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The interaction between adjacent active sites is crucial to balance the efficiency and utilization of functional atoms in single-atom catalysts. Herein, the catalytic activity of hydrogen evolution reaction at different site (nitrogen coordinated transition metal centers embedded in graphene) distances was comprehensively investigated by density functional theory calculations. The results show that a proximity effect of reactivity and site spacing can be identified in the Co-series single-atom catalysts. Although the proximity effect is more linearly responded with the site spacing along x direction, an optimal distance of ∼0.8 and ∼2.8 nm are found for Co and Rh, Ir atoms, respectively. An in-depth analysis of the electronic property reveals that the proximity effect is caused by the distinct net charge of the active site, which is affected by the d z 2 position relative to EF. Subsequently, an excess electron nodal channel in x direction was found to serve as a communication pathway between the active sites. Through the finding in this work, an optimal Fe-N2C2 structure was deliberately designed and has shown prominent proximity effect as Co-series do. The results reported in this work provide a simple and effective tuning method for the reactivity of a single-atom catalyst. [ABSTRACT FROM AUTHOR]

This paper aims to recover the initial value and source term simultaneously in the parabolic equations with convective term from measurements at two fixed times t0$$ {t}_0 $$ and T$$ T $$. In particular, we analyze the ill‐posedness of the inverse problem and then apply the Fourier truncated regularization method to solve the inverse problem. A theoretical analysis of the error estimation for the initial value and source term is also given. Finally, we present some numerical examples to verify the validity and feasibility of the proposed method. [ABSTRACT FROM AUTHOR]

Increasing advancements in building digitization, smart sensing, and metering technologies have allowed large amounts of timeseries data to be collected for monitoring, analyzing, and controlling building systems. However, due to sensor or communication failures, the data collected are often incomplete and poor in quality. Data imputation approaches to replace the missing values, specifically based on either statistical or predictive models have been widely adopted for multivariate datasets in other domains. It is hence of interest to find an effective way to impute timeseries data collected from a building system. In this paper, we evaluate multiple data imputation approaches using data collected from a medium sized building situated in Stockholm, Sweden and a small commercial building from the ASHRAE RP-1312 research project. Sensors with widely varying characteristics from the case study buildings were selected to evaluate the imputation methods. The imputation accuracy and the impact of each chosen imputation method on information entropy, short-term building forecasting model performance, and fault detection strategy were evaluated. Results demonstrate that incorporating time-lagged cross correlations within a k-nearest neighbor (kNN) model provide the most accurate imputations without affecting the quality of subsequent data analysis. [ABSTRACT FROM AUTHOR]

Using molecular dynamics simulations, we study the roles of geometry, boundary conditions, and nanotwinned structure on the mechanical response of Cu ⟨ 110 ⟩ cylindrical nanopillars under tensile loading. Specifically, we investigate the stress–strain responses, deformation mechanisms, and defect evolution in nanopillars of varying height-to-diameter ( H / D ) ratios, capped with rigid layers to resemble hard coatings, and with microstructures consisting of columnar grains with and without nanoscale coherent twin boundaries (CTBs). Our results indicate that the disk-shaped nanopillars (DPs) with low H / D ratios exhibit high yield strength, significant triaxial tension stress, and pronounced plastic deformation. This deformation is accompanied by high defect density near the Cu/rigid layer interfaces, driven by dislocation pile up from multiple activated slip systems. Conversely, the deformed rod-shaped nanopillars of large ratios exhibit localized plastic deformation characterized by necking phenomena. Our results reveal the dominant role of Shockley type dislocations in plastic deformation, particularly in DPs, which display higher dislocation densities due to reduced dislocation annihilation events at free surfaces and pile up at interfaces. Notably, deformed DPs exhibit a unique vacancy-induced nanovoid nucleation mechanism at interfaces, resulting from the coalescence of vacancies generated during shearing of jogs. Additionally, the results demonstrate that dislocations glide between CTBs forming wide stacking faults, or traverse CTBs in a zigzag pattern as perfect dislocations, confirming a recently hypothesized cross-slip-like transmission in a recent experimental observation. Our simulations indicate that nanometer-spaced CTBs in Cu ⟨ 110 ⟩ nanopillars act as weak barriers to dislocation motion during tensile loading, leading to only a marginal enhancement of mechanical properties. [ABSTRACT FROM AUTHOR]

Aims: There is limited research on the relationship between food insecurity and mortality among individuals with diabetes. This study aims to investigate the impact of food insecurity on all‐cause and cause‐specific mortality in adults with diabetes. Research Design and Methods: This study included 5749 adults with diabetes from the National Health and Nutrition Examination Survey cycles 2003–2018 and followed up until 31 December 2019. Food insecurity was measured by the Food Security Survey Module. Cox proportional hazard models were employed to estimate hazard ratios (HRs) and 95% confidence intervals for both all‐cause mortality and cause‐specific mortality. Results: The weighted prevalence of full food security, marginal food security, low food security, and very low food security was 70.8%, 11.0%, 10.4%, and 7.8%, respectively. Food insecurity demonstrated a significant correlation with diminished diet quality and reduced consumption of healthy foods. Over the course of 42,272.0 person‐years of follow‐up, we documented 1091 deaths, of which 370 were attributed to cardiovascular disease and 180 to cancer. After adjusting for multiple variables, food insecurity scores were significantly and linearly associated with increased all‐cause mortality. Comparing to full food security, participants experiencing very low food security had a multivariate‐adjusted HR of 1.48 (1.12, 1.95) for all‐cause mortality (ptrend = 0.010). Conclusions: Food insecurity was associated with increased all‐cause mortality and compromised diet quality, especially in individuals experiencing very low food security. Future strategies may necessitate the monitoring of and interventions for food insecurity among individuals with diabetes. [ABSTRACT FROM AUTHOR]

Methods for solving the generalized nonlinear Schrödinger equation (GNLSE) with adaptive step-size methods including the local error method (LEM) and conservation quantity error method (CQEM) are described. Supercontinuum generation (SCG) in liquid-core photonic crystal fibers (PCF) is numerically simulated by using LEM and CQEM in the time domain and frequency domain (FD) respectively. According to the numerical simulation results, the advantages and disadvantages of different adaptive step-size methods are compared, and the influence of different adaptive step-size methods on the coherence of SC is analyzed. A supercontinuum (SC) spectrum spanning from approximately 1300–2800 nm with high-coherence properties is numerically generated in the 5 cm fiber with 50 fs and 1000 W pump pulses at 1.55 μm. The numerical results demonstrate that the performance of the SC generated in FD is also better because the nonlinear operator is more effective in FD. In addition, the pulse evolution process based on LEM is smoother and the coherence is better due to its higher number of iterations and accuracy, so it is adapted to accurately modeling the SCG in PCF. However, the CQEM is more computationally efficient and can minimize the computational effort, so it is suitable for the fast modeling of SCG in PCF. This numerical study helps to optimize the numerical process of SCG and find a new way for the generation of highly coherent SC. [ABSTRACT FROM AUTHOR]

In this research, we propose the deep Residual Network to realize the inverse design of a low loss 1 × 3 port power splitter with an area of 2.6 × 2.6 μm2 on a standard silicon-on-insulator platform. Then the area is used as the inverse design region and discretized into 20 × 20 square pixels, where each pixel can be switched between the two random initial states of silicon square with and without holes. Besides, we use the direct binary search algorithm to change the state of the pixels so that the distribution of all pixels in the inverse design region reaches the optimal value of the algorithm. While training the network, inputting spectral transmission response, and using the etched hole vector positions as a label for the inverse design, it achieved an accuracy of 0.9111 and a correlation coefficient greater than 0.88 for all three ports. Finally, we demonstrated 1 × 3 power splitters with 1:2:1, 1:2:1.5, 1:3:1, and 1:3:2 distribution ratios and a more than 90% maximum transmission efficiency with bandwidth from 1450 to 1650 nm while having a low insertion loss of less than 0.45 dB. This research can be found potential applications in the design of photonic devices with high performance and small size. [ABSTRACT FROM AUTHOR]

In this paper, we study the inversion of the inner boundary data for Poisson equation in a doubly connected domain by fast Fourier ultraspherical spectral solver. The solver depends on the truncated Fourier series expansion, where the differential equations of the Fourier coefficients are solved by an ultraspherical spectral method. Because this problem is seriously ill‐posed, the Cauchy data with noise will lead to ill‐conditioned linear system. Hence, we apply Tikhonov regularization to solve the obtained linear system and use generalized cross‐validation (GCV) criterion to select regularization parameters. The accuracy and efficiency of the proposed method are illustrated by several numerical results of different regions. [ABSTRACT FROM AUTHOR]

In many subsurface studies, facies and petrophysical properties are two important reservoir parameters that are closely correlated. They are routinely used in well interpretation, hydrocarbon reserve calculation and production profile prediction. These two parameters have commonly been determined in two separate tasks because of their mathematical differences (facies are discrete, and petrophysical properties are continuous). However, this is incorrect because facies and petrophysical properties are often strongly correlated. Therefore, we propose a new joint inversion method of facies and petrophysical properties based on a bi‐level optimization model. In the bi‐level optimization model, the upper‐level problem is the petrophysical property inversion while the lower‐level problem can identify the facies and add a facies‐related constraint for the upper‐level optimization. We also develop a new genetic algorithm for the discrete‐continuous inversion problem based on the bi‐level optimization model because the inversion problem usually has multiple local solutions. In addition, rock physics and statistics are combined in the inversion process. A rock physics model is used to establish the basic relationships between the petrophysical and elastic parameters, and the statistical approach is used to describe the intrinsic connection among the multiple reservoir parameters based on well log data. The numerical experiments indicate that the traditional separate prediction method and the new joint inversion method can quickly obtain more accurate results. In the application examples of real data, the inversion results can be matched to the well log data within the limits of the input data resolution, which further verifies the reliability and application potential of this new method. [ABSTRACT FROM AUTHOR]

Purpose: In the present study, we aimed to evaluate the efficacy and safety of camrelizumab combined with oxaliplatin plus S‐1 in patients with resectable gastric or gastroesophageal junction cancer. Methods: In this single‐arm, phase II clinical trial, patients with locally advanced gastric or gastroesophageal junction adenocarcinoma were enrolled to receive three cycles of neoadjuvant camrelizumab and oxaliplatin plus S‐1 every 3 weeks, followed by surgical resection and adjuvant therapy with the same regimen. The primary endpoint was pathological complete response (pCR) (ypT0) rate and secondary endpoints were R0 resection rate, total pCR (tpCR, ypT0N0) rate, major pathological response (MPR) rate, downstaging, objective response rate (ORR), disease control rate (DCR), event‐free survival (EFS), overall survival (OS), and safety. Results: Between September, 2020 and January, 2022, a total of 29 patients were enrolled in the present study, all of whom completed neoadjuvant therapy and underwent surgery. Three (10.3%) (95% CI: 2.2–27.4) patients achieved pCR as well as tpCR, 20 (69.0%) patients had MPR and 28 (96.6%) patients achieved R0 resection. Treatment‐emergent adverse events (AEs) of any grade were observed in 24 (82.8%) patients. Immune‐related adverse events of any grade were reported in 13 (44.8%) patients, whereas no grade 3 or higher adverse events occurred. Conclusion: The neoadjuvant therapy with camrelizumab in combination with oxaliplatin and S‐1 showed a modest pCR rate, and favorable MPR rate and safety profile in patients with gastric or gastroesophageal junction cancer. [ABSTRACT FROM AUTHOR]

Retinal ischemia plays a vital role in vision-threatening retinal ischemic disorders, such as diabetic retinopathy, age-related macular degeneration, glaucoma, etc. The aim of this study was to investigate the effects of S-allyl L-cysteine (SAC) and its associated therapeutic mechanism. Oxidative stress was induced by administration of 500 μM H2O2 for 24 h; SAC demonstrated a dose-dependent neuroprotective effect with significant cell viability effects at 100 μM, and it concurrently downregulated angiogenesis factor PKM2 and inflammatory biomarker MCP-1. In a Wistar rat model of high intraocular pressure (HIOP)-induced retinal ischemia and reperfusion (I/R), post-administration of 100 μM SAC counteracted the ischemic-associated reduction of ERG b-wave amplitude and fluorogold-labeled RGC reduction. This study supports that SAC could protect against retinal ischemia through its anti-oxidative, anti-angiogenic, anti-inflammatory, and neuroprotective properties. [ABSTRACT FROM AUTHOR]

This article investigates the distributed Nash equilibrium seeking problem of quadratic time‐varying games with Euler–Lagrange (EL) players, where external disturbances and parametric uncertainties are involved. A gradient‐based hierarchical algorithm consisting of a game layer and a control layer is proposed. Specifically, in the game layer, EL players communicate with neighbors through a graph to reach the consensus on potential aggregate values, which will be employed to calculate the gradient of each player's objective function, and then, a gradient‐based sliding mode controller is developed to track time‐varying gradient in the control layer. Thus, the convergence results are hierarchically obtained through the Lyapunov stability method. In addition, the hierarchical control strategy is extended to address the constrained problems through the utilization of a smooth penalty function. By appropriately choosing control parameters, the Nash equilibrium seeking errors can be arbitrarily small. The relation between the optimal solutions of the original problem and the dual one is further discussed. Finally, the proposed methods are numerically verified. [ABSTRACT FROM AUTHOR]

We proposed and investigated an ultrahigh sensitivity terahertz (THz) refractive index sensor based on four‐inscribed hole defect photonic crystal structure. Due to the formation of resonant modes, the sensing properties can be obtained by shifting the sharp resonance in the transmission spectrum as changing of the analyte refractive index. In addition, the influence of structure parameters on the sensing performance is explored and demonstrated numerically. The numerical results illustrate that the Q‐factor and figure of merit reach 323.71 and 167.188 can be obtained under the optimized structural parameters. In particular, an ultrahigh sensitivity of 198.8 μm/RIU can be realized in the frequency range of 0.777–0.779 THz. The proposed sensor may find significant applications in biochemical sensing systems. [ABSTRACT FROM AUTHOR]

Ensuring food safety is a critical concern for the development and well-being of humanity, as foodborne illnesses caused by foodborne bacteria have increasingly become a major public health concern worldwide. Traditional food safety monitoring systems are expensive and time-consuming, relying heavily on specialized equipment and operations. Therefore, there is an urgent need to develop low-cost, user-friendly and highly sensitive biosensors for detecting foodborne bacteria. In recent years, the combination of nanomaterials with optical biosensors has provided a prospective future platform for the detection of foodborne bacteria. By harnessing the unique properties of nanomaterials, such as their high surface area-to-volume ratio and exceptional sensitivity, in tandem with the precision of optical biosensing techniques, a new prospect has opened up for the rapid and accurate identification of potential bacterial contaminants in food. This review focuses on recent advances and new trends of nanomaterial-based biosensors for the detection of foodborne pathogens, which mainly include noble metal nanoparticles (NMPs), metal organic frameworks (MOFs), graphene nanomaterials, quantum dot (QD) nanomaterials, upconversion fluorescent nanomaterials (UCNPs) and carbon dots (CDs). Additionally, we summarized the research progress of color indicators, nanozymes, natural enzyme vectors and fluorescent dye biosensors, focusing on the advantages and disadvantages of nanomaterial-based biosensors and their development prospects. This review provides an outlook on future technological directions and potential applications to help identify the most promising areas of development in this field. [ABSTRACT FROM AUTHOR]

This paper is devoted to the backward problem of determining the initial value and initial velocity simultaneously in a time-fractional wave equation, with the aid of extra measurement data at two fixed times. Uniqueness results are obtained by using the analyticity and the asymptotics of the Mittag-Leffler functions provided that the two fixed measurement times are sufficiently close. Since this problem is ill-posed, we propose a quasi-reversibility method whose regularization parameters are given by the a priori parameter choice rule. Finally, several one- and two-dimensional numerical examples are presented to show the accuracy and efficiency of the proposed regularization method. [ABSTRACT FROM AUTHOR]

Serum exosomes frequently are used for liquid biopsy. Serum exosomes normally are isolated using ultracentrifugation; however, ultracentrifugation is time-consuming, labor intensive and requires a high-speed centrifuge. Many commercial kits use a precipitation-based method; however, this process can result in substantial contamination. We developed a new method to isolate pure serum exosomes. We isolated serum exosomes using precipitation, extracted them using acetone, then isolated them again by precipitation. We used transmission electron microscopy (TEM) to examine the morphology of serum exosomes. TEM indicated that our isolated exosomes were pure with typical morphology and with a size ranging from 40 to 150 nm. Flow cytometry revealed expression of exosome markers, CD63, CA81 and CD9. Our double precipitation method enables ready extraction of pure exosomes from serum. Our double precipitation method simplifies detection of serum exosomal biomarkers for diagnosis and prognosis of disease. [ABSTRACT FROM AUTHOR]

C16H17N3O2, monoclinic, P21/n (no. 14), a = 9.3503(9) Å, b = 9.1998(8) Å, c = 17.7180(18) Å, β = 97.636(9)°, V = 1510.6(3) Å3, Z = 4, Rgt(F) = 0.0564, wRref(F2) = 0.1439, T = 293 K. [ABSTRACT FROM AUTHOR]

Background: Global transcription machinery engineering (gTME) is an effective approach employed in strain engineering to rewire gene expression and reshape cellular metabolic fluxes at the transcriptional level. Results: In this study, we utilized gTME to engineer the positive transcription factor, DegU, in the regulation network of major alkaline protease, AprE, in Bacillus pumilus. To validate its functionality when incorporated into the chromosome, we performed several experiments. First, three negative transcription factors, SinR, Hpr, and AbrB, were deleted to promote AprE synthesis. Second, several hyper-active DegU mutants, designated as DegU(hy), were selected using the fluorescence colorimetric method with the host of the Bacillus subtilis ΔdegSU mutant. Third, we integrated a screened degU(L113F) sequence into the chromosome of the Δhpr mutant of B. pumilus SCU11 to replace the original degU gene using a CRISPR/Cas9 system. Finally, based on transcriptomic and molecular dynamic analysis, we interpreted the possible mechanism of high-yielding and found that the strain produced alkaline proteases 2.7 times higher than that of the control strain (B. pumilus SCU11) in LB medium. Conclusion: Our findings serve as a proof-of-concept that tuning the global regulator is feasible and crucial for improving the production performance of B. pumilus. Additionally, our study established a paradigm for gene function research in strains that are difficult to handle. [ABSTRACT FROM AUTHOR]

The TFIIF-like Rpc53/Rpc37 heterodimer of RNA polymerase (pol) III is involved in various stages of transcription. The C-terminal region of Rpc53 dimerizes with Rpc37 to anchor on the lobe domain of the pol III cleft. However, structural and functional features of the Rpc53 N-terminal region had not been characterized previously. Here, we conducted site-directed alanine replacement mutagenesis on the Rpc53 Nterminus, generating yeast strains that exhibited a coldsensitive growth defect and severely compromised pol III transcriptional activity. Circular dichroism and NMR spectroscopy revealed a highly disordered 57-amino acid polypeptide in the Rpc53 N-terminus. This polypeptide is a versatile protein-binding module displaying nanomolar-level binding affinities for Rpc37 and the Tfc4 subunit of the transcription initiation factor TFIIIC. Accordingly, we denote this Rpc53 N-terminus polypeptide as the TFIIIC-binding region or CBR. Alanine replacements in the CBR significantly reduced its binding affinity for Tfc4, highlighting its functional importance to cell growth and transcription in vitro. Our study reveals the functional basis for Rpc53's CBR in assembly of the pol III transcription initiation complex. [ABSTRACT FROM AUTHOR]

The analysis of heat, air, and moisture (H.A.M.) transport for building envelopes are known to be highly dependent on climate loads and air infiltration rates. Moisture content within the assembly is often a key H.A.M. analysis outcome to assess risk and transport behavior. ASHRAE Standard 160-2016 states that building envelope H.A.M. analysis should be done using moisture design reference data or using a minimum of 10 consecutive years of weather. While there has been progress and methods for selecting or designing moisture reference years there has been a lack of study in the impact of multi-year (particularly 10-year) weather scenarios on simulation results in comparison to reference year simulations. This paper presents research using stochastic 1, 2, and 10-year weather data and air infiltration rates to study the range of simulated moisture content outcomes for four wall assemblies in Philadelphia and compares these to the outcomes when using reference years. Results from the study show that air infiltration, starting month, and multi-year duration have significant impacts on simulated moisture content, mold, and corrosion analysis results. Regression analysis using annual averages of climate input parameters did not yield useable models for selecting weather years, however an estimated mold index value using outdoor climate data may be useful in selecting weather years with varying starting months for mold growth assessment. [ABSTRACT FROM AUTHOR]

Background: Knee osteoarthritis (KOA) has a complex pathological mechanism and is difficult to cure. The traditional medicine Du Huo Ji Sheng Tang (DHJST) has been used for the treatment of KOA for more than one thousand years, but its mechanism for treating KOA has not been revealed. In our previous study, we confirmed that DHJST inhibited the activation of NLRP3 signaling in rats and humans. In the current study, we aimed to determine how DHJST inhibits NLRP3 to alleviate knee cartilage damage. Methods: Mice were injected with NLRP3 shRNA or Notch1-overexpressing adenovirus into the tail vein to construct systemic NLRP3 low-expressing or Notch1 high-expressing mice. Mice were injected with papain into the knee joint to replicate the KOA model. DHJST was used to treat KOA model mice with different backgrounds. The thickness of the right paw was measured to evaluate toe swelling. The pathohistological changes and the levels of IL-1β, MMP2, NLRP3, Notch1, collagen 2, collagen 4, HES1, HEY1, and Caspase3 were detected by HE staining, ELISA, immunohistochemical staining, western blotting, or real-time qPCR. Results: DHJST reduced tissue swelling and serum and knee cartilage IL-1β levels, inhibited cartilage MMP2 expression, increased collagen 2 and collagen 4 levels, decreased Notch1 and NLRP3 positive expression rates in cartilage, and decreased HES1 and HEY1 mRNA levels in KOA model mice. In addition, NLRP3 interference decreased cartilage MMP2 expression and increased collagen 2 and collagen 4 levels without affecting the expression levels of notch1, HES1 and HEY1 mRNA levels in the synovium of KOA mice. In KOA mice with NLRP interference, DHJST further reduced tissue swelling and knee cartilage damage in mice. Finally, Notch1-overexpressing mice not only showed more severe tissue swelling and knee cartilage degradation but also abolished the therapeutic effect of DHJST on KOA mice. Importantly, the inhibitory effects of DHJST on the mRNA expression of NLRP3, Caspase3 and IL-1β in the knee joint of KOA mice were completely limited after Notch1 overexpression. Conclusion: DHJST significantly reduced inflammation and cartilage degradation in KOA mice by inhibiting Ntoch1 signaling and its subsequent NLRP3 activation in the knee joint. [ABSTRACT FROM AUTHOR]

The selection of heat transfer medium is indispensable for the efficient realization of photothermal conversion. Nanofluids, thanks to their enhanced thermal properties and possible heat transfer applications, have been a topic of intense research. Also, nanofluid is an ideal working fluid for direct absorption solar collectors (DASCs). In this work, the stable ZrC/TiN nanofluids with high light absorption was prepared while a new irradiation mode was used to improve the photothermal conversion efficiency. Firstly, the composite optical characteristics of ZrC/TiN nanoparticles were numerically simulated by the finite-difference time-domain (FDTD) method. With the localized surface plasmon resonance (LSPR) effect by nano-TiN and the strong absorption exhibited by nano-ZrC, the 160 ppm ZrC/TiN nanofluids can achieve nearly 100% solar energy with a light distance of 1 cm. Secondly, the solar-to-thermal conversion efficiency of 160 ppm ZrC/TiN nanofluids was up to 73.7% though the side radiation, which was about 31% higher compared to the base fluids. In addition, this special flow model allows a lower temperature difference inside the ZrC/TiN nanofluids. Simulations and experiments showed that the ZrC/TiN nanofluids with the new irradiation mode has a relatively outstanding photothermal conversion capability, revealing the application prospects and potential of ZrC/TiN nanofluids in DASCs. [ABSTRACT FROM AUTHOR]

The finite‐time nonlinear placement problem of networked Euler‐Lagrange systems (NELSs) is discussed in this paper. The problem is reformulated into a finite‐time aggregate game under an undirected graph. Then, several novel practical gradient‐based finite‐time hierarchical (GFTH) algorithms composed of a game layer, a Nash equilibrium (NE) seeking layer, and a control layer are proposed. Specifically, the game layer employs an aggregate function to reach a consensus on the potential aggregate value which is adopted by a gradient‐based finite‐time method to tackle the finite‐time NE seeking problem in the NE seeking layer, and then, the tracking problem is realized in the control layer. The convergence results are established by a nonsmooth Lyapunov function. In addition, the versatility of the GFTH algorithms is shown by extending to address the task‐space control problem of NELSs. The effectiveness of the proposed algorithms is illustrated via simulations. [ABSTRACT FROM AUTHOR]

Background: The prevalence of impaired glucose tolerance and diabetes is much higher in people with cirrhosis than that in the general population. However, there are inadequate concrete guidelines for the management of diabetes in these patients, particularly in the early stage. Bile aids (BAs) have been found to exert hormone-like functions in the control of lipid and glucose metabolism. We studied the effect of ursodeoxycholic acid (UDCA) on glucose levels in rats with cirrhosis induced by bile duct ligation (BDL). Methods: SD rats were divided into three groups: sham operation (Group A); BDL (Group B), and UDCA plus BDL (Group C). After 4 weeks, oral glucose tolerance tests were performed. Serum biochemical parameters and the levels of glucose, insulin, and glucagon-like peptide 1 (GLP-1) were measured. Histopathology of the liver and islet was observed. The gene expression of cholesterol 7α-hydroylase (CYP7A1), microsomal oxysterol 7a-hydroxylase (CYP7B1) in the liver, and Takeda G-protein-coupled receptor-5 (TGR5) in the intestine was determined by real-time PCR. Results: Compared with Group A, fasting glucose and 1-h and 2-h postprandial glucose levels increased slightly (all P > 0.05), 2-h postprandial insulin levels increased significantly (P < 0.05), 15 min postprandial GLP-1 levels decreased (P < 0.05) in Group B. Compared with Group B, fasting glucose and 1-h postprandial glucose levels decreased (all P < 0.05), 2-h postprandial insulin levels decreased (P < 0.01), and 15 min postprandial GLP-1 levels increased (P < 0.05) in Group C. After UDCA intervention, liver fibrosis induced by BDL was alleviated, and the islet areas were increased (P < 0.05). Compared with Group A, the mRNA expression of CYP7A1 and CYP7B1 in the liver increased, and the mRNA expression of TGR5 in the intestine decreased in Group B (all P < 0.05). Compared with Group B, the mRNA expression of CYP7A1 and CYP7B1 in the liver decreased, and TGR5 in the intestine increased in Group C (P < 0.05). Conclusions: After 4 weeks of BDL, the rats developed liver fibrosis and abnormal glucose metabolism. UDCA administration improved liver fibrosis, increased islet area, decreased glucose levels, inhibited genes in BA synthesis, enhanced TGR5 gene expression in the intestine, and further improved islet function. [ABSTRACT FROM AUTHOR]

A picosecond synchronously pumped terahertz optical parametric oscillator based on silicon membrane waveguide (Si‐based WTPO) is proposed and numerically simulated. Through designing the structure parameters of the silicon membrane waveguide, a broadband terahertz frequency range is obtained by satisfying the phase matching condition. The parametric oscillation process and output characteristics of Si‐based WTPO are numerically analyzed by solving the four‐wave mixing coupled‐wave equations, and the result has indicated that the parametric oscillation within the resonant cavity can apparently enhance the output terahertz wave power. Meanwhile, high bandwidth and efficiency output terahertz wave can be obtained, and too high pump power will lead to a reaction of reverse conversion. Finally, the threshold pump power is calculated. The Si‐based WTPO system we proposed is expected to make some contributions to the study of compact and efficient terahertz wave sources. [ABSTRACT FROM AUTHOR]

Decellularized xenogeneic vascular grafts can be used in revascularization surgeries. We have developed decellularization methods using high hydrostatic pressure (HHP), which preserves the extracellular structure. Here, we attempted ex vivo endothelialization of HHP-decellularized xenogeneic tissues using human endothelial cells (ECs) to prevent clot formation against human blood. Slices of porcine aortic endothelium were decellularized using HHP and coated with gelatin. Human umbilical vein ECs were directly seeded and cultured under dynamic flow or static conditions for 14 days. Dynamic flow cultures tend to demonstrate higher cell coverage. We then coated the tissues with the E8 fragment of human laminin-411 (hL411), which has high affinity for ECs, and found that Dynamic/hL411showed high area coverage, almost reaching 100% (Dynamic/Gelatin vs Dynamic/hL411; 58.7 ± 11.4 vs 97.5 ± 1.9%, P = 0.0017). Immunostaining revealed sufficient endothelial cell coverage as a single cell layer in Dynamic/hL411. A clot formation assay using human whole blood showed low clot formation in Dynamic/hL411, almost similar to that in the negative control, polytetrafluoroethylene. Surface modification of HHP-decellularized xenogeneic endothelial tissues combined with dynamic culture achieved sufficient ex vivo endothelialization along with prevention of clot formation, indicating their potential for clinical use as vascular grafts in the future. [ABSTRACT FROM AUTHOR]

Commercialization of all‐perovskite tandem solar cells requires thermally stable narrow‐bandgap (NBG) perovskites and tunnel junction. However, the high content of methylammonium (MA) and organic hole transport layer used in NBG perovskite subcell undermine the thermal stability of all‐perovskite tandems. Here, thermally stable mixed lead‐tin NBG perovskite solar cells (PSCs) are developed by using only formamidinium (FA) for the A‐site cation. Solution‐processed indium tin oxide nanocrystals (ITO NCs) are deployed further to replace the conventional organic charge transport layer. Meanwhile, the ITO NCs layer simultaneously functions as a recombination layer in the tunnel junction, which simplifies the architecture of all‐perovskite tandem devices. The thermally stable all‐FA Pb‐Sn PSCs achieve a high power conversion efficiency (PCE) of 21.0%. With the thermally stable all‐FA NBG perovskite and optimized tunnel junction, a stabilized PCE of 26.3% is further obtained in all‐perovskite tandems. The unencapsulated tandem devices maintain >90% of their initial efficiencies after 212 h aging at 85 °C in the N2 atmosphere. The strategies herein offer a crucial step toward efficient and thermally stable all‐perovskite tandem solar cells. [ABSTRACT FROM AUTHOR]

In this paper, we consider the simultaneous inversion of the source term and the initial data for a time-fractional diffusion equation based on the additional temperatures at two fixed times t = T 1 and t = T 2 . The inverse problem is formulated on the basis of the Fourier method as an operator equation of the first kind. For the overdetermined system of linear equations, we apply the conjugate gradient method with an appropriate stopping criterion to solve the least-squares problems. The method is not only able to converge quickly, but also it can solve large-scale linear equations. Based on the proposed results, it can be seen that the iteration numbers play a role of a regularization parameter. Four numerical examples are provided to demonstrate the effectiveness of the proposed method. [ABSTRACT FROM AUTHOR]

A nitrobenzene liquid-core photonic crystal fiber (NLC-PCF) with eight elliptical air-holes in the innermost ring of the cladding is proposed in this work, and this fiber structure can contribute to flexibly adjusting dispersion and constraining the fiber core. The appreciable dispersion is realized by adjusting the structural parameters of NLC-PCF, which is characterized by three zero-dispersion wavelengths (ZDWs), flat dispersion with the fluctuation of fewer than 40 ps nm−1 km−1, and high nonlinearity as high as 5500 W−1 km−1. The propagation of femtosecond pulse and supercontinuum generation (SCG) in NLC-PCF is studied numerically when the pump wavelength is located in the normal and abnormal dispersion region near different ZDW through solving the generalized nonlinear Schrödinger equation (GNLSE) by the split-step Fourier method. The numerical results show that a highly coherent supercontinuum (SC) spanning from 1.3 to 2.8 µm is obtained when the pump pulse with the center wavelength of 1810 nm, the peak power of 1000 W, and pulse width of 50 fs propagated in the 5 cm long NLC-PCF. This research can find applications in the fields of novel liquid-core PCF design and ultrashort pulse propagation. [ABSTRACT FROM AUTHOR]

Greater perceived control is associated with better health and well‐being outcomes, possibly through more adaptive stress processes. Yet little research has examined whether facets of perceived control (personal mastery and perceived constraints) predict psychological and physiological stress reactivity. The present study evaluated the associations of personal mastery and perceived constraints with changes in subjective stress and cortisol in response to acute laboratory stressors, with age and race as potential moderators. In the Midlife in the United States Refresher Study (N = 633 adults aged 25–75), participants completed a baseline perceived control measure and were subsequently recruited to participate in the laboratory stress protocol. The protocol consisted of completing two mental stress tasks (mental arithmetic and Stroop) as well as providing saliva samples and subjective stress ratings. Race moderated the association between perceived constraints and subjective stress reactivity, such that higher constraints predicted greater subjective stress responses in White participants, but no association was observed in Black participants. Higher personal mastery and perceived constraints each predicted greater increases in cortisol in response to the stress tasks (AUCi) among younger but not older adults. These findings suggest that older adults were buffered against the association between facets of control and cortisol stress reactivity. Discussion on potential racial differences in the link between constraints and stress reactivity are elaborated further, as well as considerations for future work to distinguish between facets of control and examine age and racial differences. [ABSTRACT FROM AUTHOR]

Neoadjuvant tyrosine kinase inhibitor (TKI) therapy is an important treatment option for advanced renal cell carcinoma (RCC). Many RCC patients may fail to respond or be resistant to TKI therapy. We aimed to explore the key mechanisms of neoadjuvant therapy résistance. We obtained tumor samples from matched pre-treatment biopsy and post-treatment surgical samples and performed single-cell RNA sequencing. Sunitinib-resistant ccRCC cell lines were established. Ferroptosis was detected by ferrous ion and lipid peroxidation levels. Tumor growth and resistance to Sunitinib was validated in vitro and vivo. Immunohistochemistry was used to validate the levels key genes and lipid peroxidation. Multi-center cohorts were included, including TCGA, ICGC, Checkmate-025 and IMmotion151 clinical trial. Survival analysis was performed to identify the associated clinical and genomic variables. Intratumoral heterogeneity was first described in the whole neoadjuvant management. The signature of endothelial cells was correlated with drug sensitivity and progression-free survival. Ferroptosis was shown to be the key biological program in malignant cell resistance. We observed tissue lipid peroxidation was negatively correlated with IL6 and tumor response. TKI-resistant cell line was established. SLC7A11 knockdown promoted cell growth and lipid peroxidation, increased the ferroptosis level, and suppressed the growth of tumor xenografts significantly (P < 0.01). IL6 could reverse the ferroptosis and malignant behavior caused by SLC7A11 (−) via JAK2/STAT3 pathway, which was rescued by the ferroptosis inducer Erastin. Our data indicate that ferroptosis is a novel strategy for advanced RCC treatment, which activated by IL6, providing a new idea for resistance to TKIs. • Fill the gap in single-cell data of paired samples in pre- and post-neoadjuvant therapy of ccRCC. • Find the key cell type in RCC resistance to treatment based on multi-omics and multi-center data analyses. • New sight to the role of TILs in treatment of RCC. • The evolution of TKI-resistant tumor cells may be caused by IL6-induced ferroptosis inhibition. [ABSTRACT FROM AUTHOR]

Currently, there is a lack of data related to the growth and development regulations of male Eriocheir sinensis (E.sinensis) in rice field in northern China, which prevents timely adjustment of the nutritional structure of the feed. This has led to the poor quality of male E.sinensis , which has seriously constrained the cultivation of rice crab. Therefore, the purpose of this experiment was to study the growth, development and nutritional composition of male E.sinensis in rice field. Tissue samples from male E.sinensis were randomly collected on the 0, 15, 31, 46 and 62 days of culture for detection. The results showed that the growth performance of male E.sinensis was faster from 31 to 46 days. The levels of crude protein, crude lipid and EAA in hepatopancreas decreased from 46 to 62 days, whereas gonadal changes were not significant. The PUFA levels of muscle, hepatopancreas and gonad decreased in varying degrees from 46 to 62 days. To sum up, nutrients in hepatopancreas and gonads of male E.sinensis accumulated rapidly from July 15 to August 30. From August 30 to September 15, the nutritional quality of hepatopancreas and gonad of male E.sinensis decreased. • The nutritional components of male crabs from rice fields in northern China were analyzed. • PUFA content in hepatopancreas and gonads was higher from August 15th to August 30th. • EAA content in hepatopancreas was the highest on August 15th. [ABSTRACT FROM AUTHOR]

Training all-optical neural networks in itself remains an unresolved problem, and the challenges compound when the problem is turned into the hardware implementations. In this paper, we propose a nonlinear activation function based on optical bistability within a micro-ring resonator (MRR), achieving threshold control without external modulation. Furthermore, a convolutional neural network similar to the Le-Net-5 architecture is designed, in which all nonlinear activation functions are composed of optical bistable hysteresis loop. The numerical simulation results demonstrate that the recognition rate on the Fashion-MNIST dataset can achieve 91.3%, which means that the optical neuromorphic computation can be implemented by utilizing the nonlinear optical effects themselves in the all-optical hardware. Such a scheme promises access to the all-optical neural network training in the optical hardware environment compared to numerical activation functions. • This paper proposed a nonlinear activation function based on optical bistability within a micro-ring resonator (MRR), achieving threshold control without external modulation. Furthermore, a convolutional neural network similar to the Le-Net-5 architecture is designed, in which all nonlinear activation functions are composed of optical bistable hysteresis loops. The numerical simulation results demonstrate that the recognition rate on the Fashion-MNIST dataset can achieve 91.3%, which means that the optical neuromorphic computation can be implemented by utilizing the nonlinear optical effects themselves in the all-optical hardware. [ABSTRACT FROM AUTHOR]

Xanthoceras sorbifolium Bunge, also known as Tu-Mu-Gua and Wen-Dan-Ge-Zi, has several applications. Clinical data and experimental studies have shown anti-tumor, anti-inflammatory, anti-bacterial, and anti-oxidant properties of Xanthoceras sorbifolium Bunge that inhibits prostate hyperplasia, lowers blood pressure and lipid level, and treats enuresis and urinary incontinence. It also has neuroprotective effects and can treat Alzheimer's disease and Parkinson's syndrome. The research on the chemical composition and pharmacological effects of Xanthoceras sorbifolium Bunge has been increasing. Triterpenoid and triterpenoid saponins are the main constituents in Xanthoceras sorbifolium Bunge and exhibit biological activities. In this review, we summarized the research progress on triterpenoids and their glycosides in Xanthoceras sorbifolia , including the chemical constituents, pharmacological activities, and biogenic pathways of triterpenoid mother nucleus. The results would provide a reference for further research and development of triterpenoids and their glycosides in Xanthoceras sorbifolia. [Display omitted] • The review is an exhaustive collection of information on triterpenoid and triterpenoid saponins of Xanthoceras sorbifolium Bung. • It contains the chemical structure, pharmacological activities, and mechanism of action of triterpenoid and triterpenoid saponins. • Introduced the nuclear synthesis pathway of triterpenoid and triterpenoid saponins. [ABSTRACT FROM AUTHOR]

In this article, we investigate the inverse problem of determining source term and initial data simultaneously in a parabolic equation where data are given at two fixed times. We can get the exact solution of the problem by the Fourier transform, and find that the problem is ill-posed, i.e., the solution does not depend continuously on the input data and small errors in the data can destroy the numerical solution. Hence, a modified quasi-reversibility regularization method is used to solve the problem and an order-optimal error estimate is obtained under a suitable parameter choice rule. Finally, some numerical examples including smooth and nonsmooth functions show that the proposed method is effective and stable. [ABSTRACT FROM AUTHOR]

The heat exchange medium moderately determines the heat utilization efficiency of solar energy. Nanofluids, a type of working fluids with high thermal conductivity and strong light absorption, have been studied and applied to improve solar energy utilization. In this study, TiN@SiCw binary composite nanoparticles were prepared by a coupling agent method. The optical coupling absorption properties of TiN and SiCw nanoparticles were numerically simulated by the finite-difference time-domain method. Results showed the TiN@SiCw nanostructure can improve the width and intensity of spectral absorption. Then TiN@SiCw and SiCw nanofluids based on ethylene glycol were prepared by a two-step method and studied experimentally in terms of thermal conductivity and optical absorption. The photothermal conversion efficiency of the nanofluids was measured by a special flow and photothermal coupling model (side radiation). Experiments showed the thermal conductivity and light absorption of TiN@SiCw composite nanofluids were stronger than those of SiCw single-component nanofluids and the base fluid. Specifically, the energy absorption fraction and the photo-thermal efficiency of TiN@SiCw nanofluids at the highest concentration of 140 ppm were 96.2% and 90.5%, respectively, which were 12.1% and 21.7% higher respectively compared with SiCw nanofluids. Hence, the TiN@SiCw nanofluids are suitable for enhancing the efficiency of solar collectors. • TiN grafted SiC whisker nanostructures were prepared. • The width and intensity of solar spectral absorption can be improved by TiN@SiCw nanostructure. • The plasmonic nanofluid can realize both outstanding thermophysical properties and stability. • A photo-thermal efficiency of 90.5% is achievable for 140 ppm TiN@SiCw nanofluid. [ABSTRACT FROM AUTHOR]

Objective: Previous research shows that Neuroticism predicts exposure and affective reactivity to daily stressors. Zautra and colleagues extended this work to daily positive events. Building on these frameworks, we examined the Big Five personality traits as predictors of the occurrence and affective correlates of daily positive events. Method: Participants in two national U.S. daily diary studies (NSDE 2: N = 1,919 and NSDE Refresher: N = 778; aged 25–84) reported daily positive events, emotions specific to the events, and daily affect for 8 consecutive days. Results: In parallel analyses in both samples, Extraversion and in the NSDE Refresher sample only Openness (but not Neuroticism, Conscientiousness, or Agreeableness) predicted more frequent positive event occurrence. All Big Five traits were associated with one or more emotional experiences (e.g., calm, proud) during positive events. Neuroticism predicted greater event‐related positive affect in the NSDE 2 sample, whereas Agreeableness was related to more event‐related negative affect in the NSDE Refresher sample. Conclusions: The Big Five personality traits each provided unique information for predicting positive events in daily life. The discussion centers on potential explanations and implications for advancing the understanding of individual differences that contribute to engagement in positive experiences. [ABSTRACT FROM AUTHOR]

Cryogenic electron microscopy (cryo-EM) has revolutionized the field of structural biology, particularly in solving the structures of large protein complexes or cellular machineries that play important biological functions. This review focuses on the contribution and future potential of cryo-EM in related emerging applications—enzymatic mechanisms and dynamic processes. Work on these subjects can benefit greatly from the capability of cryo-EM to solve the structures of specific protein complexes in multiple conditions, including variations in the buffer condition, ligands, and temperature, and to capture multiple conformational states, conformational change intermediates, and reaction intermediates. These studies can expand the structural landscape of specific proteins or protein complexes in multiple dimensions and drive new advances in the fields of enzymology and dynamic processes. The advantages and complementarity of cryo-EM relative to X-ray crystallography and nuclear magnetic resonance with regard to these applications are also addressed. [ABSTRACT FROM AUTHOR]

Ferroptosis is a programmed cell death pathway discovered in recent years, and ferroptosis‐inducing agents have great potential as new antitumor candidates. Here, we report a IrIII complex (Ir1) containing a ferrocene‐modified diphosphine ligand that localizes in lysosomes. Under the acidic environments of lysosomes, Ir1 can effectively catalyze Fenton‐like reaction, produce hydroxyl radicals, induce lipid peroxidation, down‐regulate glutathione peroxidase 4, and result in ferroptosis. RNA sequencing analysis shows that Ir1 can significantly affect pathways related to ferroptosis and cancer immunity. Accordingly, Ir1 can induce immunogenic cells death and suppress tumor growth in vitro, regulate T cell activity and immune microenvironments in vivo. In conclusion, we show the potential of small molecules with ferroptosis‐inducing capabilities for effective cancer immunotherapy. [ABSTRACT FROM AUTHOR]

Ferroptosis is a programmed cell death pathway discovered in recent years, and ferroptosis‐inducing agents have great potential as new antitumor candidates. Here, we report a IrIII complex (Ir1) containing a ferrocene‐modified diphosphine ligand that localizes in lysosomes. Under the acidic environments of lysosomes, Ir1 can effectively catalyze Fenton‐like reaction, produce hydroxyl radicals, induce lipid peroxidation, down‐regulate glutathione peroxidase 4, and result in ferroptosis. RNA sequencing analysis shows that Ir1 can significantly affect pathways related to ferroptosis and cancer immunity. Accordingly, Ir1 can induce immunogenic cells death and suppress tumor growth in vitro, regulate T cell activity and immune microenvironments in vivo. In conclusion, we show the potential of small molecules with ferroptosis‐inducing capabilities for effective cancer immunotherapy. [ABSTRACT FROM AUTHOR]

Background: Comprehensive management of type 2 diabetes mellitus (T2DM) patients has a low control rate, and there is a lack of prospective studies involving clinical pharmacists in outpatient management of patients with T2DM. This study was designed to investigate the effectiveness of pharmacists participating in the comprehensive management of T2DM patients in the form of building doctor-pharmacist joint pharmacy clinic in the National Metabolic Management Center (MMC). Methods: A total of 204 patients with type 2 diabetes mellitus were enrolled and randomly divided into control group and intervention group. During the 3-month study period, both groups received standardized MMC diagnosis and treatment, and clinical pharmacists provided pharmaceutical care for the intervention group. Observation indicators include drug compliance, fasting blood glucose (FPG), glycosylated hemoglobin (HbA1c), blood pressure, blood lipid, and other comprehensive management indicators. Results: The baseline characteristics of the two groups were similar, and there was no significant difference (p > 0.05). After 3 months of follow-up, drug compliance, HbA1c, FPG, low-density cholesterol (LDL-c), and diastolic blood pressure in the intervention group were more significantly improved compared with those in the control group (p < 0.05). There was no significant difference in the incidence of adverse events between the two groups (p = 0.825). Conclusion: Clinical pharmacist can improve the comprehensive management of diabetes mellitus by building doctor-pharmacist joint pharmacy clinic for outpatients. [ABSTRACT FROM AUTHOR]

Molybdenum carbides (MoC) are regarded as promising candidates for electrocatalytic hydrogen evolution reaction (HER) as their stabilities, high conductivities. Non-metallic doping is a robust way to enhance the HER activity of MoC in experiments, yet the systematic theoretical study is still lacking. In this work, we investigate the surface doping effect on HER activity of C-terminated γ -MoC(100) by density functional theory (DFT). The thermodynamical stability and realistic catalytic surface of doped surfaces, including mono- and co-doping by three elements (N, P and S) with various doping ratios, are verified by formation energies and surface Pourbaix diagrams, respectively. According to the hydrogen adsorption ability on different coverage and the calculated exchange current densities (i 0) of the doped surfaces, the surfaces doping in range of (P% > 60% and N% > 5%), (60% < N% <85% and P% < 25%), and (60% < N% < 85% and S% < 25%), show larger i 0 (i 0 > 4 mA/cm2). Especially the N/P co-doping γ -MoC(100), their larger i 0 in greater range enables their promising excellent performance in hydrogen evolution in experiments. The improved HER activities of doped MoC(100) are ascribed to suitable hydrogen adsorption abilities tuned by suitable p z -band centers and the charge redistribution. Our DFT simulations provide more insight and guidance for improving the HER performance of electrode catalysts using non-metallic doping effects. [Display omitted] • N/P co-doped MoC(100) at any ratio shows high exchange current density for HER. • N and P doping will downshift p z -band center and tune hydrogen adsorption ability. • The charge redistribution domains the oscillation character of Δ G H in P-doped surfaces. [ABSTRACT FROM AUTHOR]

Dynamic spatial distribution and killing characteristics of warhead fragments are important topics in the field of weapon effectiveness and protection. However, there is little research on the fragment distribution formed by continuous dynamic attacks of multiple projectiles that explode above the ground. This study analyzes spatial distributions of warhead fragments using witness boards in a rectangular target test. The results show that the fragment distribution of multiple projectiles in continuous dynamic attacks demonstrates a spatial superposition characteristic. The superimposed distribution is the sum of the distributions of two independent fragment distributions. The distribution characteristics are consistent with fragment scattering behavior. Therefore, they can be used to analyze the killing effects of multiple projectiles conveniently. The effects of falling speed, falling angle, and explosion height on the damage range of fragments were explored by a fragment spatial distribution model obtained from experiments. Analysis indicates that the prefabricated fragment distribution conformed to a spatial superposition relationship under dynamic multiprojectile continuous attacks, and the superposition obeyed fragment scattering characteristics. As the projectile falling angle increased at the explosion center, or as the falling height decreased, the positive pressure duration increased gradually. The falling speed had the greatest impact on the specific impulse of overpressure. The falling angle had the greatest impact on the peak value of overpressure. Both the falling angle and the explosion height had the greatest impact on the positive pressure acting time. [ABSTRACT FROM AUTHOR]

Molecular motors convert light and thermal energies into mechanical work, offering good opportunities to design novel molecular devices. Among them, molecular motors alternate a photoisomerization and a thermal helix inversion to achieve unidirectional rotation. The rotational speed is limited by the helix inversion step, which in turn is governed by a barrier in the electronic ground state. In this work, we systematically study the solvation effect on the thermal process of selected molecular motors, comparing reaction barriers obtained from both density functional theory (DFT) in the isolated system and umbrella sampling within a hybrid quantum mechanics/molecular mechanics (QM/MM) model in solution. We find more prominent solvation effects on those molecular motors with larger dipole moments. The results could provide insight into how to functionalize molecular motors to speed up their rotation. [ABSTRACT FROM AUTHOR]

Background: The role of fungal pathogenic factors and the immune response of the vaginal epithelium in vulvovaginal candidiasis (VVC) and recurrent vulvovaginal candidiasis (RVVC) are still unclear. Our study wants to clarify whether there are differences in pathogenic factors between VVC and RVVC strains, confirm the roles of pathogenic factors in the pathogenesis of RVVC, and analyze the influence of pathogenic factors on vaginal host immunity. Methods: VVC‐ and RVVC‐causing Candida albicans strains were genotyped with 25S rDNA. Drug susceptibility assays using a modified alamarBlue broth microdilution method were carried out. Milk culture medium and egg yolk culture medium were used to measure the secreted aspartate protease (Sap) and phospholipase (Plb) activity of the samples. We used C. albicans with different Sap activity levels to induce RVVC in mice and measured interleukin 4 (IL4), interleukin 8 (IL8), and interleukin 17 (IL17) in vaginal lavage fluid at different stages of RVVC infection. Results: There were no significant differences between VVC and RVVC fungi except that the Sap activity was lower for RVVC‐causing C. albicans than for VVC‐causing C. albicans. C. albicans with both strong Sap and weak Sap induced RVVC in mice. C. albicans with strong Sap had a reduced RVVC infection rate. In addition, C. albicans with strong Sap stimulated the vaginal epithelium to secrete more IL4, IL8, and IL17. Conclusion: Compared with that of VVC‐causing C. albicans, the Sap activity of RVVC‐causing C. albicans was lower. C. albicans with strong Sap was less capable of causing repeated vaginal infections than that with weak Sap and stimulated the vaginal epithelium to produce more cytokines. [ABSTRACT FROM AUTHOR]

It is still a highly debated question as to whether fast radio bursts (FRBs) are classified into one or two populations. To probe this question, we perform a statistical analysis using the first Canadian Hydrogen Intensity Mapping Experiment Fast Radio Burst (CHIME/FRB) catalog and identify a few discriminant properties between repeating and non-repeating FRBs such as the repetition rate, duration, bandwidth, spectral index, peak luminosity, and potential peak frequency. If repeating and non-repeating FRBs belong to one population, their distribution distinctions for the repetition rate and duration can be explained by the selection effect due to the beamed emission as in Connor et al. However, we obtain that the distribution distinctions for the spectral index and potentially the peak frequency cannot be explained by the beamed emission within the framework of either the coherent curvature radiation or synchrotron maser emission. This indicates that there could be two populations. We further discuss three possible scenarios for the required two populations. [ABSTRACT FROM AUTHOR]

An ideal cancer treatment should not only destroy primary tumors but also improve the immunogenicity of the tumor microenvironment to achieve a satisfactory anti‐tumor immune effect. We designed a carbonic anhydrase IX (CAIX)‐anchored rhenium(I) photosensitizer, named CA‐Re, that not only performs type‐I and type‐II photodynamic therapy (PDT) with high efficiency under hypoxia (nanomolar‐level phototoxicity), but also evokes gasdermin D (GSDMD) mediated pyroptotic cell death to effectively stimulate tumor immunogenicity. CA‐Re could disrupt and self‐report the loss of membrane integrity simultaneously. This promoted the maturation and antigen‐presenting ability of dendritic cells (DCs), and fully activated T cells dependent adaptive immune response in vivo, eventually eliminating distant tumors at the same time as destroying primary tumors. To the best of our knowledge, CA‐Re is the first metal complex‐based pyroptosis inducer. [ABSTRACT FROM AUTHOR]

An ideal cancer treatment should not only destroy primary tumors but also improve the immunogenicity of the tumor microenvironment to achieve a satisfactory anti‐tumor immune effect. We designed a carbonic anhydrase IX (CAIX)‐anchored rhenium(I) photosensitizer, named CA‐Re, that not only performs type‐I and type‐II photodynamic therapy (PDT) with high efficiency under hypoxia (nanomolar‐level phototoxicity), but also evokes gasdermin D (GSDMD) mediated pyroptotic cell death to effectively stimulate tumor immunogenicity. CA‐Re could disrupt and self‐report the loss of membrane integrity simultaneously. This promoted the maturation and antigen‐presenting ability of dendritic cells (DCs), and fully activated T cells dependent adaptive immune response in vivo, eventually eliminating distant tumors at the same time as destroying primary tumors. To the best of our knowledge, CA‐Re is the first metal complex‐based pyroptosis inducer. [ABSTRACT FROM AUTHOR]

Polyacrylic acid (PAA) was utilized as a dispersant, while either copolymer of polyacrylic acid or polyvinyl alcohol (PVA) served as a binder for the preparation of zirconia granules using spray drying technology. Dense spherical granules were successfully obtained by employing 0.5 wt% Dispersant 1000 and 2 wt% PVA. Meanwhile, porous spherical granules were achieved when utilizing 1.5 wt% Dispersant 1,250,000 and 1 wt% PVA. Higher molecular weight dispersant necessitates larger mass for optimal addition. Compared to polyacrylic acid copolymer, PVA significantly improves the slurry viscosity and reduces the settling speed. A hypothesis is proposed that a three-dimensional network is formed by hydrogen bonding between PAA and PVA in the slurry, wherein zirconia particles and organic additives are uniformly immobilized, thereby facilitating the formation of spherical granules. By adjusting the molecular weight of PAA, enabling manipulation of dried granules morphology to achieve either dense or porous spherical granules. [Display omitted] • Spray dryed porous or dense spherical zirconia granules with slurry containing PAA and PVA. • Three-dimensional network through hydrogen bonding between dispersant and binder determines the granule morphology. • Slurry containing large molecular weight PAA and PVA introduces porous spherical granules. [ABSTRACT FROM AUTHOR]