Investigation of the limitations of saturated fractional factorial experimental designs,with confounding effects for an HPLC ruggedness test

Summary Recently much attention has been directed to the validation of analytical methods. The level of validation will depend on the method application. If a method is developed for general use, for instance by different analysts, instruments or laboratories, then the effect of these changes need evaluation. This is normally referred to as ruggedness testing, where the limitations of the method to changes in the specified conditions are examined.This paper examines the use of Plackett-Burman fractional factorial experiment designs for ruggedness testing in high performance liquid chromatography (HPLC). The ability of these designs to identify confounding effects is applied to the stability indicating analysis of Salbutamol and its major degradation product, AH4045. The results show that confounding effects, proving extremely pertinent to HPLC, can be identified.The assay proved rugged to most tested changes although not to the use of column packing material from different manufacturers.     

基于开关控制的兴趣实验设计

设计了开关控制实验,专门对常见的开关特点及使用进行探讨,根据开关特点搭建相应的控制电路,用近似于工程项目的形式锻炼学生对开关的灵活应用,激发了学生实验的兴趣和积极性.     

L-脯氨酸催化的不对称Aldol缩合反应实验设计

介绍了L-脯氨酸催化的对硝基苯甲醛与丙酮的不对称Aldol反应的实验设计。室温反应2 h后，柱层析得到（R）-4-（4-硝基苯基）-4-羟基-2-丁酮，利用手性高效液相色谱测试得到产物的ee值。学生实验结果显示，收率范围为53%~74%，对映选择性范围为62%~69%。本实验方案将Aldol反应的研究成果设计成综合性实验，不仅强化训练了学生基本的实验技能和操作，同时拓宽了知识面，培养了学生分析问题、解决问题等方面的综合能力。     

Influences of aerodynamic loads on hunting stability of high-speed railway vehicles and parameter studies

The influences of steady aerodynamic loads on hunting stability of high-speed railway vehicles were investigated in this study.A mechanism is suggested to explain the change of hunting behavior due to actions of aerodynamic loads：the aerodynamic loads can change the position of vehicle system（consequently the contact relations）,the wheel/rail normal contact forces,the gravitational restoring forces/moments and the creep forces/moments.A mathematical model for hunting stability incorporating such influences was developed.A computer program capable of incorporating the effects of aerodynamic loads based on the model was written,and the critical speeds were calculated using this program.The dependences of linear and nonlinear critical speeds on suspension parameters considering aerodynamic loads were analyzed by using the orthogonal test method,the results were also compared with the situations without aerodynamic loads.It is shown that the most dominant factors a ff ecting linear and nonlinear critical speeds are different whether the aerodynamic loads considered or not.The damping of yaw damper is the most dominant influencing factor for linear critical speeds,while the damping of lateral damper is most dominant for nonlinear ones.When the influences of aerodynamic loads are considered,the linear critical speeds decrease with the rise of cross wind velocity,whereas it is not the case for the nonlinear critical speeds.The variation trends of critical speeds with suspension parameters can be significantly changed by aerodynamic loads.Combined actions of aerodynamic loads and suspension parameters also a ff ect the critical speeds.The effects of such joint action are more obvious for nonlinear critical speeds.     

Deflagration-to-detonation transition process for spherical aluminum dust/epoxypropane mist/air mixtures in a large-scale experimental tube

The deflagration-to-detonation transitions (DDTs) for clouds of spherical aluminum dust (SAD) mixed with air or epoxypropane mist (EPM) and air were investigated in a 29.6-m-long experimental tube of 199 mm in diameter. The clouds formed through the injection of SAD and SAD/liquid epoxypropane samples into the experimental tube. Explosions of the SAD/air mixture were initiated using a 7-m-long EPM/air cloud explosion ignited by a 40-J electric spark. Explosions in SAD/EPM/air clouds were initiated using a 1...     

Synthesis of Depo‐Medrol–chitosan hydrogel as new drug slow‐release appliance and investigation of release kinetics by high‐performance liquid chromatography

The present study deals with preparation and optimization of a novel chitosan hydrogel‐based matrix by suspension cross‐linking method for controlled release of Depo‐Medrol. The controlled release of Depo‐Medrol for effective Rheumatoid arthritis disease has become an imperative field in the drug delivery system. In this context, it was intended to optimize loading circumstances by experimental design and also study the release kinetics of Depo‐Medrol entrapped in the chitosan matrix in order to obtain maximal efficiency for drug loading. The optimum concentrations of chitosan (2.5 g), glutaraldehyde (3.05 μL) and Depo‐Medrol (0.1 mg) were set up to achieve the highest value of drug loaded and the most sustained release from the chitosan matrix. In vitro monitoring of drug release kinetic using high‐performance liquid chromatography showed that 73% of the Depo‐Medrol was released within 120 min, whereas remained drug was released during the next 67 h. High correlation between first‐order and Higuchi's kinetic models indicates a controlled diffusion of Depo‐Medrol through the surrounding media. Moreover, recovery capacity >82% and entrapment efficiency of 58–88% were achieved under optimal conditions. Therefore, the new synthesized Depo Medrol–chitosan is an applicable appliance for arthritis therapy by slow release mechanism. Copyright © 2016 John Wiley & Sons, Ltd.     

基于马尔可夫决策过程的医疗检查预约优化模型

医技部门的医疗检查如电子计算机断层扫描（CT）、核磁共振成像设备（MRI）、X射线（X－rays）常常有如下三种病人类型：门诊病人、住院病人和急诊病人。针对不同病人类型的需求特点，运用马尔可夫决策过程原理和动态规划方法，建立了医疗检查设备的预约优化模型，并证明了模型的最优性质，得出了不同病人类型的最优预约策略。数值算例的结果表明：本文的预约策略不仅易于实施，而且，通过该模型获得的最大收益比按传统先来先预约的模式所获得的收益要大。     

材料表征方法理论与实践课程的改革与建设*

通过与超星专业慕课制作团队合作搭建网络教学平台,将线上慕课教学与线下实验教学相结合,对材料表征方法理论与实践课程进行了全方位的改革。与传统实验教学相比,改革后的课程不仅能够激发学生的学习兴趣,实现时间空间的相对自由,还可以完善考核机制,提升教学质量,从而为高校化学研究生实验课程的改革提供一定的借鉴意义。     

立体化学在有机化学中的重要地位——中国化学奥林匹克竞赛理论试题分析

分析2015-2017年中国化学奥林匹克竞赛（初赛、决赛）理论部分试题，发现有机化学试题中立体化学相关内容备受命题者的青睐，凸显了立体化学在有机化学中的重要地位。     

QUANTIS: Data quality assessment tool by clustering analysis

Automatically generated kinetic networks are ideally validated against a large set of accurate, reproducible, and easy-to-model experimental data. However, although this might seem simple, it proves to be quite challenging. QUANTIS, a publicly available Python package, is specifically developed to evaluate both the precision and accuracy of experimental data and to ensure a uniform, quick processing, and storage strategy that enables automated comparison of developed kinetic models. The precision is investigated with two clustering techniques, PCA and t-SNE, whereas the accuracy is probed with checks for the conservation laws. First, the developed tool processes, evaluates, and stores experimental yield data automatically. All data belonging to a given experiment, both unprocessed and processed, are stored in the form of an HDF5 container. The demonstration of QUANTIS on three different pyrolysis cases showed that it can help in identifying and overcoming instabilities in experimental datasets, reduce mass and molar balance closure discrepancies, and, by evaluating the visualized correlation matrices, increase understanding in the underlying reaction pathways. Inclusion of all experimental data in the HDF5 file makes it possible to automate simulating the experiment with CHEMKIN. Because of the employed InChI string identifiers for molecules, it is possible to automate the comparison experiment/simulation. QUANTIS and the concepts demonstrated therein is a potentially useful tool for data quality assessment, kinetic model validation, and refinement.