对氯苯甲酸合成方法的改进

对在钴、锰的溴化物的作用下，用空气氧化对氯甲苯合成对氯苯甲酸的方法进行了研究，分析了反应条件对合成的影响。该合成方法易于推广、产率高，污染小。     

邻苯二酚清洁合成方法的研究进展

综述了邻苯二酚的合成方法及工艺路线，比较了传统合成方法与近二十年来开发的清洁合成方法之间的优缺点，重点阐述了近期新开发的两种清洁合成方法，即苯酚羟基化法和1，2—环己二醇催化脱氢法合成邻苯二酚，并对这两种合成过程所使用的催化剂及其进展做了探讨；最后对邻苯二酚的工业化合成路线及方法进行了展望。     

对氯苯甲醛的合成方法

综述了对氯苯甲醛的合成方法、用途及国内外市场现状，重点阐述了对氯苯甲醛的一系列合成方法，研究了对氯甲苯的氯化催化水解法与直接氧化法及对硝基甲苯的氧化还原法的工艺条件，指出了其相应的合成方法在工业开发上的可行性及存在的问题。通过对几种合成方法的比较得知，对硝基甲苯的氧化还原法因其原料价廉、产品收率高、质量好，且操作简便等优点，具有良好的应用开发前景。     

羟胺的应用及合成方法研究进展

羟胺是一种重要的中间体，是合成尼龙-6单体己内酰胺的重要原料。文章对羟胺的物理和化学性质，用途及其3种工业上主要的合成方法进行了总结评述，并对种合成方法分别进行了评价，指出了各自的优缺点。最后展望了羟胺未来的合成方向，提出了合成羟胺的最经济、最环保、最有效的合成路线并尝试在催化剂的制备上做一些改进和提高。     

2,6-二氯苯甲醛的合成研究现状

总结了2，6－二氯苯甲醛的合成方法，包括近期的合成研究进展，对一些合成方法的优缺点作了评述。     

稻壳制备白炭黑

以稻壳、氢氧化钠、硫酸和盐酸为原料合成了白炭黑，考察了合成方法、反应温度、加料方式等因素对样品质量的影响，确定了适宜的合成工艺条件。     

邻硝基苯甲醛合成方法概述

对邻硝基苯甲醛的合成方法及路线作了简要介绍和评价，认为电合成方法是一种有效的、绿色的、具有广阔应用前景的合成方法。     

粉煤灰合成沸石的新发展及应用

阐述了利用粉煤灰合成沸石的基本机理，并介绍了传统水热合成法、碱熔融-水热合成法、盐-热（熔-盐）合成法等粉煤灰合成沸石的方法和其最新发展，以及利用传统的水热合成法将粉煤灰合成沸石的工业化应用情况，对粉煤灰合成沸石的应用途径和前景进行了探讨和展望。     

手性扁桃酸合成的研究进展

本文对手性扁桃酸的不对称合成法、生物合成法、光学异构体拆分3种合成方法进行了较详细叙述，并对不同的合成方法进行了比较分析。     

干融法合成四磺酸酞菁钴

在传统生产工艺方法的基础上，利用干融法合成了四磺酸酞菁钴(CoPc)。比较详细地探讨了反应原料配比、反应温度、升温速率等条件对合成产物的影响，同时对产物的精制方法进行了改进。结果表明：利用该生产工艺方法合成四磺酸酞菁钴，收率可达90％—92％，生产时间大大缩短，并可降低劳动强度。     

Improving the tensile strength of carbon nanotube spun yarns using a modified spinning process

A modified process for the dry spinning of carbon nanotube (CNT) yarn is reported. The approach gives an improved structure of CNT bundles in the web drawn from the CNT forest and in the yarn produced from the twisted web leading to improved mechanical properties of the yarn. The process enables many different mechanical and physical treatments to be applied to the individual stages of the pure CNT spinning system, and may allow potential for the development of complex spinning processes such as polymer-CNT-based composite yarns. The tensile strength and yarn/web structure of yarn spun using this approach have been investigated and evaluated using standard tensile testing methods along with scanning electron microscopy. The experimental results show that the tensile properties were significantly improved. The effect of heat treatments and other yarn constructions on the tensile properties are also reported.     

直接熔融复合制备聚酰胺6／未改性蒙脱土纳米复合材料

在普通双螺杆挤出机上，基于未改性蒙脱土和聚酰胺6的直接熔融复合制备了纳米复合材料。通过插层剂的合理选择及不同插层剂的复配使用，可以得到具有插层刷离分散形态的聚酰胺6／未改性蒙脱土纳米复合材料。力学性能测试结果表明，有可能通过在聚酰胺6／未改性蒙脱土复合体系中插层剂的选择与调配实现同时增加聚酰胺6基体的强度和韧性的目的。在特定的插层剂复配条件下，复合材料的弯曲强度较基体增加20％，弯曲模量增加29％，同时干态冲击强度的增幅达70％以上。此外，还讨论了聚酰胺6／未改性蒙脱土复合体系的动态力学行为和流变性能。     

A multiple model,state feedback strategy for robust control of non-linear processes

The major limitation of reported multiple model approaches is that robustness against process/controller disturbances cannot be addressed for processes consisting of hybrid stable/unstable regimes, or with chaotic dynamics. In this paper, a significantly modified multiple model approach is developed to achieve robust control with global stability. The new advances include: (1) stabilization of open-loop unstable plants using a state feedback strategy, (2) incorporation of an adjustable pre-filter to achieve offset-free control, (3) implementation of a Kalman filter for state estimation, and (4) connection of the multiple model approach with non-linear model predictive control to achieve a precise control objective. The improved controller design method is successfully applied to two non-linear processes with different chaotic behaviour. Compared with conventional methods without model modifications, the new approach has achieved significant improvement in control performance and robustness with a dramatically reduced number of local models.     

Prediction Models for Agonists and Antagonists of Molecular Initiation Events for Toxicity Pathways Using an Improved Deep-Learning-Based Quantitative Structure–Activity Relationship System

In silico approaches have been studied intensively to assess the toxicological risk of various chemical compounds as alternatives to traditional in vivo animal tests. Among these approaches, quantitative structure–activity relationship (QSAR) analysis has the advantages that it is able to construct models to predict the biological properties of chemicals based on structural information. Previously, we reported a deep learning (DL) algorithm-based QSAR approach called DeepSnap-DL for high-performance prediction modeling of the agonist and antagonist activity of key molecules in molecular initiating events in toxicological pathways using optimized hyperparameters. In the present study, to achieve high throughput in the DeepSnap-DL system–which consists of the preparation of three-dimensional molecular structures of chemical compounds, the generation of snapshot images from the three-dimensional chemical structures, DL, and statistical calculations—we propose an improved DeepSnap-DL approach. Using this improved system, we constructed 59 prediction models for the agonist and antagonist activity of key molecules in the Tox21 10K library. The results indicate that modeling of the agonist and antagonist activity with high prediction performance and high throughput can be achieved by optimizing suitable parameters in the improved DeepSnap-DL system.     

Refinement and testing of the drift-flux model for indoor aerosol dispersion and deposition modelling

The drift-flux approach for predicting aerosol deposition within enclosed spaces has been refined and implemented within a commercial computational fluid dynamics (CFD) solver. The drift-flux model is tested against a previously reported study of aerosol deposition within a ventilated chamber to illustrate the performance of the approach for unsteady particle concentrations. The model has been made more general by accounting for deposition to surfaces at any angle to the gravitational vector. The algorithms for the calculation of the deposition velocity have been revised to offer improved precision. The model shows good performance when compared with the measured particle concentration decay rates. Comparison with well-mixed models shows obvious differences from the measured and drift-flux CFD approach. The dependence of point concentration measurements of decay rates on sampling time is explored and the limitations for estimating steady-state deposition behaviour are highlighted. An important aspect of aerosol ventilation of incompletely mixed enclosed spaces is illustrated. The drift-flux approach is shown to perform very well at reproducing the unsteady particle concentration decay observed.     

The use of metal‐containing monomer in the preparation of molecularly imprinted polymer to increase the adsorption capacity

Molecular imprinting is an elegant approach to induce antibody like recognition ability in synthetic polymers. The technique of molecular imprinting has been used extensively in the preparation of tailor‐made stationary phases in chromatography, sorbents in solid phase extraction, sensor elements, etc. Though several of the reported molecularly imprinted polymers (MIPs) possess substrate selectivity comparable to antibodies, they are poor in adsorption capacity. The adsorption capacity could be improved presumably through enhanced interaction between the functionalities of the monomers and the print molecule. A simple approach to improve the interaction is perhaps the use of chemically modified monomers in the synthesis of the MIPs. This article explores this possibility by using a metal‐containing monomer in the synthesis of MIP. The data obtained using a copper acrylate based MIP and cholesterol as substrate indicates the adsorption capacity can be improved considerably through the simple chemical modification of the functional monomer. © 2001 John Wiley & Sons, Inc. J Appl Polym Sci 80: 2795–2799, 2001     

A novel failure analysis of multi-walled carbon nanotubes in epoxy matrix

The failure analysis of reinforcing elements is of great significance to understand the structure-property relationship in polymer composites. Herein, we reported an improved methodology to ascertain and contrast the failure modes from one pair of homologous fracture surfaces of multi-walled carbon nanotubes (MWCNTs)/epoxy samples at high-magnification using scanning electron microscopy. Three possible failure modes of MWCNTs, i.e. pullout, immediate fracture and sliding-fracture, were proposed to account for the fractographic observation. Based on this approach, the failure modes of MWCNTs before and after surface modification were quantitatively discussed.     

Microwave-assisted synthesis of water-dispersed CdTe/CdSe core/shell type II quantum dots

A facile synthesis of mercaptanacid-capped CdTe/CdSe (core/shell) type II quantum dots in aqueous solution by means of a microwave-assisted approach is reported. The results of X-ray diffraction and high-resolution transmission electron microscopy revealed that the as-prepared CdTe/CdSe quantum dots had a core/shell structure with high crystallinity. The core/shell quantum dots exhibit tunable fluorescence emissions by controlling the thickness of the CdSe shell. The photoluminescent properties were dramatically improved through UV-illuminated treatment, and the time-resolved fluorescence spectra showed that there is a gradual increase of decay lifetime with the thickness of CdSe shell.     

Pharmacokinetic Studies around the Mono‐ and Difunctionalization of a Bioavailable Cyclic Decapeptide Scaffold

We previously reported the design of several cyclic decapeptides based on a generic scaffold that achieved favorable oral bioavailability and exposure. With the goal to further investigate the potential of this approach, we describe herein the effect of mono‐ and difunctionalization of this scaffold. A series of cyclic decapeptides were therefore subjected to a range of in vitro assays and pharmacokinetic (PK) studies to investigate whether the introduction of polar or charged groups could be tolerated by the “engineered” scaffold while maintaining good PK profiles. Whereas the introduction of charged amino acids proved—besides maintaining low clearance—to conceal the inherent PK properties of the scaffold, the introduction of polar amino acids (i.e., threonine and pyridyl alanine) led to several cyclic decapeptides exhibiting excellent PK profiles together with a solubility that was significantly improved relative to that of previously reported cyclic decapeptides.     

Fabrication and characterization of hybrid coating on Mg–Zn–Ca Mg alloy for enhanced corrosion and degradation resistance as medical implant

Magnesium (Mg)-based alloys have appealing properties as promising implants for medical applications. However, their clinical applications are hindered due to the rapid corrosion and degradation rate in the physiological environment. In this investigation, we reported a novel interfacial engineering approach for the fabrication of polymer/ceramic hybrid coating on Mg–Zn–Ca Mg alloy. Firstly, hydroxyapatite (HA) coating was fabricated on the Mg–Zn–Ca sample followed by an alkali treatment that was performed in 1 M NaOH solution at 60 °C. Finally, polycaprolactone (PCL) coating was synthesized using a dip-coating approach on the top of the HA-coated Mg–Zn–Ca specimen. Microhardness test and adhesion test revealed that PCL/HA hybrid coating significantly improved mechanical properties and enhanced biointerface property between the substrate and coating. The immersion tests showed that the hybrid coating considerably slowed down the degradation in the simulated body fluid (SBF) solution. In addition, in vitro electrochemical investigations confirmed that PCL/HA coating significantly improved corrosion resistance and greatly reduced corrosion rate by about 10 times compared to HA coating and about 900 times to untreated Mg–Zn–Ca sample. Moreover, cytotoxicity assessment exhibited PCL/HA hybrid coating enhanced biocompatibility and bioactivity due to adopting a suitable interfacial engineering approach.