Gravimetric studies of the sorption of toluene and propanol by copper phthalocyanines

Sorption isotherms of toluene and n-propanol were determined at 25°C on well-characterised samples of the α and β forms of copper phthalocyanines, the measurements being made with a Cahn RG electrobalance and a McBain-Bakr spring balance. A study of sorption hysteresis was undertaken with each solid—vapour system. The work demanded reliability of instrumentation for the measurement of small changes in mass over long periods of time (up to several months).The toluene isotherm data obtained with the sample of β-copper phthalocyanine appear to be fairly straightforward to interpret: the solid—vapour interaction is relatively weak and hysteresis is confined to the capillary condensation range. On the other hand, the sample of α-copper phthalocyanine underwent considerable ageing when exposed to toluene vapour; the toluene isotherms show low-pressure hysteresis and indicate strong solid—vapour interaction.The initial n-propanol adsorption isotherms on the β-copper phthalocyanine is Type III in character, but desorption resulted in the strong retention of alcohol molecules at very low pressure. The uptake of n-propanol by the α-copper phthalocyanine was much larger than that given by the β form and appreciable ageing occurred on exposure of the sample to n-propanol vapour.These results reveal that the β-copper phthalocyanine sample was more stable when exposed to toluene or n-propanol than the α form (although the original surface areas were similar). Toluene adsorption appears to be restricted to the crystal surface of the β-copper phthalocyanine, whereas the sorption of toluene and n-propanol by the α form involves penetration within the pigment aggregates. The irreversible sorption of n-propanol may be partly due to slow intercalation.     

用镍硅氧化物源横向诱导晶化的多晶硅薄膜

采用磁控溅射法,以镍硅合金为靶,制备了一种适用于金属诱导横向晶化的氧化物镍源——自缓释镍源.该镍源在内部构成和晶化现象上都不同于纯金属镍源.采用该镍源制备低温多晶硅材料,晶化速率不明显依赖于镍源薄膜的厚度,且晶化多晶硅膜内的残余镍量亦可有效降低,可为薄膜晶体管提供宽的工艺窗口.本文对用纯金属镍源所得多晶硅薄膜的晶化率、表面粗糙度、电学特性等与溅射条件的关系进行了研究,并对相应结果进行了讨论. 关键词： 自缓释 金属诱导横向晶化 多晶硅薄膜 低温制备与退火     

用镍硅氧化物源横向诱导晶化的多晶硅薄膜

采用磁控溅射法,以镍硅合金为靶,制备了一种适用于金属诱导横向晶化的氧化物镍源——自缓释镍源.该镍源在内部构成和晶化现象上都不同于纯金属镍源.采用该镍源制备低温多晶硅材料,晶化速率不明显依赖于镍源薄膜的厚度,且晶化多晶硅膜内的残余镍量亦可有效降低,可为薄膜晶体管提供宽的工艺窗口.本文对用纯金属镍源所得多晶硅薄膜的晶化率、表面粗糙度、电学特性等与溅射条件的关系进行了研究,并对相应结果进行了讨论.     

Influence of an interface layer on the effective coupling at a ferromagnet/antiferromagnet interface

We examine the exchange anisotropy induced at a ferromagnetic/antiferromagnetic interface when an antiferromagnetic interface layer exists. We show that competition between exchange couplings in the interface layer can result in a ferrimagnetic-like compensation point. This leads to a reversal of the effective field acting on the ferromagnet, and a consequent sign change of the exchange bias for temperatures near the Néel temperature of the antiferromagnet. A surprising result is the sensitive dependence of the compensation point on exchange interactions. Even minute modifications of the exchange interactions near the interface can result in a reversal of the effective field, provided certain conditions are met.     

Integration of indifference-zone with multi-objective computing budget allocation

In this paper, we consider how to address the issues of having designs with close performance in the multi-objective ranking and selection (MORS) problem. To resolve this issue we propose integrating the indifference-zone (IZ) concept into the multi-objective computing budget allocation (MOCBA) framework. In particular, when IZ is introduced into the MOCBA framework, we address how to determine the probability of non-dominance, how to define the Pareto set, and how to derive allocation rules for the simulation replications. Empirical results show that the MOCBA framework with IZ can significantly save simulation budget when designs to be compared have close performance.     

Synthesis of, light emission from, and optical power limiting in soluble single-walled carbon nanotubes functionalized by disubstituted polyacetylenes

Single-walled carbon nanotubes are covalently functionalized by conjugated polyacetylenes through their cyclization reactions with poly(1-phenyl-1-alkyne) and poly(diphenylacetylene) derivatives carrying azido functional groups at the ends of their alkyl pendants. The resultant polyene nanotube addends are soluble in common solvents, emit intense visible lights and strongly attenuate the power of harsh laser pulses.     

Cationic Poly([R]‐3‐hydroxybutyrate) Copolymers as Antimicrobial Agents

Poly([R]‐3‐hydroxybutyrate) (PHB), a natural biodegradable polyester, has attracted much attention as a new biomaterial because of its sustainability and good biocompatibility. In this study, it is discovered that PHB can be conveniently functionalized to obtain a number of platform chain architectures that may provide a wide range of functional copolymers. In a transesterification reaction, linear (di‐hydroxylated) and star shaped (tri‐ and tetra‐hydroxylated) PHB oligomers are synthesized, followed by copolymerization with 2‐(dimethylamino)ethyl methacrylate and quaternization with benzyl bromide to afford antimicrobial properties. The antimicrobial activities of the quaternary salts against clinically relevant pathogens on the interactions with outer and cytoplasmic membranes, lethal mechanisms, multipassage resistance, and synergy effect with antibiotics are investigated. Cationic PHB copolymers show effectiveness as antimicrobial agents, with minimum inhibitory concentration values 0.24–0.65 µm (or µmol dm^?3) (or 32–128 µg mL^?1) against Gram‐positive and Gram‐negative bacteria. Modifying the copolymer architectures into star shapes results in enhanced effectiveness to disrupt the membrane integrity. Synergistic effects are attained for all the quaternized PHB derivatives when they are used together with tobramycin. Multipassage resistance does not occur in both the linear and star derivatives against Gram‐negative bacteria after 20 passages.     

Multilevel fast multipole algorithm for acoustic wave scattering by truncated ground with trenches

The multilevel fast multipole algorithm (MLFMA) is extended to solve for acoustic wave scattering by very large objects with three-dimensional arbitrary shapes. Although the fast multipole method as the prototype of MLFMA was introduced to acoustics early, it has not been used to study acoustic problems with millions of unknowns. In this work, the MLFMA is applied to analyze the acoustic behavior for very large truncated ground with many trenches in order to investigate the approach for mitigating gun blast noise at proving grounds. The implementation of the MLFMA is based on the Nystrom method to create matrix equations for the acoustic boundary integral equation. As the Nystrom method has a simpler mechanism in the generation of far-interaction terms, which MLFMA acts on, the resulting scheme is more efficient than those based on the method of moments and the boundary element method (BEM). For near-interaction terms, the singular or near-singular integrals are evaluated using a robust technique, which differs from that in BEM. Due to the enhanced efficiency, the MLFMA can rapidly solve acoustic wave scattering problems with more than two million unknowns on workstations without involving parallel algorithms. Numerical examples are used to demonstrate the performance of the MLFMA with report of consumed CPU time and memory usage.     

Multi-targeted molecular docking,drug-likeness and ADMET studies of derivatives of few quinoline- and acridine-based FDA-approved drugs for anti-breast cancer activity

Structural Chemistry - Quinoline- and acridine-based drugs are widely used as anti-breast cancer agents. These drugs act through various mechanisms of action; for example, neratinib acts on...     

DSA、CTA联合MR影像评估AIS患者脑支循环及预后性关系

探讨数字减影血管成像(DSA)、计算机断层扫描血管成像(CTA)联合磁共振(MR)影像评估急性缺血性卒中(AIS)患者脑支循环及预后性关系。选取60例大脑中动脉M1段急性闭塞所致AIS患者为研究对象,根据DSA、CTA与MR影像对其脑侧支循环评估,比较患者基线资料、结局指标等,并分析预后性。结果发现:基于DSA、CTA与MR影像对AIS患者脑侧支循环评估结果一致性良好;3种影像模式下脑侧支循环良好组与不良组结局资料差异显著(P<0.05);多因素分析显示,FVH-ASPECTS评分、rLMC评分、ASITN/SIR分级量表均为AIS患者神经功能预后的独立影响因素。总之,DSA、CTA、MR影像对AIS患者脑侧支循环评估具有一致性,且FVH-ASPECTS评分、rLMC评分、ASITN/SIR分级量表均为AIS患者神经功能预后的独立影响因素。