Macroscopic and Microscopic Structures of Cesium Lead Iodide Perovskite from Atomistic Simulations

A first‐principles‐based effective Hamiltonian is developed and employed to investigate finite‐temperature structural properties of a prototype of perovskite halides, that is CsPbI₃. Such simulations, when using first‐principles‐extracted coefficients, successfully reproduce the existence of an orthorhombic Pnma state and its iodine octahedral tilting angles around room temperature. However, they also yield a direct transformation from Pnma to cubic $Pm\overline{3}m$ upon heating, unlike measurements that reported the occurrence of an intermediate long‐range‐tilted tetragonal P4/mbm phase in‐between the orthorhombic and cubic phases. Such disagreement, which may cast some doubts about the extent to which first‐principle methods can be trusted to mimic hybrid perovskites, can be resolved by “only” changing one short‐range tilting parameter in the whole set of effective Hamiltonian coefficients. In such a case, some reasonable values of this specific parameter result in the predictions that i) the intermediate P4/mbm state originates from fluctuations over many different tilted states; and ii) the cubic $Pm\overline{3}m$ phase is highly locally distorted and develops strong transverse antiphase correlation between first‐nearest neighbor iodine octahedral tiltings, before undergoing a phase transition to P4/mbm under cooling.     

Reduction of waste biosolids by RAS-ozonation: Model validation and sensitivity analysis for biosolids reduction and nitrification

Biosolids reduction model by return activated sludge ozonation was validated by simulating nitrification data compiled from our pilot-scale and the literature studies. Then, a global sensitivity analysis (GSA) was performed to identify influential and non-influential parameters for biosolids reduction efficiency, change in specific nitrification activity (SNA), and alteration to expected nitrification stability. In general, the model outputs were sensitive to operational and ozone reaction parameters, but not to biochemical parameters. For operational parameters, mainly temperature and initial solids retention time (SRT) influenced all model outputs. For biosolids reduction, increase in the degradability of the influent COD decreased the reduction efficiency. For SNA, the changes were highly dependent on the influent TKN/COD ratio. Our findings also imply that the stability of the nitrification process in ozonated systems should be enhanced at constant MLVSS for warm temperatures, but could be reduced at temperatures below 12 °C and aerated SRTs below 10 days.     

Molecular structure and granule morphology of native and heat‐moisture‐treated pinhão starch

Pinhão seed is an unconventional source of starch and the pines grow up in native forests of southern Latin America. In this study, pinhão starch was adjusted at 15, 20 and 25% moisture content and heated to 100, 110 and 120 °C for 1 h. A decrease in λ max (starch/iodine complex) was observed as a result of increase in temperature and moisture content of HMT. The ratio of crystalline to amorphous phase in pinhão starch was determined via Fourier transform infra red by taking 1045/1022 band ratio. A decrease in crystallinity occurred as a result of HMT. Polarised light microscopy indicated a loss of birefringence of starch granules under 120 °C at 25% moisture content. Granule size distribution was further confirmed via scanning electron microscopy which showed the HMT effects. These results increased the understanding on molecular and structural properties of HMT pinhão starch and broadened its food and nonfood industrial applications.     

Effect of gums on viability and β‐galactosidase activity of Lactobacillus spp. in milk drink during refrigerated storage

The viability and β‐galactosidase activity of four Lactobacillus strains in milk drink containing gums during 28 days of refrigerated storage at 4 °C were assessed. The population of Lactobacillus rhamnosus GGB101 and Lactobacillus rhamnosus GGB103 were maintained, whereas the population of Lactobacillus reuteri DSM20016 and Lactobacillus reuteri SD2112 significantly decreased. The recommended level of 6 log CFU g^?1 was exceeded for all tested trains throughout storage. The highest viable number of Lactobacillus rhamnosus GGB103 (8.76 ± 0.03 log CFU mL^?1) was obtained in the product containing carrageenan–maltodextrin. The addition of guar–locust bean–carrageenan led to 20‐fold increase in the level of β‐galactosidase activity for L. rhamnosus GGB101 (1208 ± 2.12 Miller units mL^?1) compared to the control (61 ± 2.83 Miller units mL^?1). Our results suggested that gums could be added to milk to improve viability and enhance β‐galactosidase activity of Lactobacillus.     

Optimized PI+ load–frequency controller using BWNN approach for an interconnected reheat power system with RFB and hydrogen electrolyser units

This paper investigates a renewable energy resource’s application to the Load–Frequency Control of interconnected power system. The Proportional-Integral (PI) controllers are replaced with Proportional-Integral Plus (PI+) controllers in a two area interconnected thermal power system without/with the fast acting energy storage devices and are designed based on Control Performance Standards (CPS) using conventional/Beta Wavelet Neural Network (BWNN) approaches. The energy storing devices Hydrogen generative Aqua Electroliser (HAE) with Fuel cell and Redox Flow Battery (RFB) are incorporated to the two area interconnected thermal power system to efficiently damp out the electromechanical oscillations in the power system because of their inherent efficient storage capacity in addition to the kinetic energy of the generator rotor, which can share the sudden changes in power requirements. The system was simulated and the frequency deviations in area 1 and area 2 and tie-line power deviations for 5% step- load disturbance in area 1 are obtained. The comparison of frequency deviations and tie-line power deviations of the two area interconnected thermal power system with HAE and RFB designed with BWNN controller reveals that the PI+ controller designed using BWNN approach is found to be superior than that of output response obtained using PI+ controller. Moreover the BWNN based PI+ controller exhibits a better transient and steady state response for the interconnected power system with Hydrogen generative Aqua Electroliser (AE) unit than that of the system with Redox Flow Battery (RFB) unit.     

Integrated circuit and system design for renewable energy inverters

This study proposes that a novel integrated circuit (IC) and system design for renewable energy inverters can harvest renewable energy to power direct current (DC) and alternating current (AC) loads. In addition, an intelligent synthesis and management tool is developed to design the proposed system and to judge the system’s operational maintenance decisions. Finally, a renewable energy inverter’s information is posted to an online system. Users can obtain the proposed system’s information at any time and place. The accurate and superior performance of the proposed IC and system is confirmed by computer simulations and experimental results.     

Omics Analysis of Blood-Responsive Regulon in Bordetella pertussis Identifies a Novel Essential T3SS Substrate

Bacterial pathogens sense specific cues associated with different host niches and integrate these signals to appropriately adjust the global gene expression. Bordetella pertussis is a Gram-negative, strictly human pathogen of the respiratory tract and the etiological agent of whooping cough (pertussis). Though B. pertussis does not cause invasive infections, previous results indicated that this reemerging pathogen responds to blood exposure. Here, omics RNA-seq and LC–MS/MS techniques were applied to determine the blood-responsive regulon of B. pertussis. These analyses revealed that direct contact with blood rewired global gene expression profiles in B. pertussis as the expression of almost 20% of all genes was significantly modulated. However, upon loss of contact with blood, the majority of blood-specific effects vanished, with the exception of several genes encoding the T3SS-secreted substrates. For the first time, the T3SS regulator BtrA was identified in culture supernatants of B. pertussis. Furthermore, proteomic analysis identified BP2259 protein as a novel secreted T3SS substrate, which is required for T3SS functionality. Collectively, presented data indicate that contact with blood represents an important cue for B. pertussis cells.     

Graphene added multilayer ceramic sandwich (GMCS) composites: Structure,preparation and properties

The multilayer ceramic composites (MLC) consist of two ceramic materials insoluble in each other and sequentially piled in a symmetric manner whereas they can be divided into two groups: multilayer composites with weak interfaces and composites with strong interfaces. The graphene added multilayer ceramic sandwich (GMCS) composite was developed. The multilayer stack of Si₃N₄ with 5 and 30 wt% graphene addition were stratified in sandwich structure. So formed multilayer stacks with 5 and 7 layers were sintered by hot issostatic pressing (HIP). The homogenity of graphene addition, the effect of layered structures and the position of layers with lower and higher graphene content on the final properties were studied.     

（S）-噻吗洛尔半水合物的合成及表征

为了开发β受体阻断剂新药（S）-噻吗洛尔半水合物，采用3-吗啉-4-氯-1，2，5-噻二唑为起始原料，经水解反应得到中间体1（3-吗啉-4-羟基-1，2，5-噻二唑）。中间体1与R-环氧氯丙烷发生醚化反应，经后处理及重结晶得到中间体2 {（R）-4-［4-（环氧乙烷-2-基甲氧基）-1，2，5-噻二唑-3-基］吗啉}。中间体2经胺化反应、马来酸成盐及重结晶得到（S）-马来酸噻吗洛尔。（S）-马来酸噻吗洛尔经游离、纯水转晶得到符合药典标准的（S）-噻吗洛尔半水合物，总收率14.05%且e.e.值为99.66%。最终成品经IR、1H-NMR、13C-NMR、MS、TGA、DSC表征，并优化各步反应条件。结果表明:以三乙胺为醚化反应缚酸剂75 ℃反应最佳；以乙醇为胺化反应溶剂46 ℃反应16 h最佳；S-噻吗洛尔的转晶拆分以水作溶剂，比传统不对称合成工艺安全稳定，操作简单，适合工业化生产。