A simulation as a service cloud middleware

Many seemingly simple questions that individual users face in their daily lives may actually require substantial number of computing resources to identify the right answers. For example, a user may want to determine the right thermostat settings for different rooms of a house based on a tolerance range such that the energy consumption and costs can be maximally reduced while still offering comfortable temperatures in the house. Such answers can be determined through simulations. However, some simulation models as in this example are stochastic, which require the execution of a large number of simulation tasks and aggregation of results to ascertain if the outcomes lie within specified confidence intervals. Some other simulation models, such as the study of traffic conditions using simulations may need multiple instances to be executed for a number of different parameters. Cloud computing has opened up new avenues for individuals and organizations with limited resources to obtain answers to problems that hitherto required expensive and computationally-intensive resources. This paper presents SIMaaS, which is a cloud-based Simulation-as-a-Service to address these challenges. We demonstrate how lightweight solutions using Linux containers (e.g., Docker) are better suited to support such services instead of heavyweight hypervisor-based solutions, which are shown to incur substantial overhead in provisioning virtual machines on-demand. Empirical results validating our claims are presented in the context of two case studies.     

Evaluation of novel ZnO–Ag cathode for CO2 electroreduction in solid oxide electrolyser

CO₂ and steam/CO₂ electroreduction to CO and methane in solid oxide electrolytic cells (SOEC) has gained major attention in the past few years. This work evaluates, for the very first time, the performance of two different ZnO–Ag cathodes: one where ZnO nanopowder was mixed with Ag powder for preparing the cathode ink (ZnO_mix–Ag cathode) and the other one where Ag cathode was infiltrated with a zinc nitrate solution (ZnO_inf –Ag cathode). ZnO_mix–Ag cathode had a better distribution of ZnO particles throughout the cathode, resulting in almost double CO generation while electrolysing both dry CO₂ and H₂/CO₂ (4:1 v/v). A maximum overall CO₂ conversion of 48% (in H₂/CO₂) at 1.7 V and 700 °C clearly indicated that as low as 5 wt% zinc loading is capable of CO₂ electroreduction. It was further revealed that for ZnO_inf –Ag cathode, most of CO generation took place through RWGS reaction, but for ZnO_mix–Ag cathode, it was the synergistic effect of both RWGS reaction and CO₂ electrolysis. Although ZnO_inf –Ag cathode produced trace amount of methane at higher voltages, with ZnO_mix–Ag cathode, there was absolutely no methane. This seems to be due to strong electronic interaction between Zn and Ag that might have suppressed the catalytic activity of the cathode towards methanation.

     

Exploration of a Cheaper Carbon Source for Extracellular β-glucosidase Synthesis from <Emphasis Type="Italic">Debaryomyces pseudopolymorphus</Emphasis> NRRL YB-4229

In the present work, interactions between common media components and fermentation conditions were explored to come up with a simple media recipe for extracellular β-glucosidase (Dβ-gl) synthesis from Debaryomyces pseudopolymorphus to substitute cellobiose, which is currently used as a sole carbon source. Taguchi L₂₅ orthogonal array design was used to screen factors influencing Dβ-gl synthesis (carbon, organic nitrogen, inorganic nitrogen, trace elements, inoculum volume, and fermentation time). A significant influence of xylose, peptone, and potassium nitrate as carbon, organic nitrogen, and inorganic nitrogen sources, respectively, on Dβ-gl synthesis was identified by Taguchi. These factors were further optimized using central composite rotatable design (CCRD) of response surface methodology (RSM). The results showed that in the range studied, potassium nitrate had insignificant effect while xylose, peptone, and xylose-peptone interaction had a significant effect on Dβ-gl synthesis. Peptone/xylose ratio of 1.33 was found to be an important parameter for inducing Dβ-gl synthesis. The regression coefficient (R ²) of 0.915 and P value of <0.0003 for the model indicated that it was highly significant. The maximum activity obtained after RSM (32.2 U/ml) was comparable with that obtained (68.8 U/ml) when cellobiose (20 g/l) was used as a sole carbon source. Considering the cost difference between xylose and cellobiose, a 16-fold cost reduction could be obtained for equivalent Dβ-gl yield. Fed-batch fermentations were carried out wherein peptone/xylose ratio of 1.33 was maintained and continuous Dβ-gl synthesis was observed.     

Novel ozone-mediated cleavage of the benzhydryl protecting group from aziridinyl esters

[reaction: see text]. N-Benzhydryl aziridines-2-carboxylates can be readily obtained from the catalytic asymmetric aziridination reaction from N-benzhydrylimines and ethyl diazoacetate. Cleavage of the benzhydryl group by hydrogenolysis leads to ring opening when R = aryl. Surprisingly, ozone will selectively oxidize the benhydryl group in these aziridines even when R is an aryl group. This allows for a new deprotection strategy for these aziridines whose generality is explored.     

Novel label-free DNA sensors based on poly(3,4-ethylenedioxythiophene)

We report on the design and development of a novel label-free DNA sensor based on conducting poly(3,4-ethylenedioxythiophene) for the direct detection and quantification of target ssDNA.     

Cavity cluster approach for quantification of cavitational intensity in sonochemical reactors

The mechanism involved in the spectacular effects from cavitation phenomenon is very complex and there have been several proposed theories to explain the observed results. The experimental as well as the visual observations indicate that a single collapsing cavity is also influenced by the dynamics of the surrounding cavities, which are very near to the collapsing cavity. The observed effects and erosion patterns cannot be explained properly on the basis of a single cavity collapse and hence in this study a cavity cluster (group of cavities) has been considered to understand the mechanism of cavitational effects. The effect of intensity, frequency of ultrasound, initial size of the cluster and the fraction of energy transferred from the collapsing cavities to the surrounding cavities on the cavitational intensity quantified in terms of the pressure pulse generated at the collapse of cavities as well as the active zone of cavitation has been investigated using bubble/cavity dynamics equations, numerically. On the basis of the trends obtained, empirical correlations estimating the collapse pressure and active volume of cavitation, have been developed.     

Palladium nanoparticles/wool keratin-assisted carbon composite-modified flexible and disposable electrochemical solid-state pH sensor

Several p H-dependent processes and reactions take place in the human body;hence,the p H of body fluids is the best indicator of disturbed health conditions.However,accurate and real-time diagnosis of the p H of body fluids is complicated because of limited commercially available p H sensors.Hence,we aimed to prepare a flexible,transparent,disposable,userfriendly,and economic strip-based solid-state p H sensor using palladium nanoparticles(Pd NPs)/N-doped carbon(NC)composite material.The Pd NPs/NC composite material was synthesized using wool keratin(WK)as a precursor.The insitu prepared Pd NPs played a key role in the controlled switching of protein structure to the N-doped carbon skeleton withπ–πarrangement at the mesoscale level,which mimics the A–B type polymeric structure,and hence,is highly susceptible to H+ions.The optimized carbonization condition in the presence of Pd NPs showed that the material obtained using a modified Ag/Ag Cl reference electrode had the highest p H sensitivity with excellent stability and durability.The optimized p H sensor showed high specificity and selectivity with a sensitivity of 55 m V/p H unit and a relative standard deviation of 0.79%.This study is the first to synthesize Pd NPs using WK as a stabilizing and reducing agent.The applicability of the sensor was investigated for biological samples,namely,saliva and gastric juices.The proposed protocol and material have implications in solid-state chemistry,where biological material will be the best choice for the synthesis of materials with anticipated performance.