Simulation of humidity control and greenhouse temperature tracking in a growth chamber using a passive air conditioning unit

In this paper, we define a dynamic discrete model of a passive air conditioning unit, without the more typical compression or absorption-refrigeration cycle. The unit is composed of heat exchangers, a positioning system and humid corrugated pads. The aim of the study was to follow the temperature in a greenhouse and to replicate it with a desired and stable relative humidity in a ventilated growth chamber. A control law, based on a quadratic criterion and dynamic programming, taking output error and energy consumption minimisation into account, was used to control the behaviour of the unit in spite of air intake disturbances. The results of the simulation indicate that the air conditioning unit can produce a variable climate in the growth chamber, with a wide range of relative humidity setpoints.     

Small volume PCR in PDMS biochips with integrated fluid control and vapour barrier

In this paper we demonstrate a new method for microfabricating PDMS devices that controls vapour diffusion, thereby reducing water loss at elevated temperatures and greatly increasing the reliability of the PCR. In the past, the vapour and liquid diffusion properties of the PDMS material in microfluidic devices have impaired performance. We show that this water loss is primarily due to vapour diffusion from the PDMS biochip and by implanting a polyethylene vapour barrier layer in the PDMS, the overall fluid loss was almost eliminated (reduced by a factor of 3). We have also developed a procedure to ensure irreversible bonding between the PDMS and the implant. With this improved microfabrication method we demonstrate the feasibility and advantages of performing small volume PCR genetic amplification (i.e. with less than 2 μl of PCR sample) within a PDMS–glass hybrid biochip. Diaphragm pumps and pinch-off valves were integrated in the system and these enabled fluid retention during the amplification stage and will facilitate higher levels of on-chip automation.     

Elastic and optical properties of BeS,BeSe and BeTe under pressure

We have performed the first principles full-potential linearized augmented plane wave calculations (FP-LAPW) with density functional theory in local density approximations (LDA), in aim to determine and to predict the pressure dependence of structural and optical properties of zinc-blende BeS, BeSe and BeTe compounds. The elastic constant, refractive index and its variation with hydrostatic pressure are well described.     

Evaluation of sorbents for thiophene removal from liquid hydrocarbons

Thiophene is a commonly occurring sulfur compound in liquid hydrocarbon streams produced in a petroleum refinery. The concentration of thiophene often needs to be reduced to very low levels for most applications. Selective adsorption of thiophene is investigated in n-heptane, 1-octene and xylenes and their mixtures. A variety of adsorbents were tested for their selectivity and adsorption capacity. Improvements in adsorption capacity were attempted based on analysis of the adsorption mechanism. Adsorption capacity of NaX zeolite was found to be highest among tested adsorbents. However, competitive adsorption from xylenes reduced adsorption capacity for thiophene from mixtures containing large concentration of xylenes. Langmuir model is applied to describe observed competitive adsorption. Selective adsorption of organic sulfur compound could be used as a polishing step in a purification scheme which allows sulfur removal from hydrocarbons at low temperature and without the use of expensive hydrogen.     

In silico identification of novel inhibitors against Plasmodium falciparum dihydroorate dehydrogenase

Plasmodium falciparum causes the most fatal form of malaria and accounts for over 1 million deaths annually, yet currently used drug therapies are compromised by resistance. The malaria parasite cannot salvage pyrimidines and relies on de novo biosynthesis for survival. The enzyme dihydrooratate dehydrogenase (DHODH), a mitochondrial flavoenzyme, catalyzes the rate-limiting step of this pathway and is therefore an attractive anti-malarial chemotherapeutic target. In an effort to design new and potential anti-malarials, structure-based pharmacophore mapping, molecular docking, binding energy calculations and binding affinity predictions were employed in a virtual screening strategy to design new and potent P. falciparum dihydrooratate dehydrogenase (PfDHODH) inhibitors. A structure-based pharmacophore model was generated which consist of important interactions as observed in co-crystal of PfDHODH enzyme. The developed model was used to retrieve molecules from ChemBridge database, a freely available commercial database. A total of 87 molecules mapped on the modeled pharmacophore from the database. The retrieved hits were further screened by docking simulation, binding energy calculations and biding affinity predictions using genetic optimization for ligand docking (GOLD) and MOE. Based on these results, finally 26 chemo-types molecules were predicted as new, potential and structurally diverse PfDHODH inhibitors.     

肺癌组织中SOX4突变蛋白三级结构的建模及分析

SOX家族与很多人类肿瘤的发生有关.对人类肺癌组织中的SOX4进行测序,发现该基因HMG-box区有突变发生并导致SOX4蛋白的107密码子发生突变.以三级结构已知的SOX2为模板,采用同源建模方法对突变和正常SOX4蛋白FMG-box进行建模.结果显示突变和正常SOX4蛋白的三级结构很相似,且突变导致107密码子位置的侧链结构不稳定.提示该位置的不稳定可能会影响突变SOX4蛋白侧链的弹性,并有可能影响相应蛋白的功能.表面静电分析显示SOX4蛋白C端有一个可能与其它小分子或蛋白质的相互作用位点的N/C腔.这些结果显示SOX4蛋白的上述空间结构可能与其活性与功能的调控有关,而SOX4突变可能与肺癌的发生和转移有关.     

Monolithically integrated CoP nanowire array: An on/off switch for effective on-demand hydrogen generation via hydrolysis of NaBH<Subscript>4</Subscript> and NH<Subscript>3</Subscript>BH<Subscript>3</Subscript>

The issues of hydrogen generation and storage have hindered the widespread use and commercialization of hydrogen fuel cell vehicles.It is thus highly attractive,but the design and development of highly active non-noble-metal catalysts for on-demand hydrogen release from alkaline NaBH4 solution under mild conditions remains a key challenge.Herein,we describe the use of CoP nanowire array integrated on a Ti mesh (CoP NA/Ti) as a three-dimensional (3D) monolithic catalyst for efficient hydrolytic dehydrogenation of NaBH4 in basic solutions.The CoP NA/Ti works as an on/off switch for on-demand hydrogen generation at a rate of 6,500 mL/(min.g) and a low activation energy of 41 kJ/mol.It is highly robust for repeated usage after recycling,without sacrificing catalytic performance.Remarkably,this catalyst also performs efficiently for the hydrolysis of NH3BH3.     

Examining working memory load and congruency effects on affordances and conventions

Although there is a debate about whether designers should draw a distinction between perceptual affordances and cultural conventions, there are few behavioral studies. We examined the impact of working memory load and expected button-to-action mapping congruency on affordances and conventions. The findings suggest both sides of the debate are correct. Learned conventions were found to structure responses towards expected actions, just like affordances, but affordance-based interactions were not affected by memory load while convention-based actions were. Therefore, designers ought to employ perceptual affordances when possible and when not feasible they ought to reuse established conventions. Additionally, evidence is presented that violating expected affordance-based and convention-based button-to-action mappings caused a similar performance cost. We believe that after the initial learning period, conventions play a critical role in the perception of a design’s available actions just as perceptual affordances do.