XRD measurements. The products obtained at 400C were subjected to different doses of gamma-rays (40–160 M rad) and the thermal stabilities of these solids were investigated.The results obtained revealed that basic cobalt carbonate decomposed at 335C to produce Co₃O₄ which remained stable up to 850 and then decomposed above this temperature giving CoO which transformed into Co₃O₄ on cooling to room temperature. Basic copper carbonate dissociated at 290C yielding CuO which yielded Cu₂O and metallic copper at 1060 and 1150C, respectively. However, the produced cuprous oxide and metallic copper solids were converted into CuO and CU₂O, respectively by cooling in air to room temperature.Gamma-irradiation decreased the thermal stability of Co₃O₄ to an extent proportional to the dose employed. On the other hand, this treatment increased the thermal stability of both CuO and Cu₂O.