Correlation analysis of cone calorimetry and microscale combustion calorimetry experiments

Flammability studies are conducted to evaluate the behavior of materials exposed to fire. In this study, microscale combustion calorimetry (MCC) and cone calorimetry methods were applied to acquire the flammability characteristics of red and grey extruded polystyrene (XPS) samples. To understand the effect of changes between parameters, Pearson’s correlation coefficient was used to examine their linear relationships. From the research, moderate and weak correlations were recorded between the total heat release rates from both methods for red and grey XPS, respectively. Plotting peak heat release rate against heat release temperature for MCC and ignition temperature for cone test showed that 25, 35 and 50 kW m^?2 incident heat fluxes of the cone test fall within 0.2 K s^?1 and 0.5 K s^?1 heating rates of MCC. Also, all the MCC parameters except char yield and total heat release presented good correlations with the cone calorimetry flammability characteristics. Hence, MCC could be used in conjunction with cone calorimetry to accurately and reliably assess the flammability of materials.

     

Catalytic enantioselective synthesis of optically active α-hydroxyl-β,γ-unsaturated acid esters as novel side chains of cerebrosides

Six optically active α-hydroxyl-β,γ-unsaturated acid esters 1a to 1f were synthesised, and they are significant moieties of the cerebrosides. The chiral intermediate alkynol 4 prepared by catalytic asymmetric addition had 99% ee, and which was converted into the target compounds 1a to 1f with high enantiomeric purity.     

Tissue distribution and excretion study of neopanaxadiol in rats by ultra‐performance liquid chromatography quadrupole time‐of‐flight mass spectrometry

Neopanaxadiol (NPD), a major ginsenoside in Panax ginseng C. A. Meyer (Araliaceae), was reported to have neuroprotective effect. In this study, a method of ultra‐performance liquid chromatography quadrupole time‐of‐flight mass spectrometry (UPLC/QTOF‐MS) was developed and validated for quantitative analysis of NPD in tissues, urine and feces, using liquid–liquid extraction (LLE) to isolate NPD from different biological samples, and chromatographic separation was performed on an Agilent Zorbax Stable Bond C₁₈ (2.1 × 50 mm, 1.8 µm) column with 0.1% formic acid in water and acetonitrile. All standard calibration curves were linear (all r² > 0.995) within the test range. After oral administration, NPD was extensively distributed to most of the tissues without long‐term accumulation. The higher levels were observed in stomach and intestine, followed by kidney and liver. Approximately 64.56 ± 20.32% of administered dose in feces and 0.0233 ± 0.0356% in urine were found within 96 h, which indicated that the major elimination route was fecal excretion. This analytical method was applied to the study of NPD distribution and excretion in rats after oral intake for the first time. The results we found here are helpful for us to understand the pharmacological effects of NPD, as well as its toxicity. Copyright © 2014 John Wiley & Sons, Ltd.     

Bioactive Chemical Constituents of Cercis chinensis

Chemistry of Natural Compounds -     

基于Matlab GUI的微观化学反应过程可视化设计

Based on the quasi-classical trajectory (QCT) method and Matlab GUI technology, we developed a program code for visualizing the collision process of the elementary chemical reactions of the a + bc type. The general methodology of QCT, abstraction of dynamical properties of molecular collisions and the making of Graphical User Interface are introduced. The running results of an application to the reaction F + HCl→HF + Cl is also presented. The results showed that this program could vividly demonstrate the behavior and final state of the atom-diatom collision process in animated form. Students can interact with internal MATLAB code through graphical user interface, observe the reactive behavior and final results in real-time from multiple angles, which helps students to understand the complex reaction mechanism and deepen their perceptual impression of the chemical process at a microscopic atomic/molecular level.