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Nano-scaling of electrode materials is often used in battery applications to enhance performance, particularly relating to rate capability. However, for the high-voltage spinel LiNi0.5Mn1.5O4 conflicting results have been reported on the benefits of nano-scaling. In this study, we present first-principles calculations to investigate the effect of nano-scaling on LiNi0.5Mn1.5O4, specifically focusing on the roles and coupling between surface stability, cation ordering and phase behavior. We calculate and compare the surface energy for the low index facets (100), (110), and (111), and find that the most stable facet is dependent on the cation ordering at the surface layer. In this context, we predict a spontaneous surface reconstruction in the cation-ordered structure which leads to a deviation from the perfect surface cation ordering and results in an enhanced accessibility to solid solution behavior as a function of Li content. Our results imply that nano-scaling will be more beneficial for the cation-ordered structure, as compared to the disordered structure where the solid solution region is already intrinsically accessible for a broad range of Li concentrations. [ABSTRACT FROM AUTHOR]

Smart Space is a major currently challenging domain that includes ubiquitous, grid, and pervasive computing to provide intelligence, insight, and vision for emerging world of intelligent environment, products, services and human interaction. Smart Space consists of various objects (devices and applications) and, their extremely tight integration of and coordination between information world and physical resources. In Smart Space, people are allowed to acquire useful information and control devices anytime and anywhere with various smart devices. However the physical world where devices are deployed has much uncertainty and uncontrollable conditions, so that it is impossible to make devices suited to all situations. To achieve user satisfaction and overcome the system failure, devices in Smart Space must be dependable, secure, safe, and efficient, and operate in real-time. In addition, they must be scalable, cost-effective and adaptive. Especially, to deal with uncertainty and uncontrollable condition, devices in Smart Space could be more intelligent in the adaptation. In this paper, we propose an agent-based self-adaptation architecture for implementing smart devices in Smart Space. A self-adaptive smart device reasons about its state and environment, and adapts itself at runtime automatically and dynamically in response to changes. Also we present an adaptation mechanism used to implementing a self-adaptive system. [ABSTRACT FROM AUTHOR]

We present a kinetic Monte Carlo (kMC) model to simulate the ionic conduction in bulk single crystal yttria-stabilized zirconia. An interacting energy barrier model is developed to take into account the interactions between ions by combining density functional theory calculations and the cluster expansion method. The electrical impedance as a function of doping concentration is predicted by kMC simulations. The optimal doping concentration and the effective energy barrier are predicted to be consistent with the experimental observations. We also compute the electrical impedance at different dopant distributions, which helps us to identify the mechanisms of the ionic conductivity enhancement by rearranging dopants and predict the optimal dopant distribution. [ABSTRACT FROM AUTHOR]

Today¿s major search engines return ranked search results that match the keywords the user specifies. There have been many proposals to rank the search results such that they match the user¿s intentions and needs more closely. Despite good advances during the past decade, this problem still requires considerable research, as the number of search results has become ever larger. We define the collection of each search result and all the Web pages that are linked to the result as a search-result drilldown. We hypothesize that by mining and analyzing the top terms in the search-result drilldown of search results, it may be possible to make each search result more meaningful to the user, so that the user may select the desired search results with higher confidence. In this paper, we describe this technique, and show the results of preliminary validation work that we have done. [Copyright &y& Elsevier]

Abstract: We have recently presented a method that allows one to use periodic supercells in ab initio electronic structure calculations in the presence of a finite magnetic field [Phys. Rev. Lett. 92 (2004) 186402]. This method retains the simplicity and efficiency of plane-wave basis sets and Fourier transforms. The original formulation was developed for cubic cell and for the k =(0,0,0) point of the supercell Brillouin zone, and here we extend the formalism to arbitrarily tilted supercells and to the case of non-zero k-points. Implementation details are discussed, together with numerical benchmarks. Finally, first principles calculations of magnetic band structures are presented. [Copyright &y& Elsevier]

The purpose of this study was to investigate the squeal noise characteristics of a brake system equipped with a flexible pad of a high-speed railway. First, through the dynamometer experiment, the dominant squeal noise frequencies were identified and the relevant frequency range of the analysis model was selected. The analysis model was constructed under the predefined conditions, and the consistency with the experiment was reviewed. After performing the full nonlinear perturbed modal analysis routine of commercial FEM program, the frequencies at which the brake squeal noise occurred were determined to investigate the cause of the generated squeal noise. After that, the vibro-acoustic sensitivity of the brake system of a high-speed railway was studied by changing the coefficient of friction and the pressure force between the brake disk and the friction pad. [ABSTRACT FROM AUTHOR]

Simple Summary: Certain exercise performances or movements cause sudden changes (or increases) in metabolic response. Track and field running events that require explosive energy in the shortest time, such as a 100-m sprint, need an immediate energy supply. Referring to the relevant studies to date, metabolic responses to submaximal exercise have been well documented, while information on the metabolic responses of short-term sprint performance is relatively insufficient. In this regard, based on the evidence that the human body relies on anaerobic energy metabolism during intense, short-term exercise, we investigated anaerobic energy contributions following the acute effect of a high-intensity warm-up during a 100 m-sprint. The main finding of our study revealed that a high-intensity warm-up (HIW) increases the contribution of the anaerobic system, probably by activating key regulatory enzymes related to anaerobic energy metabolism, compared to a low-intensity warm-up, for a 100-m sprint. Therefore, an HIW is effective in increasing anaerobic energy contribution during a 100-m sprint, which can be a useful strategy for coaches and athletes in the field. This study aimed to evaluate the effects of warm-up intensity on energetic contribution and performance during a 100-m sprint. Ten young male sprinters performed 100-m sprints following both a high-intensity warm-up (HIW) and a low-intensity warm-up (LIW). Both the HIW and LIW were included in common baseline warm-ups and interventional warm-ups (eight 60-m runs, HIW; 60 to 95%, LIW; 40% alone). Blood lactate concentration [La−], time trial, and oxygen uptake (VO2) were measured. The different energy system contribution was calculated by using physiological variables. [La−1]Max following HIW was significantly higher than in LIW (11.86 ± 2.52 vs. 9.24 ± 1.61 mmol·L−1; p < 0.01, respectively). The 100-m sprint time trial was not significantly different between HIW and LIW (11.83 ± 0.57 vs. 12.10 ± 0.63 s; p > 0.05, respectively). The relative (%) phosphagen system contribution was higher in the HIW compared to the LIW (70 vs. 61%; p < 0.01, respectively). These results indicate that an HIW increases phosphagen and glycolytic system contributions as compared to an LIW for the 100-m sprint. Furthermore, an HIW prior to short-term intense exercise has no effect on a 100-m sprint time trial; however, it tends to improve times (decreased 100-m time trial; −0.27 s in HIW vs. LIW). [ABSTRACT FROM AUTHOR]

The control of dissolved methane (CH 4) and hydrogen sulfide (H 2 S) emissions in anaerobic effluents is essential for minimizing the environmental implications of greenhouse gases, odor, and carbon footprint, as well as for preventing energy loss in the form of unrecovered dissolved methane. This study assessed the feasibility of a vacuum degasifier for the removal of CH 4 and H 2 S from staged anaerobic fluidized membrane bioreactor (SAF-MBR) effluent. The optimization results showed that the efficiency of the nozzle fitted degasifiers were superior to the media packed ones. In three-stage vacuum degasifiers at a −0.8 bar vacuum pressure, H 2 S removal was mostly pH dependent and 88% removal efficiency was achieved with an initial concentration of 13.6 mg/L. Methane removal was dependent primarily on the number of degasifier units, and approximately 94% efficiency was achieved in a three-stage degasifier. Energy balance analysis showed that energy production exceeded the system energy requirements with 0.05–0.07 kWh/m3 of surplus energy. These results provide deep insights into this new technology for simultaneous removal of dissolved CH 4 and H 2 S, which can be referred for potential future applications. Image 1 • Vacuum degasifier aptly removed dissolved CH 4 and H 2 S from the anaerobic effluent. • Removal of 94% of CH 4 and 88% of H 2 S was achieved in three-stage mode. • Through CH 4 recovery, the net energy gained in this process was 0.04–0.06 kWh/m3. • More than 90% CH 4 recovery could result in carbon neutrality of the process. • The vacuum degasifier is a sustainable alternative for dissolved gas removal. [ABSTRACT FROM AUTHOR]

This paper presents a reconfigurable time-to-digital converter (TDC) used to quantize the phase of the impedance in electrical impedance spectroscopy (EIS). The TDC in the EIS system must handle a wide input-time range for analysis in the low-frequency range and have a high resolution for analysis in the high-frequency range. The proposed TDC adopts a coarse counter to support a wide input-time range and cascaded time interpolators to improve the time resolution in the high-frequency analysis without increasing the counting clock speed. When the same large interpolation factor is adopted, the cascaded time interpolators have shorter measurement time and smaller chip area than a single-stage time interpolator. A reconfigurable time interpolation factor is adopted to maintain the phase resolution with reasonable measurement time. The fabricated TDC has a peak-to-peak phase error of less than 0.72° over the input frequency range from 1 kHz to 512 kHz and the phase error of less than 2.70° when the range is extended to 2.048 MHz, which demonstrates a competitive performance when compared with previously reported designs. [ABSTRACT FROM AUTHOR]

Quantum chemistry simulations of some industrially relevant molecules are reported, employing variational quantum algorithms for near-term quantum devices. The energies and dipole moments are calculated along the dissociation curves for lithium hydride (LiH), hydrogen sulfide, lithium hydrogen sulfide, and lithium sulfide. In all cases, we focus on the breaking of a single bond to obtain information about the stability of the molecular species being investigated. We calculate energies and a variety of electrostatic properties of these molecules using classical simulators of quantum devices, with up to 21 qubits for lithium sulfide. Moreover, we calculate the ground-state energy and dipole moment along the dissociation pathway of LiH using IBM quantum devices. This is the first example, to the best of our knowledge, of dipole moment calculations being performed on quantum hardware. [ABSTRACT FROM AUTHOR]

• Annamox-FMBR exhibited stable Anammox process over a period of 560 days. • High nitrogen removal rates of 1.3–1.4 kg-N/m3/d were achieved. • Low activation energy was estimated compared to other similar systems. • Subcritical flux and GAC fluidization were vital for membrane fouling control. The feasibility of anaerobic ammonium oxidation (Anammox) process with a fluidized bed membrane bioreactor (Anammox-FMBR) was evaluated for 561 days treating synthetic wastewater containing 35 mg/L of NO 2 −-N and 25 mg/L of NH 4 +-N. During start-up periods, higher nitrogen loading rate (NLR) induced faster stabilization than the low NLR. Total nitrogen (TN) removal efficiency was over 82% even with short hydraulic retention time (HRT) of 0.75 h at 25 °C conditions but decreased to below 30% at 15 °C. Pronounced effect of operating temperature at lower range was supported by high activation energy (E a) value. The membrane fouling was controlled well, as evidenced from negligible fouling rates when the systems were operated at less than 13 L/m2/h flux with granular activated carbon (GAC) fluidization as cleaning media. With the estimated low energy requirements of 0.0005 kWh/kg N removed , the Anammox-FMBR could be successfully applied in mainstream operation for the energy efficient treatment of low ammonia wastewater. [ABSTRACT FROM AUTHOR]

The fields of energy storage, photocatalysis, and sensors have undergone substantial technological advancements, which have led to the generation of vast amounts of data on electrochemical impedance (EIS). The interpretation of large amounts of EIS data is a challenging task since the analysis of EIS data requires multiple steps to get a suitable equivalent circuit. Recently, some progress has been made in the machine learning (ML) model for EIS classification. However, most of the ML models are performed as a "black box" model, which provides only the classification result and lacks physical descriptor representation. Here, we apply variational autoencoders (VAE) to EIS data analysis, which includes classification, parameter prediction, and the visualization of physical descriptors. The VAE model performed well in the classification task, with an accuracy of 82.0%–92.4%. In the prediction task, VAE shows a high R-squared value on the Randles circuit. Additionally, the VAE model can map physical descriptors to the latent space, allowing the latent space to transform into a property space, which plays an important role in the optimization and exploration of novel materials research. [Display omitted] • Automatically analyze the EIS spectrum. • VAE model design for classification and regression. • The high accuracy classifier of the EIS circuit model with accuracy of 82.0%–92.4%. • The use of VAE model for the exploration and visualization of EIS dataset. [ABSTRACT FROM AUTHOR]

This study developed an integrated LBR – AnMBR system for efficient stabilization and biogas recovery from food waste (FW) at room temperatures (21–22 °C). First, the leachate recirculation rate (4.4–13.2 L/h) was optimized to maximize hydrolysis and acidification yields. The maximum hydrolysis yield of 551 gSCOD/kg VS added was achieved at recirculation rate of 13.2 L/h. The VFA concentrations in the FW leachate was as high as 12.5–16.0 g/L, resulting in a high acidification of 468 g COD VFA /kg VS. The solubilized FW was further stabilized by feeding the leachate to AnMBR. Different hydraulic (HRT) and solids retention times (SRT) were tested to achieve high COD removal and methane yields. High COD removal of 86 ± 3% was obtained in the AnMBR at HRT of 13 and SRT of 75 days. High biogas recovery of about 850 kWh per ton FW treated was achieved along with high quality of AnMBR permeates containing low COD concentration but advantageously high concentration of nutrients (NH 4 +-N 317–403 mg/L, total phosphate 23–213 mg/L) without any particulates, which can be reused for landscape or liquid fertilizer. [Display omitted] • LBR-AnMBR system achieved high food waste degradation and bioenergy recovery. • High hydrolysis yield of 551 gSCOD/kg VS added was achieved in the optimized LBR. • Acidification yields reached a maximum of 468 g COD VFA /kg VSadded. • A high COD removal efficiency of over 90% was obtained for optimized AnMBR. • Bioenergy production reached over 850 kWh per ton food waste treated. [ABSTRACT FROM AUTHOR]

An enavogliflozin ophthalmic solution (DWRX2008) is being developed to treat diabetic retinopathy and macular edema. This study evaluated the ocular distribution and plasma pharmacokinetics (PKs) of enavogliflozin in animal species. A sample of [ 14 C] enavogliflozin was ocularly administered to two rabbits per time point at single doses of 600 μg/eye to evaluate ocular PK, which was evaluated using autoradiography until 48 h post-dose. Plasma concentrations after ocular administration in six rabbits, three rats, and three beagle dogs with single doses of 400 μg, 25 μg, and 100 μg, respectively, were investigated for 24 h. The retinal concentration of [ 14 C] enavogliflozin reached C max at 2.0 h with an elimination half-life of 32.5 h, which remained above the IC 50 value of sodium-dependent glucose transporter 2 until 24 h post-dose. In the plasma of rabbits, the fastest T max of 0.5 h and a 3.6 h half-life were observed among animal species. The relative bioavailability in rabbits after ocular administration was 3.4 compared to oral administration. Ocular administration of enavogliflozin could be a potential therapeutic route for diabetic retinal complications, based on relative bioavailability and effective delivery to the posterior ocular segment. DWRX2008 would be applicable to humans with favorable PK profiles and minimal systemic adverse effect.

Alternative bio-refinery technologies are required to promote the commercial utilization of plant biomass components. The fructooligosaccharide (FOS) obtained after hydrolysis of the hemicellulose fractions was mainly applied in the pharmaceutical and food industries. Agricultural bi-product is a rich constituent in dietary fibres, which have prebiotic effects on the intestinal microbiota and the host. Herein we explored the impact of FOS on microbiota modulation and the gut homeostasis effect. High fructooligosaccharide recovery was obtained using alkaline extraction techniques. The enzymatic method produced fructooligosaccharides with minor contamination from fructan and glucan components, although it had a low yield. But combining the alkaline and enzymatic process provides a higher yield ratio and purity of fructooligosaccharides. The structure of the fructooligosaccharide was confirmed, according to FTIR, 13 C NMR, 1 H NMR and 2D-NMR data. Our results could be applied to the development of efficient extraction of valuable products from agricultural materials using enzyme-mediated methods, which were found to be a cost-effective way to boost bio-refining value. Fructooligosaccharides with varying yields, purity, and structure can be obtained., Competing Interests: The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (© 2023 Published by Elsevier B.V.)

Innovative technologies on green hydrogen production become significant as the hydrogen economy has grown globally. Biohydrogen is one of green hydrogen production methods, and microbial electrochemical cells (MECs) can be key to biohydrogen provision. However, MECs are immature for biohydrogen technology due to several limitations including extracellular electron transfer (EET) engineering. Fundamental understanding of EET also needs more works to accelerate MEC commercialization. Interestingly, studies on biohydrogen gas purification are limited although biohydrogen gas mixture requires complex purification for use. To facilitate an MEC-based biohydrogen technology as the green hydrogen supply this review discussed EET kinetics, engineering of EET and direct interspecies electron transfer associated with hydrogen yield and the application of advanced molecular biology for improving EET kinetics. Finally, this article reviewed biohydrogen purification technologies to better understand purification and use appropriate for biohydrogen, focusing on membrane separation., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2022 Elsevier Ltd. All rights reserved.)

In this paper, we present a unique resistive switching (RS) mechanism study of Pt/TiO 2 /Pt cell, one of the most widely studied RS system, by focusing on the role of interfacial bonding at the active TiO 2 -Pt interface, as opposed to a physico-chemical change within the RS film. This study was enabled by the use of a non-conventional scanning probe-based setup. The nanoscale cell is formed by bringing a Pt/TiO 2 -coated atomic force microscope tip into contact with a flat substrate coated with Pt. The study reveals that electrical resistance and interfacial bonding status are highly coupled together. An oxygen-mediated chemical bonding at the active interface between TiO 2 and Pt is a necessary condition for a non-polar low-resistance state, and a reset switching process disconnects the chemical bonding. Bipolar switching mode did not involve the chemical bonding. The nature of chemical bonding at the TiO 2 -metal interface is further studied by density functional theory calculations.