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Hydrogen energy has a significant and incredible impact on emerging technologies. However, the eco-friendly and clean production of hydrogen energy is under examination and challenging. Water splitting has been considered a sparkling and substantial resource for hydrogen energy, which is strongly dependent on the efficiency of the electrocatalysts. Owing to low cost, rich surface chemistry, greater electrocatalytic active sites, electrical conductivity and weak Se–H strength, metal selenides have originated the efficient electrocatalysts among the chalcogenides family. Several strategies have been adopted to enhance their electrocatalytic characteristics for hydrogen evolution reactions, either in the form of single or multi-metals selenides or post-transition elements doped metal selenides. Herein, fundamentals, synthesis methodologies, and the detailed electrocatalytic activities of the metal selenides have been comprehensively presented. The existing drawbacks and market values have also been concisely summarized for fresh readers and researchers to describe metal selenide electrocatalysts for hydrogen evolution reaction. • Hydrogen energy has a remarkable significance for recent technologies. • Synthesis strategies have been discussed. • Different strategies for Single metal selenides have been discussed. • Multi-metals-based metal selenides have been summarized. • Post-transition elements doped metal selenides have been summarized. [ABSTRACT FROM AUTHOR]

The time-dependent pollution routing problem (TDPRP) extends the pollution routing problem (PRP) cause it captures traffic congestion at peak periods in urban transportation. It concerns planning a fleet of homogeneous vehicles to serve all customers, jointly deciding their speed on every arc and the departure time from each node such that the total cost of routes reaches a minimum. To our knowledge, all solution methods for the TDPRP are founded on (meta-)heuristics. In this study, we propose an exact branch-and-price-and-cut (BPC) algorithm for the TDPRP. The master problem is a route selection problem formulated as a set-partitioning model, and the pricing problem is a time-dependent elementary shortest path problem with resource constraints (TDESPPRC), in which the speed and start time at each customer need to be decided. We devise a tailored label-setting algorithm to handle the pricing problem, and the master problem is solved by column generation. Then, two valid inequalities are employed to tighten the lower bound, and several accelerating techniques are used to speed up the label-setting algorithm. Meanwhile, we present an analytical characterization applied to different scenarios. Finally, extensive computational experiments show our algorithm outperform a commercial MIP solver, and the optimal solutions are found for more benchmark instances using less time. • This paper presents an exact solution based on a BPC algorithm for the TDPRP. The corresponding pricing problem is a TDESPPRC, which is tailored to solve by a label-setting algorithm. • This paper introduces an easy-to-check dominance rule by exploiting the structure of the departure time and the total cost function. The extensive computational experiments show the effectiveness and efficiency of our algorithm. • Our new dominance idea could be used to effectively solve the pricing problems of other VRP variants, where the dominance test needs to compare functions, for example, the PRP, the VRPSTW and the TDVRP. [ABSTRACT FROM AUTHOR]

Background Qing brick tea (QBT), traditional and popular beverage for Chinese people, is an important post-fermentation dark tea. Our present study was performed to investigate the ameliorative effects of QBT aqueous extract on metabolic syndrome (Mets) in monosodium glutamate-induced obese mice and the potential mechanisms. Method Monosodium glutamate-induced obese mice were used to evaluate the anti-Mets effects of QBT. Content levels of malonaldehyde (MDA), reactive oxygen species (ROS) and protein carbonylation, antioxidant enzyme activities of superoxide dismutase (SOD), glutathione peroxidase (GPx), catalase (CAT), glutathione reductase (GR) in the skeletal muscle were assessed by commercial kits, respectively. Western blot and Q-PCR were used to detect the expressions of Transcription Factor Nuclear Factor-Erythroid 2-Related Factor 2 (Nrf2) signaling pathway and downstream antioxidant factors. In addition, activity of AKT signaling and expression of glucose transporter type 4 (GLUT4) in the skeletal muscle were investigated by western blot. Result QBT treatment limited gain of body weight, waistline and LEE index, improved insulin resistance and glucose intolerance, reduced lipid level in MSG mice. Content levels of MDA, ROS and protein carbonylation in skeletal muscle of QBT group were significantly improved compared to those of MSG mice. The antioxidant enzyme activities of SOD, GPx, CAT, and GR were increased in skeletal muscle of MSG mice intervened with QBT. After 20-week QBT treatment, Nrf2 signaling pathway and downstream antioxidant factors were both increased in the skeletal muscle. In addition, QBT treatment improved insulin signaling by preferentially augmenting AKT signaling, as well as increased the protein expression of GLUT4 in the skeletal muscle. Conclusion Our results showed that QBT intake was effective in protecting monosodium glutamate-induced obese mice against metabolic syndrome and involved in the Nrf2 signaling pathway in the skeletal muscle. [ABSTRACT FROM AUTHOR]

• PASP is a biodegradable protein-based retarder. • PASP has less strength loss compared with previous retarders. • PASP prolongs the dissolution of α-HH and crystallization process of gypsum. • The conformation of PASP affects the interaction between PASP and Ca2+ in calcium sulfate solution. Polyaspartic acid (PASP) was an environment-friendly and biodegradable polymer, with a protein-like structure composed of L-aspartic acid residues. In this work, PASP with different molecular weights (2000, 4000–5000 and 6000–8000) was utilized as the retarder for α-hemihydrate gypsum (α-HH), and the effect of PASP on the coagulation, hydration and crystallization process of gypsum were investigated. Results showed that the addition of PASP with a low dosage of 0.01% efficiently delayed the hydration of α-HH and prolonged the setting process. Among three polyaspartic acids, PASP with molecular weight of 4000–5000 (PASP 4–5) exhibited the best performance not only in postponing the setting time to 95 min, but also in decreasing the negative impact of retarder on the strength of gypsum. Significantly, the slightest loss of 2.65% in compressive strength was obtained here when compared with other retarders previously reported, under the lowest dosage of 0.01% PASP 4–5. Consequently, the effect of PASP chain length on the retardation of α-HH was analyzed in detail. The conductivity, heat of hydration, X-ray diffraction (XRD), EDTA titration method and scanning electron microscopy (SEM) characterization found that PASP prevented the dissolution of α-HH. Total organic carbon analyzer (TOC) and X-ray photoelectron spectroscopy (XPS) measurements showed that the carboxyl groups of PASP adsorbed on the surface of α-HH to hinder the dissolution of α-HH. The molecular dynamic simulation of PASP further exhibited that three kinds of PASPs presented different conformations in supersaturated calcium sulfate solution due to the interaction between PASP and Ca2+ ions, and affected their solvent accessible surface area (SASA). In particular PASP 4–5 exhibited the smallest SASA and the strongest interaction with Ca2+ ions, causing the longest setting time of α-HH. [ABSTRACT FROM AUTHOR]

The carbamate molecule rivastigmine was found to possess promising anti-acetylcholinesterase activity, enabling to target and occupy choline binding sites, and as a result, widely used to improve the treatment of Alzheimer's disease (AD). Higher dose of rivastigmine indicates rapid onset but more adverse effects, such as the large fluctuations in plasma concentration level and frequent incidence of gastrointestinal side effect. To solve the dilemma, we developed a three-dimensional quantitative structure-activity relationship (3D-QSAR), docking and molecular dynamics (MD) simulation strategy to construct a dismountable nanoplatform of inhibitor engineering, verification and application for improving the inhibitory activity per unit concentration. With the aid of 3D-QSAR method, we constructed a model by using 25 molecules reported, and verified well the rationality of these QSAR models by non-cross validation coefficient (r2 = 0.902). Docking and MD results show that rivastigmine, as a control, does target exactly the binding sites of acetylcholinesterase, those already observed experimentally, in turn, confirming the reliability of the present 3D-QSAR results. The method suggests that groups with electron-donating chemical property can improve the inhibitory activity, and screens out two novel inhibitors L-1 and L-2 with more activity from database (about 8000 compounds). Moreover, L-1 and L-2 not only target exactly the same binding sites of acetylcholinesterase as the rivastigmine does, but also hold stronger binding energy, showing a more powerful inhibitory ability. More broadly, this work showcases an approach in the engineering of carbamate inhibitors to enhance their inhibitory activity using electron-donating groups, which simplifies the design process of complex bioactive molecules. The 3D-quantitative structure-activity relationship (3D-QSAR) was used to find and screen the novel inhibitor of anti-acetylcholinesterase (AChE) activity, which was validated by its excellent r2 and q2 values, as well as by the available experiment results of Montanari et al. The docking and molecular dynamic simulation further provided mechanical details of AChE-inhibitor interaction. [Display omitted] • The integrated 3D-QSAR, Docking and MD approach identified potential inhibitors against Alzheimer's disease. • The inhibitory activity can be improved by Substituting the R groups with electron-donating property. • The approach would be of great value for optimizing bioactivity and studying the mechanisms of bioactive molecules. [ABSTRACT FROM AUTHOR]

Engineering stoichiometry and lattice field in transition metal oxides (TMOs) is recognized as a promising approach for achieving emergent functional properties and exploring fundamental scientific questions. To overcome the constraints of rigid epitaxial TMOs, this study releases and transfers freestanding SrTiO 3-δ (STO 3-δ) membranes, derived using a water-dissolution method from STO 3-δ /Sr 3 Al 2 O 6 /SrTiO 3 , onto flexible polyimide. In-plane mechanical strains were then applied to investigate the strain evolution-induced ferromagnetism. Continuous strain modulates interplane and intraplane exchange interactions between neighboring atoms in the ferromagnetic STO 3-δ membranes, thereby influencing their ferromagnetic properties. STO 3-δ initially undergoes in-plane octahedral distortion when strain is less than 1.5 %, followed by a decrease in the out-plane lattice constant. This structural variation leads to complex strain-dependent behaviors in the saturation magnetic moment (M s) and coercive field (H c) of STO 3-δ , with M s and H c exhibiting a nonlinear, volcano-shaped, and step-wise correlation, respectively. Our research demonstrates that freestanding STO 3-δ serves as a platform for studying local defects and their impacts on tunable magnetic properties, greatly enhancing our understanding of t 2g electron engineering through modulable inter/intra plane exchange coupling with lattice field. [Display omitted] [ABSTRACT FROM AUTHOR]

Various strategies have been adopted to enhance the characteristics of the MoO 2 nanoparticles electrode structures. Meanwhile the alkaline medium exhibits the sluggish kinetic and an acidic medium can donate the excess protons to promote the hydrogen evolution reaction. The annealing temperature may sputter the environmental oxygen from the surface and enhance the characteristics of the electrocatalysts. MoO 2 nanoparticles have been synthesized successfully using the hydrothermal process; later on, the synthesized structure was treated at temperatures of 400 and 600 °C under the flow of N 2 gas for 6 h. The heat treatment process at 600 °C influenced the characteristics of MoO 2 nanoparticles and enhanced the electrical conductivity, electrochemical and specific surface area and mesoporous features of MoO 2 -600 nanoparticles. Owing to boosted characteristics, MoO 2 -600 nanoparticles reveal a good overpotential of 56 mV at the current density of 10 mA cm−2 in 0.5 M H 2 SO 4 due to the excess availability of the protons, which is better than pre-annealed MoO 2 -basic and MoO 2 -400 nanoparticles. MoO 2 -600 nanoparticles exhibit a good Tafel slope of 22 mV dec−1 and follow the Tafel mechanism, while MoO 2 -600 nanoparticles show a Tafel slope of 64 and 67 mV dec−1 in buffer solution and 1 M KOH electrolyte, respectively. Moreover, the turnover frequency of MoO 2 -600 nanoparticles has been found as 191 ms−1 at the fixed reversible hydrogen potential of 800 mV RHE in 0.5 M H 2 SO 4 , which is greater than the buffer solution and 1 M KOH electrolyte. The results indicate that MoO 2 -600 nanoparticles are an effective electrocatalyst for hydrogen evolution reactions. • The annealing temperature may sputter the environmental oxygen from the surface. • MoO 2 -600 nanoparticles exhibited a greater electrical conductivity area. • MoO 2 -600 nanoparticles reveal a good overpotential of 56 mV in 0.5 M H 2 SO 4. • MoO 2 -600 nanoparticles exhibit a good Tafel slope of 22 mV dec−1 in 0.5 M H 2 SO 4. • The electrocatalyst MoO 2 -600 nanoparticles showed a higher TOF of 191 m s−1. [ABSTRACT FROM AUTHOR]

Abstract: Through scaffold morphing of a known Smoothened antagonist Antag691, a series of novel phenyl imidazole derivatives were developed. Structure–activity-relationship studies and lead optimization led to the discovery of potent, selective and orally bioavailable Smoothened antagonist 19 that is suitable for in vivo studies. [Copyright &y& Elsevier]

[Display omitted] • Four different NBWs were added to the sludge anaerobic digestion. • The hydrolysis of sludge anaerobic digestion can be enhanced by the addition of NBW. • Addition of NBW increased methane production by 9.0–27.8% compared with control. • Addition of NBW (Air, CO 2 , He, and N 2) improved the dewaterability of digestate. • Air-NBW was the most cost-effective additive for sludge anaerobic digestion. The subsequence anaerobic digestion (AD) of dewatered sludge (DWS) from wastewater treatment plants necessitates an emphasis on enhancing methane production and dewaterability. The effect of different nanobubble water (NBW) on AD of DWS was investigated under mesophilic conditions. Cumulative methane production was improved by 9.0–27.8% with the addition of different NBW (Air, CO 2 , He, and N 2). NBW improved methanogenic performance by significantly enhancing the hydrolysis of sludge AD. Results from the digestate, the capillary suction time, specific resistance to filtration, and moisture content could be decreased by 14.6–18.2%, 18.8–29.6%, and 13.6–19.5%, respectively. The addition of NBW can improve the dewaterability of digestate by reducing the digestate particle size and increasing the zeta potential of digestate. The addition of NBW significantly increased methane production and improved dewaterability in AD; Air-NBW showed the best improvement. [ABSTRACT FROM AUTHOR]

[Display omitted] • Microbial electrolysis cell was integrated in different phases of different TPAD. • Thermophilic conditions enhanced hydrolysis more than microbial electrolysis cell. • TPAD integrated microbial electrolysis cell improved the methane yield. • Microbial electrolysis cell was more effective in mesophilic-mesophilic TPAD. Temperature-phased anaerobic digestion (TPAD) and microbial electrolysis cell (MEC) are both able to improve hydrolysis and methane yield during anaerobic digestion (AD) of dewatered sludge. However, the effect of TPAD and MEC integration at different temperatures and different phases is unclear. This study investigated the effect of the integration of intermittent energization MEC in different phases of TPAD on the digestion of dewatered sludge. Thermophilic and MEC hydrolysis could release higher total ammonia nitrogen of 186.0% and 10.3% than control, mesophilic methanogenesis phase integrated with MEC relieved the ammonia inhibition and accelerated the acid utilization leading to the relief of acid accumulation. The ultimate methane yield of the TPAD integrated with MEC was increased by 118.9%, in which the relative abundance of Methanothermobacteria and Methanosarcina was increased. Therefore, intermittent energization MEC integrated TPAD synchronously improved the hydrolysis and methane yield. [ABSTRACT FROM AUTHOR]

Women with multiple pregnancies are vulnerable to experience postpartum depression (PPD). Emerging evidence indicates an association between poly- and perfluoroalkyl substances (PFAS) exposure and PPD in women delivering singletons. The health risks of PFAS may also be present in women delivering twins. To estimate the impacts of prenatal PFAS exposure on the risk of PPD in women with twin pregnancies. Our study included 150 mothers who gave birth to twins and were enrolled in the Wuhan Twin Birth Cohort. The concentrations of maternal plasma PFAS were measured in each trimester and averaged. Eight individual PFAS were included in analyses. We used Edinburgh Postnatal Depression Scale to evaluate maternal depression at early pregnancy and 1 and 6 months after childbirth. The outcome was dichotomized using a cutoff value of ≥10 for main analyses. Associations were examined using multiple informant models and modified Poisson regressions. PFAS mixture effects were estimated using quantile g-computation. Using quantile g-computation models, a quartile increase in the PFAS mixture during the first, second, third, and average pregnancy was significantly associated with a relative risk (RR) of 1.73 (95% CI: 1.42, 2.12), 1.54 (95% CI: 1.27, 1.84), 1.75 (95% CI: 1.49, 2.08), and 1.63 (95% CI: 1.35, 1.97) for PPD at 6 months after childbirth, respectively. The results of the single-PFAS models also indicated significant positive associations between individual PFAS and PPD at both 1 and 6 months. The first study of women with twin pregnancies suggests that prenatal exposure to PFAS increases PPD risk up to 6 months postpartum. Twin pregnant women should receive long-term follow-up after delivery and extensive social support. [Display omitted] [ABSTRACT FROM AUTHOR]

The rapid growth of the digital economy has driven economic development, but the massive demand for electricity from digital reforms, coupled with China's coal-based power generation, has created a significant CO 2 emission problem. Previous studies have assessed digital economy sectors with an incomplete scope and a lack of carbon emissions assessment at the intermediary-side. To fill these gaps, this study assessed CO 2 emissions using input–output modeling of the core industry sector of the digital economy and the industrial digitalization sector at the production, intermediary, and demand sides, and identified key CO 2 transmission centers. The results show the following: (1) Digital economy sectors had a high betweenness and were important CO 2 transmission centers in the economic system, transmitting more than 4.08 billion tonnes of betweenness-based CO 2 emissions; (2) specifically, the industrial digitalization sector transmitted the most CO 2 in the economic system, and the digital product manufacturing sector was the core industry sector with the highest betweenness and a strong transmission effect on the CO 2 emissions in the supply chain; (3) digital economy sectors had large CO 2 emissions on the production, intermediary, and demand sides, and transmitted CO 2 more through the demand-side and key transmission centers. These results suggest that digital economy sectors can decarbonize and reduce CO 2 emissions by (1) improving material use efficiency in the digital product manufacturing sector, (2) reducing the use of carbon-intensive energy and materials in the digital economy sectors, and (3) establishing CO 2 emission disclosure rules, incentives, and penalties. • The digital product manufacturing sector had high betweenness. • Industrial digitalization sector was the largest intermediary-side contributor. • Digital economy sectors had large CO2 emissions from three sides. • Digital economy sectors influenced upstream CO2 emissions more through demand. [ABSTRACT FROM AUTHOR]

The prevalence of depression has increased dramatically in the past few decades, and pregnant women are at high risk for depression. It is widely thought that inflammation plays a critical role in the pathogenesis of depression. Therefore, we aimed to evaluate the association between the neutrophil-lymphocyte ratio (NLR), a marker of chronic immune inflammation, and perinatal depressive symptoms. A cohort study involving 535 pregnant women was conducted based on a prospective birth cohort in Wuhan, China. The Edinburgh Postnatal Depression Scale (EPDS) was used to assess antepartum depression (APD) and postpartum depression (PPD) during the second trimester of pregnancy and one month after delivery. The NLR during the second trimester was determined based on a routine blood test. The association between NLR and depressive symptoms was evaluated using logistic regression analysis and restricted cubic spline (RCS) regression. We found that the prevalence of APD and PPD was 8.4% and 15.1%, respectively. NLR levels were positively associated with APD (OR = 1.52, 95% CI: 1.20-–1.91). After adjusting for potential confounders, the OR (95% CI) of APD for the highest NLR quartile was 4.56 (1.58, 13.13) compared with the lowest quartile. No significant association was found between NLR and PPD. RCS regression model analysis indicated a linear correlation between NLR and APD (P for non-linearity = 0.58). Overall, elevated mid-trimester NLR is independently associated with APD but not PPD. • This study evaluated the association between NLR and perinatal depression. • NLR in pregnant women with depression is higher than those without depression. • Mid-trimester NLR is positively associated with Mid-trimester antepartum depression but not postpartum depression. • Our results indicate a cross-sectional association between inflammation and antepartum depression. [ABSTRACT FROM AUTHOR]