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Understanding the cognitive processing mechanism of rule violation is required as the basis for preventing rule violation and promoting rule compliance. Here, we review the cognitive processing of rule violations. After reviewing the theories and evidence on the cognitive processes involved in rule violations, a new model is proposed. The model decomposes the cognitive processes of rule violation into three: activation, conflict, and inhibition. Specifically, when individuals encounter a situation in which a rule violation is possible or tasks that require violating the rules, the rule-based and violation responses are successively and simultaneously activated in the mind. The simultaneous activation of the two responses causes individuals to experience a response-selection conflict during the initiation phase and a motor-execution conflict during the execution phase. After the individual decides whether to violate the rules, the activation of the two responses is inhibited to a varying degree. Currently, the understanding of the cognitive processing of rule violation is limited and worth of further investigation. Therefore, future research should improve the existing paradigm of rule violation, enhance the ecological validity of experimental designs, and explore irrational, cognitive, and social factors in the cognitive processing of rule violation. [ABSTRACT FROM AUTHOR]

Performance improvement to epoxy (EP)‐based composites is imperative yet a challenge for the application of high‐quality tribo‐materials. In this study, we reported the successful construction of a Setaria viridis‐like heterostructure using the fine nickel phyllosilicate lamellae to decorate the rod‐shaped polyaniline, and the corresponding polymer composites involving diverse mass ratios of EP resin and the heterostructures were prepared successively. The dry‐sliding tests confirmed the created composites had a significantly enhanced resistance to wear, and a concentration of 5% heterostructures dropped the wear rate to the lowest value of 1.5 × 10−5 mm3/Nm, which was ca. 78.6% lower than pure resin. The augmented wear resistance should be closely related to the enhanced strength, stiffness, and hardness. Moreover, the introduced heterostructures also improved the thermal stabilities of EP‐based composites, shifting the thermal decomposition to higher temperatures and restraining the mass loss rate to some extent. This study offered a promising pathway to develop high‐quality polymeric tribo‐materials. Highlights: A Setaria viridis‐like heterostructures of PANI@NiPS were facilely synthesized.Adequate PANI@NiPS enhanced the tensile properties and hardness moderately.PANI@NiPS showed a considerable positive influence on wear resistance.PANI@NiPS improved the thermal stabilities of EP composites. [ABSTRACT FROM AUTHOR]

The performance of perovskite solar cells with inverted polarity (p-i-n) is still limited by recombination at their electron extraction interface, which also lowers the power conversion efficiency (PCE) of p-i-n perovskite-silicon tandem solar cells. A MgFx interlayer with thickness of ~1 nanometer at the perovskite/C60 interface favorably adjusts the surface energy of the perovskite layer through thermal evaporation, which facilitates efficient electron extraction and displaces C60 from the perovskite surface to mitigate nonradiative recombination. These effects enable a champion open-circuit voltage of 1.92 volts, an improved fill factor of 80.7%, and an independently certified stabilized PCE of 29.3% for a monolithic perovskite-silicon tandem solar cell ~1 square centimeter in area. The tandem retained ~95% of its initial performance after damp-heat testing (85°C at 85% relative humidity) for ’1000 hours. [ABSTRACT FROM AUTHOR]

A thermal calculation based on a table of thermal properties of gas was carried out for a micro gas turbine system without a recuperator. The performance parameters of the micro gas turbine system were obtained. The results of the thermal calculations were verified using ASPEN PLUS, and it shows that the thermal calculations fit well with the ASPEN simulation results. Based on this thermal calculation method, the variation of the performance parameters of the micro gas turbine system under different pressure and temperature ratios was analyzed. The results show that there is no optimum pressure ratio within the general design parameters of micro gas turbines, which leads to extreme values of thermal efficiency. The NOx generation in the combustion chamber of the micro gas turbine based on the Zeldovich mechanism was modeled and analyzed by coupling the 1-D thermal calculation model with the NOx emission model. The relationship between NOx generation rate, molar fuel factor, the characteristic pressure, and the characteristic temperature was obtained. The results of the analysis show that, in terms of controlling NOx emissions from a gas turbine, the use of an increased pressure ratio has a significant advantage over an increased temperature ratio to improve the thermal efficiency of the micro gas turbine. [ABSTRACT FROM AUTHOR]

We have previously demonstrated that the Na-K-ATPase signaling-mediated oxidant amplification loop contributes to experimental uremic cardiomyopathy and anemia induced by 5/6th partial nephrectomy (PNx). This process can be ameliorated by systemic administration of the peptide pNaKtide, which was designed to block this oxidant amplification loop. The present study demonstrated that the PNx-induced anemia is characterized by marked decreases in red blood cell (RBC) survival as assessed by biotinylated RBC clearance and eryptosis as assessed by annexin V binding. No significant change in iron homeostasis was observed. Examination of plasma samples demonstrated that PNx induced significant increases in systemic oxidant stress as assessed by protein carbonylation, plasma erythropoietin concentration, and blood urea nitrogen. Systemic administration of pNaKtide, but not NaKtide (pNaKtide without the TAT leader sequence) and a scramble "pNaKtide" (sc-pNaKtide), led to the normalization of hematocrit, RBC survival, and plasma protein carbonylation. Administration of the three peptides had no significant effect on PNx-induced increases in plasma erythropoietin and blood urea nitrogen without notable changes in iron metabolism. These data indicate that blockage of the Na-K-ATPase signaling-mediated oxidant amplification loop ameliorates the anemia of experimental renal failure by increasing RBC survival. [ABSTRACT FROM AUTHOR]

[Display omitted] • Inhibitory effects of CG and its major components on Anammox were assessed. • Methanol is the major compound in CG responsible for the Anammox inhibition. • 153.7 mg CG-COD L-1 or COD/TIN ratio of > 1.3 can cause Anammox inhibition by 20 %. • Increasing the substrate level can promote the Anammox activity inhibited by CG. • Anammox inhibition by CG is through a non-competitive inhibition mechanism. This work investigated the impact of a waste-derived carbon source, crude glycerol (CG), on Anammox. Batch bioassays were conducted to identify inhibitory component(s) in CG, and the relationship between Anammox activity and the concentration of CG, pure glycerol, and methanol were assessed. The results showed that the half-maximal inhibitory concentration of CG and methanol are 434.5 ± 51.8 and 143.0 ± 19.6 mg chemical oxygen demand (COD) L-1, respectively, while pure glycerol at 0–2283 mg COD L-1 had no significant adverse effect on Anammox. The results suggested methanol is the major inhibitor in CG via a non-competitive inhibition mechanism. COD/total inorganic nitrogen ratio of > 1.3 was observed to cause a significant Anammox inhibition (>20 %), especially at low substrate level. These results are valuable for evaluating the feasibility of using CG for nitrogen removal in water resource recovery facilities, promoting sustainable development. [ABSTRACT FROM AUTHOR]

Swarm intelligence algorithms own superior performance in solving high-dimensional and multi-objective optimization problems. The application of the swarm intelligence algorithms to visible and near-infrared (VIS-NIR) spectral analysis of soil moisture can contribute to the optimization of the soil moisture prediction model and the development of the real-time soil moisture sensor. In this study, a high-resolution spectrometer was used to obtain spectral data of different levels of soil moisture which were manually configured. Isolation Forest algorithm (iForest) was used to eliminate outliers from the data. Based on the root mean square error of prediction RMSEP of Back Propagation Neural Network (BPNN) model results, a series of new swarm intelligence algorithms, including Manta Ray Foraging Optimization (MRFO), Slime Mould Algorithm (SMA), etc., were used to select the characteristic wavelengths of soil moisture. The analysis results showed that MRFO owned the best performance if only from the predictive capability perspective and SMA had a better performance when considering the proportion of the selecting wavelengths and the results of the model prediction. By comparing and analyzing the modeling results of traditional intelligence algorithms Genetic Algorithm (GA) and Particle Swarm Optimization (PSO), it was found that the new swarm intelligence had a better performance in selecting the characteristic wavelengths of soil moisture. Integrating the results of all intelligence algorithms used, soil moisture sensitive wavelengths were selected as 490 nm, 513 nm, 543 nm, 900 nm and 926 nm, which provide the basis for the design of real-time soil moisture sensor based on VIS-NIR. [ABSTRACT FROM AUTHOR]

Biodegradable packaging films containing natural bioactive ingredients emerge nowadays to respond to increasing demands for safety, health, and sustainability in the food industry. The biodegradable active composite films were constructed for the first time using chia seed mucilage (CSM) and chitosan (CS) as film-forming materials and Xanthoceras sorbifolium Bunge (X. sorbifolium) leaf extract as an active ingredient, namely the CSM/CS/X films. The effects of active component contents (0, 2, 4, 6, and 8 wt%) on the microstructure, mechanical, thermodynamic properties, antioxidant, and antibacterial activities of the composite film were studied. Interestingly, the CSM/CS/X4 film which contains 4 wt% of X. sorbifolium leaf extract has relatively better micromorphology and performance than other films. Compared with the blank CSM/CS film, the CSM/CS/X films incorporated with X. sorbifolium leaf extract sustainably display good antioxidant and antibacterial activities. The all-atom molecular dynamics simulations reveal the helix structure of the CSM/CS/X films, showing that introducing extract promotes the formation of the composite film through enhanced Coulomb and van der Waals interactions. The results suggest that low-value X. sorbifolium leaf can be used to prepare eco-friendly functional packaging films, which are expected to replace petroleum-based packaging materials that can improve the quality and freshness of food. The study provides a new and effective way for the recycling and value-added utilization of biowaste. [Display omitted] • Chia seed mucilage/chitosan/ Xanthoceras sorbifolium leaf extract (CSM/CS/X) films are prepared. • 4 wt% Xanthoceras sorbifolium leaf extract improves the performance of the composite film. • Formation of CSM/CS/X film is driven by Coulomb and van der Waals interactions. • CSM/CS/X films have good antioxidant and antibacterial activities. • CSM/CS/X films with good biodegradability are promising for packaging applications. [ABSTRACT FROM AUTHOR]

Objectives: To explore the potential of radiomics features to predict the histologic grade of nonfunctioning pancreatic neuroendocrine tumor (NF-PNET) patients using non-contrast sequence based on MRI. Methods: Two hundred twenty-eight patients with NF-PNETs undergoing MRI at 5 centers were retrospectively analyzed. Data from center 1 (n = 115) constituted the training cohort, and data from centers 2–5 (n = 113) constituted the testing cohort. Radiomics features were extracted from T2-weighted images and the apparent diffusion coefficient. The least absolute shrinkage and selection operator was applied to select the most important features and to develop radiomics signatures. The area under receiver operating characteristic curve (AUC) was performed to assess models. Results: Tumor boundary, enhancement homogeneity, and vascular invasion were used to construct the radiological model to stratify NF-PNET patients into grade 1 and 2/3 groups, which yielded AUC of 0.884 and 0.684 in the training and testing groups. A radiomics model including 4 features was constructed, with an AUC of 0.941 and 0.871 in the training and testing cohorts. The fusion model combining the radiomics signature and radiological characteristics showed good performance in the training set (AUC = 0.956) and in the testing set (AUC = 0.864), respectively. Conclusion: The developed model that integrates radiomics features with radiological characteristics could be used as a non-invasive, dependable, and accurate tool for the preoperative prediction of grade in NF-PNETs. Clinical relevance statement: Our study revealed that the fusion model based on a non-contrast MR sequence can be used to predict the histologic grade before operation. The radiomics model may be a new and effective biological marker in NF-PNETs. Key Points: The diagnostic performance of the radiomics model and fusion model was better than that of the model based on clinical information and radiological features in predicting grade 1 and 2/3 of nonfunctioning pancreatic neuroendocrine tumors (NF-PNETs). Good performance of the model in the four external testing cohorts indicated that the radiomics model and fusion model for predicting the grades of NF-PNETs were robust and reliable, indicating the two models could be used in the clinical setting and facilitate the surgeons' decision on risk stratification. The radiomics features were selected from non-contrast T2-weighted images (T2WI) and diffusion-weighted imaging (DWI) sequence, which means that the administration of contrast agent was not needed in grading the NF-PNETs. [ABSTRACT FROM AUTHOR]

Power system load forecasting is a method that uses historical load data to predict electricity load data for a future time period. Aiming at the problems of general prediction accuracy and slow prediction speed in using typical machine learning methods, an improved fuzzy support vector regression machine method is proposed for power load forecasting. In this method, the boundary vector extraction technique is employed in the design of the membership function for fuzzy support vectors to differentiate the importance of different samples in the regression process. This method utilizes a membership function based on boundary vectors to assign differential weights to different sample points that used to differentiate the importance of different types of samples in the regression analysis process in order to improve the accuracy of electricity load prediction. The key parameters of the fuzzy support vector regression model are optimized, further enhancing the precision of the forecasting results. Simulation experiments are conducted using real power load data sets, and the experimental results demonstrate the effectiveness of the proposed method in terms of accuracy and speed in predicting power load data compared to other prediction models. This method can be widely applied in real power production and scheduling processes. [ABSTRACT FROM AUTHOR]

Antioxidant activity is an important characteristic for evaluating the quality and efficacy of tea products. In order to establish an electrochemical analysis method for intelligently monitoring the changes in antioxidant activities of stored green tea products, the cyclic voltammetry technique was used to detect the electrochemical response information of 15 green tea products stored for 0, 3, 6, 9, and 12 months, and ten electrochemical feature parameters were extracted. Combined with partial least squares discriminant analysis and hierarchical clustering analysis, five parameters (Δ E p , i pa , Q pa , E pc , and E pa) with variable importance in projection value greater than 1 were selected as feature variables. An artificial neural network (ANN) prediction model for predicting the changes of antioxidant activity descriptors (DPPH, ABTS, FRAP, and TRC) of stored green tea was established. Interestingly, the established ANN can predict the antioxidant activities of tea products from the electrochemical parameters in an explainable manner. The mean absolute percentage errors of the predicted values are within 2% compared with the measured ones, indicating that the prediction model is reliable and accurate. The combination of the electrochemical feature and ANN model effectively compresses the data and shortens the analysis time through self-learning training, which contributes to the intelligent regulation of tea products. The proposed method is efficient, accurate, and eco-friendly, which is attractive from academic and industrial points of view. • An antioxidant activity evaluation method was proposed for stored green tea. • An artificial neural network was established in an explainable manner. • The artificial neural network can accurately predict antioxidant descriptors. • The errors of the predicted values are within 2% of the measured ones. • Joint electrochemistry and machine learning contribute to intelligent regulation. [ABSTRACT FROM AUTHOR]

The incidence of breast cancer in China was 19.2% in 2018, with a five-year survival rate of up to 80%. The impairments that may result from breast cancer treatment, such as lymphedema, pain, and symptoms related to nerve damage, could have long-term side effects. Its prevalence and symptom profile have been commonly reported in various countries, but such data are rarely available for China. Physical function was assessed in 138 breast cancer survivors (BCSs) in the study. The prevalence of lymphedema (65.9%) was higher than that of pain (31.2%), shoulder range of motion (ROM) restriction (20.3%), grip strength restriction (GSR) (21.7%) and paresthesia (11.6%). These impairments mainly appeared within 28 months after breast cancer diagnosis, but could happen in 10 years. Carcinoma in situ and radiotherapy (RT) were related to the occurrence of lymphedema (respectively B = -1.8, p = 0.003; B = 1.3, p = 0.001). RT and delayed rehabilitation time (DRT) may increase the severity of lymphedema (respectively p = 0.003, p = 0.010). Breast conserving surgery (B = -2.1, p = 0.002) and the occurrence of AWS (B = 3.1, p = 0.006) were related to the occurrence of pain. The occurrence of brachial plexus injury (BPI) (B = 3.1, p < 0.001) and pain (B = 1.9, p = 0.002) improved the occurrence of shoulder ROM restriction. The occurrence of BPI (B = 3.6, p < 0.001) improved the occurrence of GSR. The occurrence of pain (B = 2.1, p = 0.001) improved the occurrence of paresthesia. These findings prompt us to further investigate the actual rehabilitation needs of survivors and the specific barriers to rehabilitation in the following research. [ABSTRACT FROM AUTHOR]

• Focal plantarflexor vibration reduced poststroke spasticity. • Focal tibialis anterior vibration may improve ambulation more effectively. • Focal gastrocnemius vibration may reduce spasticity by changing muscle stiffness. Post-stroke spasticity is a cause of gait dysfunction and disability. Focal vibration (FV) of agonist-antagonist upper limb muscle pairs reduces flexor spasticity; however, its effects on ankle plantarflexor spasticity are uncertain. To assess the effects of focal vibration administered by a trained operator to the ankle plantarflexor and dorsiflexor muscles on post-stroke lower limb spasticity. A randomized, single-blind controlled trial of 64 participants with stroke and plantarflexor spasticity assigned to 3 groups by centralized, computer-generated randomization (1:1:1): 1) physiotherapy alone (CON), 2) physiotherapy+gastrocnemius vibration (FV_GM) and 3) physiotherapy+tibialis anterior vibration (FV_TA). Physiotherapists and assessors were blinded to group assignment. The experimental groups underwent 15, 20-min vibration sessions at 40 Hz. We performed evaluations at baseline and after the final treatment: Modified Ashworth Scale (MAS), Clonus scale, Functional Ambulation Categories (FAC), Fugl-Meyer Assessment - Lower Extremity (FMA_LE), Modified Barthel Index (MBI), and electromyography and ultrasound elastography. Primary outcome was remission rate (number and proportion of participants) of the MAS. MAS remission rate was higher in FV_GM and FV_TA than CON groups (CON vs. FV_GM: p=0.009, odds ratio 0.15 [95% confidence interval 0.03-0.67]; CON vs. FV_TA: p=0.002, 0.12 [0.03-0.51]). Remission rate was higher in the experimental than CON groups for the Clonus scale (CON vs. FV_GM: p<0.001, OR 0.07 [95% CI 0.01–0.31]; CON vs. FV_TA: p=0.006, 0.14 [95% CI 0.03–0.61]). FAC remission rate was higher in the FV_TA than the CON (p=0.009, 0.18 [0.05–0.68]) and FV_GM (p=0.014, 0.27 [0.07–0.99]) groups. Ultrasound variables of the paretic medial gastrocnemius decreased more in FV_GM than CON and FV_TA groups (shear modulus: p=0.006; shear wave velocity: p=0.008). Focal vibration reduced post-stroke spasticity of the plantarflexor muscles. Vibration of the tibialis anterior improved ambulation more than vibration of the gastrocnemius or physiotherapy alone. Gastrocnemius vibration may reduce spasticity by changing muscle stiffness. [ABSTRACT FROM AUTHOR]

A fire protection system takes on a critical significance to building operation. This paper describes the use of digital twins (DTs) and semantic web technologies for the intelligent control of building fire protection (BFP) systems in fire accidents. Specifically, a data fusion stage and several information-based control mechanisms are involved in the use of the two technologies. A designed BFP ontology is considered as the semantic model and basis of data fusion between the static building geometric information and the dynamic sensing data. The above information is incorporated into a DT data model, which is considered as the mapping of physical space. Moreover, rule models and process models are developed to achieve intelligent control mechanisms and keep the DT data model synced with the physical space. A case study based on a fire accident simulation was conducted to verify the feasibility of the use of DTs and semantic web technologies. • The DT framework includes data fusion and information-based control mechanisms. • An ontology is designed as the semantic model for data fusion. • Linked data method is used to integrate static and dynamic data into an RDF graph. • Rule model and process model are used to achieve intelligent control mechanisms. • This paper offers new ideas for active control of building fire protection systems. [ABSTRACT FROM AUTHOR]

[Display omitted] • Ab initio studies on atomic and electronic structures of osmolyte glycine betaine (GB). • The solvent effects were studied using a hybrid explicit–implicit solvation model. • GB and its protonated form GBH bind water in a dramatically different way. • GB can bind with more water molecules than GBH due to variation of electron density. • Microsolvated structures are supported by modeling core-electron spectra. Glycine betaine (GB), a naturally occurring osmolyte, has many biological functions and is used in food supplements, pharmaceuticals, and animal feed. GB usually exists as a zwitterion in aqueous solutions. Due to the hygroscopic property of GB, protonated form of GB, GBH+ (noted as GBH) is often used. In order to understand the hydration structures of GB and GBH at the atomic and electronic-structure level, a combination of ab initio molecular dynamics simulations and electronic structure calculations based on density functional theory (DFT), single-excitation configuration interaction method, and coupled-cluster ansatz was utilized. A hybrid explicit–implicit solvation model was used to elucidate solvent effects. Within the hybrid scheme, microsolvated structures of GB and GBH with up to 100 water molecules were obtained, showing that water molecules bind to GB and GBH in a dramatically different manner. By calculating the molecular electron-density distributions at PBE0-D4/def2-TZVP level, it shows that the variation of electron density for GB is more significant than GBH, suggesting that GB can interact with more water molecules than GBH. The interaction energies of GB–(H 2 O) n and GBH–(H 2 O) n systems (n = 1–6) at DLPNO-CCSD(T)/cc-pVQZ level highlight the difference from an energy point of view. Using the microsolvated structures of GB and GBH, the features of experimental K-edge spectra can be reproduced using the efficient PNO-ROCIS/B3LYP method, implying the reliability of the hybrid explicit–implicit solvation approach. The results suggest that complementary insights into the geometries and electronic structures of GB and GBH could be obtained through combined methods, which provides a methodological approach for understanding the hydration structures of zwitterionic and charged molecules. [ABSTRACT FROM AUTHOR]

[Display omitted] • X-ray photoelectron spectroscopy-based method was proposed for tea classification. • Relationship between binding energy and tea polyphenols was investigated. • More than 90% of tested tea can be successfully classified within minutes. • Results from theory and experiment provide an innovative methodology reference. The classification of tea products is nowadays mainly determined by sensory assessment and chemical analysis methods. These methods are subjective, time-consuming, and laborious. In this work, a rapid analytical method for tea classification was proposed on the basis of X-ray photoelectron spectroscopy (XPS) and quantum chemical calculation. A total of 56 kinds of tea products were studied. By utilizing the data fusion strategy, the correlation between XPS peak parameters and tea characteristics was established. The quantum chemical calculations of the core-level ionization potentials deepen the understanding of the XPS features. The binding energy of the main fitted peak for O 1s, BE1 O1s , was found to have a good correlation with tea polyphenols contents, which can be used to classify tea products into six tea types (black, dark, green, oolong, white, and yellow tea) with an accuracy greater than 90 %. The results suggest that the proposed XPS method is suitable for the rapid discrimination of tea classification, which contributes to the efficient application of tea. [ABSTRACT FROM AUTHOR]

Air pollution by trace levels of nitric oxide (NO) pollution is threatening human health by causing acid rain and haze pollution through photochemical reactions. Here, we review photocatalytic technologies that use oxygen vacancy engineering-mediated nanomaterials for the control of air pollutants such as NO and nitrogen dioxide. We present oxygen vacancy parameters and reactor regulation mechanisms. We explain the functions of oxygen vacancies in the adsorption and enrichment processes of NO on the photocatalyst surface. We highlight the relationship between oxygen vacancies and O2 activation in photocatalytic reactions. The mechanisms ruling selectivity in NO photodegradation, and the suppression of photocatalyst deactivation are discussed. [ABSTRACT FROM AUTHOR]

• A "gray-box" approach for code compliance checking is proposed. • The proposed approach is comprised of four ontologies and two sets of rules. • A pre-processing of input building model ontology is required to achieve time saving. • Ontology mapping could support mitigating semantic ambiguities and enriching semantics of building information. Code compliance checking plays a critical role that identifies substandard designs according to regulatory documents and promises the accuracy of the designs before construction. However, the traditional code compliance checking process relies heavily on human work. To help the users better understand the checking process, this study proposes a gray-box checking technique and a BIM-based (Building Information Modeling) automated code compliance checking methodology that leverages ontology. The proposed approach contains a code ontology, a designed model ontology, a merged ontology, a code compliance checking ontology, a set of mapping rules, and a set of checking rules. During the checking process, the ontologies provide knowledge bases, and the rules provide necessary logic. A five-step roadmap is proposed for code ontology development for domain experts. For the time being, pre-processing is applied to create the designed model ontology to achieve time saving. Next, an ontology mapping procedure between the code and the designed model ontology is executed to obtain the merged ontology. In the ontology mapping procedure, the mapping rules aim to mitigate the semantic ambiguity between design information and regulatory information and enrich building information's semantics. Subsequently, rule-based reasoning is applied based on the checking rules and the merged ontology for checking reports generation. Finally, according to Chinese building codes, an automated code compliance checking platform is implemented for real construction projects to validate the proposed methodology. [ABSTRACT FROM AUTHOR]

• MXD / SA hydrogel formed by minoxidil (MXD), salicylic acid (SA), and carbomer matrix. • Rheology, thermal stability, and permeability can be altered by supramolecular modifications. • MXD / SA hydrogel exhibits highly ordered networks and porous structures. • Molecular dynamic simulations reveal interactions in MXD / SA hydrogel. • In vivo studies suggest enhanced therapeutic effects for alopecia. Although alopecia does not cause apparent physical discomfort, it can significantly affect the quality of life and mental health of patients. In order to develop a new strategy for alopecia treatment, a supramolecular hydrogel formulation was prepared based on the carbomer matrix and drug salt of minoxidil (MXD) and salicylic acid (SA). The MXD / SA crystalline solid was characterized using X-ray crystallography and X-ray photoelectron spectroscopy. The prepared MXD / SA supramolecular hydrogel was studied by Fourier-transform infrared spectroscopy, thermal analysis, rheological assay, in vitro diffusion and penetration, scanning electron microscope, and molecular dynamics simulations. The experimental and theoretical results reveal that supramolecular interactions can alter the porous network of hydrogels, leading to enhanced thermal stability, transdermal diffusion, and temperature-responsive skin adhesion. Furthermore, the results of in vivo hair growth model and histological analysis indicate that the MXD / SA hydrogel not only accelerates hair growth but also improves hair follicle regeneration ability. Therefore, the MXD / SA hydrogel has the potential for the efficient treatment of alopecia, providing an important pathway to arrange the formulations that can utilize the supramolecular interactions for improved therapeutic efficacy. [Display omitted] [ABSTRACT FROM AUTHOR]

[Display omitted] A novel series of 2-styryl-5-hydroxy-4-pyrone derivatives and analogues were designed and synthesized as H 3 receptor antagonism based multitarget-directed ligands (MTDLs) for AD therapy using pharmacophore-combine strategy. The 2-styryl-5-hydroxy-4-pyrone pharmacophore with metal ion chelation, antioxidation, and A β aggregation inhibition activities was employed as the "eastern part", and a typical phenoxyalkylamine moiety was used as "central ring + western part" of the H 3 receptor antagonist. The biological evaluation revealed that the majority of the target compounds demonstrated desirable multiple functions. The two most promising compounds 8a and 8b exhibited nanomolar IC 50 values on H 3 receptor antagonism, excellent metal ion chelating capability, more potent ABTS + scavenging activity than Trolox, efficient A β self-aggregation and Cu2+-induced aggregation inhibitory activities, as well as disaggregation activities against A β self/Cu2+-induced aggregation. [ABSTRACT FROM AUTHOR]

Pulsating aurora, which consists of diffuse patches blinking on and off, is caused by pitch angle scattering of radiation belt electrons into the loss cone by lowerband chorus waves. Understanding the drivers of pulsating aurora is important as it is a long-lasting and widespread phenomenon, accounting for significant energy transfer from the solar wind into the ionosphere. Substorm injections, which transport electrons from the magnetotail into the inner magnetosphere, are one source of electrons in this region. Injections have been observed simultaneously with pulsating aurora during conjunctions between ground cameras and satellites. In addition, previous work has also shown that substorms can enhance chorus activity (the fundamental process that produces pulsating aurora), providing a mechanism linking substorms to pulsating aurora. To further study this connection, we used the Van Allen Probes and all-sky cameras to look at events where pulsating aurora and substorm injections were observed at different locations in Magnetic Local Time (MLT), rather than focusing only on conjunctions. To make this comparison, we calculated the drift rate of electrons originating from observed injections and projected their motion forward in time until their Magnetic Local Time was the same as the ground camera. When the electrons are located at the same MLT as the ground camera, the pulsating aurora they cause would most likely occur in the field of view of the camera. We compared the time drifting substorm-injected particles arrived at the MLT of the camera to when pulsating aurora was observed. We found several instances where the initiation or intensification of pulsating aurora was accompanied by the arrival of substorm-injected electrons. This observation gives further evidence that pulsating aurora can be enhanced by or occur after substorm injections. [ABSTRACT FROM AUTHOR]

Pulsating aurora, which consists of diffuse patches blinking on and off, is caused by pitch angle scattering of radiation belt electrons into the loss cone by lower-band chorus waves. Understanding the drivers of pulsating aurora is important as it is a long-lasting and widespread phenomenon, accounting for significant energy transfer from the solar wind into the ionosphere. Substorm injections, which transport electrons from the magnetotail into the inner magnetosphere, are one source of electrons in this region. Injections have been observed simultaneously with pulsating aurora during conjunctions between ground cameras and satellites. In addition, previous work has also shown that substorms can enhance chorus activity (the fundamental process that produces pulsating aurora), providing a mechanism linking substorms to pulsating aurora. To further study this connection, we used the Van Allen Probes and all-sky cameras to look at events where pulsating aurora and substorm injections were observed at different locations in Magnetic Local Time (MLT), rather than focusing only on conjunctions. To make this comparison, we calculated the drift rate of electrons originating from observed injections and projected their motion forward in time until their Magnetic Local Time was the same as the ground camera. When the electrons are located at the same MLT as the ground camera, the pulsating aurora they cause would most likely occur in the field of view of the camera. We compared the time drifting substorm-injected particles arrived at the MLT of the camera to when pulsating aurora was observed. We found several instances where the initiation or intensification of pulsating aurora was accompanied by the arrival of substorm-injected electrons. This observation gives further evidence that pulsating aurora can be enhanced by or occur after substorm injections. [ABSTRACT FROM AUTHOR]

Purpose: The current study investigated English prosodic focus marking by autistic and typically developing (TD) Cantonese trilingual children, and examined the potential differences in this regard compared to native English-speaking children. Method: Forty-eight participants were recruited with 16 speakers for each of the three groups (Cantonese-speaking autistic [CASD], Cantonese-speaking TD [CTD], and English-speaking TD [ETD] children), and prompt questions were designed to elicit desired focus type (i.e., broad, narrow, and contrastive focus). Mean duration, mean fundamental frequency (F0), F0 range, mean intensity, and F0 curves were used as the acoustic correlates for linear mixed-effects model fitting and functional data analyses in relation to groups and focus conditions (i.e., broad, narrow, and contrastive pre-, on-, and post-focus). Results: The CTD group had post-focus compression (PFC) patterns via reducing mean duration, narrowing F0 range, and lowering mean F0, F0 curve, and mean intensity for words under both narrow and contrastive post-focus conditions, while the CASD group only had shortened mean duration and lowered F0 curves. However, neither the CTD group nor CASD group showed much of onfocus expansion (OFE) patterns. The ETD group marked OFE by increasing mean duration, mean F0, mean intensity, and higher F0 curve for words under on-focus conditions. Conclusions: The CTD group utilized more acoustic cues than the CASD group when it comes to PFC. The ETD group differed from the CASD and CTD groups in the use of OFE. Furthermore, both the CASD and CTD groups showed positive first language transfer in the use of duration and intensity and, potentially, successful acquisition in the use of F0 for prosodic focus marking. Meanwhile, the differences in the use of OFE between the Cantonese-speaking and English-speaking groups, not PFC, might indicate that Cantonese-speaking children acquire PFC prior to OFE. [ABSTRACT FROM AUTHOR]

Chemoselective, living/controlled polymerizations of allyl methacrylate (AMA) and vinyl methacrylate (VMA) with/without methyl methacrylate (MMA) by using the phosphonium ylide/organoaluminum based Lewis pairs (LPs) have been realized. The P-ylide-2/AlMe(BHT)2 (P-ylide-2 = Ph3P=CHMe and BHT = 2,6-iBu2-4-MeC6H2O) was demonstrated to be superior by which homopolymers PAMAs (Mn=27.6–111.5 kg/mol and Đ=1.14–1.25) and PVMAs (Mn=28.4–78.4 kg/mol and Đ=1.12–1.18) and block copolymers PMMA-b-PAMA, PAMA-b-PVMA, PAMA-b-PMMA, PMMA-b-PAMA-b-PMMA, PAMA-b-PMMA-b-PAMA, and PAMA-b-PVMA-b-PAMA were synthesized. In the polymerizations, all of the monomers were reacted by the conjugated ester vinyl groups leaving intactly the nonconjugated acryloxy groups. The pendant acryloxy groups attached to the main chain enable further to post-functionalization by the AIBN-induced radical "thiol-ene" reaction using PhCH2SH. The thiolether side group-containing polymers PAMA-SCH2Ph and PAMA-SCH2Ph-b-PMMA-b-PAMA-SCH2Ph were thus prepared. [ABSTRACT FROM AUTHOR]

Summary: Rhodotorula mucilaginosa resists heavy metal (HM) stress because of its abundant extracellular polymeric substances and functional vesicles. In this study, we provided new insights into its survival strategies at both biochemical and genetic levels. After lead exposure, carotenoid biosynthesis was initiated within 24 h incubation and then increased to the maximum after 96 h of incubation. Raman analysis confirmed that carotenoids (primarily β‐carotene) were the major identifiable chemical substances on the cell surface. Moreover, the increased carotenoid production was accompanied by a rising budding rate, ~40% higher than that in the cultures without Pb. During the 96 h of incubation, the driving force for Pb accumulation was assigned to this elevated budding rate. After 96 h, biosorption was primarily attributed to the enhanced antioxidant ability of the single cells during carotenoid production. Furthermore, the yeast budding cells demonstrated an evidently heterogeneous biosorption of Pb, i.e., the rejuvenated daughters had a relatively lower Pb level than the mother cells. This resulted in the protection of the buds from Pb stress. After investigating phosphorus uptake and the RNA sequencing data, we finally confirmed two tightly correlated pathways that resist HM stress, i.e., biochemical (carotenoid production) and reproductive (healthy buds) pathways. [ABSTRACT FROM AUTHOR]

Background: Hypercholesterolemia is one of the risk factors for colorectal cancer (CRC). Cholesterol can participate in the regulation of human T cell function and affect the occurrence and development of CRC. Objective: To elucidate the pathogenesis of CRC immune escape mediated by CD8+ T cell exhaustion induced by cholesterol. Methods: CRC samples (n = 217) and healthy individuals (n = 98) were recruited to analyze the relationship between peripheral blood cholesterol levels and the clinical features of CRC. An animal model of CRC with hypercholesterolemia was established. Intraperitoneal intervention with endoplasmic reticulum stress (ERS) inhibitors in hypercholesterolemic CRC mice was performed. CD69, PD1, TIM-3, and CTLA-4 on CD8+ T cells of spleens from C57BL/6 J mice were detected by flow cytometry. CD8+ T cells were cocultured with MC38 cells (mouse colon cancer cell line). The proliferation, apoptosis, migration and invasive ability of MC38 cells were detected by CCK-8 assay, Annexin-V APC/7-AAD double staining, scratch assay and transwell assay, respectively. Transmission electron microscopy was used to observe the ER structure of CD8+ T cells. Western blotting was used to detect the expression of ERS and mitophagy-related proteins. Mitochondrial function and energy metabolism were measured. Immunoprecipitation was used to detect the interaction of endoplasmic reticulum-mitochondria contact site (ERMC) proteins. Immunofluorescence colocalization was used to detect the expression and intracellular localization of ERMC-related molecules. Results: Peripheral blood cholesterol-related indices, including Tc, low density lipoproteins (LDL) and Apo(a), were all increased, and high density lipoprotein (HDL) was decreased in CRCs. The proliferation, migration and invasion abilities of MC38 cells were enhanced, and the proportion of tumor cell apoptosis was decreased in the high cholesterol group. The expression of IL-2 and TNF-α was decreased, while IFN-γ was increased in the high cholesterol group. It indicated high cholesterol could induce exhaustion of CD8+ T cells, leading to CRC immune escape. Hypercholesterolemia damaged the ER structure of CD8+ T cells and increased the expression of ER stress molecules (CHOP and GRP78), lead to CD8+ T cell exhaustion. The expression of mitophagy-related proteins (BNIP3, PINK and Parkin) in exhausted CD8+ T cells increased at high cholesterol levels, causing mitochondrial energy disturbance. High cholesterol enhanced the colocalization of Fis1/Bap31, MFN2/cox4/HSP90B1, VAPB/PTPIP51, VDAC1/IPR3/GRP75 in ERMCs, indicated that high cholesterol promoted the intermolecular interaction between ER and mitochondrial membranes in CD8+ T cells. Conclusion: High cholesterol regulated the ERS-ERMC-mitophagy axis to induce the exhaustion of CD8+ T cells in CRC. [ABSTRACT FROM AUTHOR]

Objective • Acute myocardial infarction (AMI) is characterized by heart damage resulting from blocked blood flow. Prompt diagnosis is vital for timely treatment and saving lives. This study aimed to evaluate the diagnostic value of cTnl, NT-pro BNP, and a combined test in AMI patients. Methods • In this study, a retrospective observational design was employed, and we selected 221 patients with AMI admitted to our hospital within a 3-year period as the research subjects and included them in the AMI group. Additionally, 200 patients from the control group, who visited our hospital for physical examinations, were selected to compare the expressions of cardiac Troponin I (cTnl) and N-Terminal pro-B-type Natriuretic Peptide (NT-pro BNP) between the two groups. Receiver Operating Characteristic (ROC) curves were constructed to analyze the diagnostic value of cTnl combined with NT-pro BNP for AMI. Furthermore, AMI patients were categorized into four groups based on the New York Heart Association (NYHA) classification (grades I, II, III, and IV). The differences in cTnl, NT-pro BNP, and Left Ventricular Ejection Fraction (LVEF) were compared among the AMI patients with different cardiac function grades to analyze their correlation and diagnostic value in assessing the severity of AMI-related cardiac insufficiency. Results • The levels of cTnl and NT-pro BNP in AMI patients were significantly higher than those in the control group, and their combined detection effectively facilitated the diagnosis of AMI occurrence. Moreover, cTnl and NT-pro BNP concentrations increased with the severity of cardiac dysfunction (NYHA grades) and showed a notable negative correlation with LVEF. Furthermore, the combined testing of cTnl and NT-pro BNP demonstrated significant value in evaluating the severity of AMI in patients. Conclusions • The combined detection of cTnl and NT-pro BNP holds considerable application value in diagnosing AMI occurrence and assessing its severity. [ABSTRACT FROM AUTHOR]

• Both static and dynamic characteristics of city are captured through the two-tier integration approach of BIM-GIS-IoT. • The concepts in the underlying data models of BIM, GIS and IoT are extracted and merged by ontology technology. • Brick and SSN ontologies are introduced to represent the underlying logics of IoT. • An integrated City Information Model ontology-OntoCIM proposed in this paper will play a fundamental role in digital twin city. With the development of digital city and smart city construction, the City Information Model (CIM) has played a critical role as a container of spatial–temporal data to establish the Digital Twin City. For a digital twin city, a virtual high-fidelity CIM model that corresponds closely to the real physical world is the premise and cornerstone of its construction. Therefore, the integration of BIM, GIS and IoT has become the preferred topic for researchers and has received much more attention from a wide academic circle. However, traditional integration mainly focuses on the conversion of both IFC and CityGML, and IoT data are also often used as visualizations. More importantly, the underlying data formats of GIS, BIM and IoT are still independent of each other without a unified data structure expression, so real data-driven analysis and decision-making cannot be implemented. This study aims to establish a general CIM ontology to integrate heterogeneous BIM, GIS and IoT data. First, the related work of BIM, GIS and IoT integration is studied and analyzed. A comparison of three mainstream approaches, data conversion, standard extension and data linking, is conducted, and it illustrates the advantages of ontology techniques in solving data interoperability problems. Second, a technical framework of BIM, GIS and IoT data integration based on ontology technology is proposed. The approach is mainly divided into five steps: geometry processing, data instantiation, ontology construction, ontology mapping and querying application. On the basis of the CIM ontology, an application ontology is built for a specific application domain to illustrate rule-based mapping, querying and inferring. Finally, the case study shows that the Ontology-based methodology in this paper has contributed to establish a general pattern for CIM data integration by mapping and linking concepts from the semantic level. It avoids changes in the original data sources and the missing data problem. [ABSTRACT FROM AUTHOR]

• A set of theoretical framework of building seismic performance evaluation has been formed, and the automatic evaluation of actual seismic performance of buildings has been realized. • This framework meets the evaluation requirements of various performance indicators in the existing FEMA P-58, and can make rapid and accurate predictions, which greatly improves the evaluation efficiency and quality, and provides fundamental support for the rapid assessment and prediction of regional and city-level building groups. • A set of discrete size variable multi-objective optimization model is proposed. The multi-objective optimization model proposed in this paper establishes a one-to-one correspondence between the design scheme and the two major costs from the perspective of structural size variables, which realizes the micro-level optimization design and improves the optimization level. Seismic loss prediction and performance assessment for buildings have already been hot spots for resilience after earthquakes with the emergence of the concepts of digital twins. However, because a large amount of multisource heterogeneous data and a real-time accurate prediction model are required to implement the process, the popularization and implementation of these technologies are hampered. Based on performance-based seismic design (PBSD) theory, this study introduces BIM and ontology and other emerging technologies to carry out methodology research on intelligent earthquake damage prediction and seismic performance evaluation for individual buildings. First, based on FEMA P-58 (Seismic Performance Assessment of Buildings), this paper uses BIM technology to integrate and transmit component-level engineering information. Ontology method is used to express the assessment content and logic, and a multidimensional semantic ontology model based on IFC is proposed to form the linked data foundation to organize, store, associate and interact the multisource heterogeneous data required for assessment in a unified way to realize the semi-automated seismic performance assessment for individual RC frame building. On this basis, the seismic optimization design under the guidance of the "investment - benefit" criterion is regarded as the problem of seeking the balance between the initial construction cost and the expectation of seismic loss. The multi-objective genetic algorithm (NSGA-II) is used to realize the optimization iteration at the component level. According to the results of the case study, the new method in this paper significantly improves the quality of seismic performance assessment and seismic design optimization. [ABSTRACT FROM AUTHOR]

H3N2 influenza viruses not only cause seasonal epidemics in humans but also circulate widely in animals, posing a threat to both animal and human health. Our previous studies indicate that H3N2 avian influenza viruses (AIVs) are readily detected in live poultry markets (LPMs); however, the evolution and biological characteristics of the H3N2 viruses in poultry farms in China are unclear. In this study, we performed active surveillance and collected 49,135 samples from poultry farms. In total, 21 H3N2 AIVs were isolated and their genetics, receptor-binding properties, and replication in mice were evaluated. Phylogenetic analysis indicated that H3N2 AIVs harbor complicated gene constellations and have undergone extensive reassortment; the viruses derived their genes from 12 different hemagglutinin subtypes of duck viruses, including H1, H2, H4, H5, H6, H7, H8, H9, H10, H11, H12, and H14. The complicated gene constellations indicated that H3N2 viruses may have been introduced into poultry farms from different sources, but none have become dominant in poultry farms. Although the H3N2 AIVs possessed avian-type receptorbinding preference, most of the isolates could replicate without preadaptation and some of H3N2 viruses caused weight loss in mice. Notably, two H3N2 viruses acquired the PB2 627K mutation after a single round of replication in mice, suggesting similar mutations could occur if they replicated in humans. Overall, our study demonstrates that the H3N2 AIVs pose a potential threat to the public health and emphasizes the need for continued surveillance of H3N2 viruses in the both LPMs and poultry farms. [ABSTRACT FROM AUTHOR]

High‐quality friction and wear resistances are very important for epoxy resin (EP) when serving as construction and coating materials. Herein, in this study, a series of nickel phyllosilicate (NiPS) nanoflowers filled EP were fabricated, and then their mechanical responses, hydrophilicity and tribological properties under wet sliding were examined thoroughly. Results showed that the compressive strength of as‐prepared nanocomposites increased first and then decreased, achieving a maximum value of 280.05 MPa at 5% filler, while the elastic modulus, hardness and hydrophilicity were all improved monotonously with elevated filler content. The presence of NiPS nanoflowers enhanced the wet‐lubricated tribological properties considerably. Both the average friction coefficient and wear rate presented similar anti‐parabolic change trends with the lowest values of 0.166 and 0.82 × 10−6 mm3/Nm obtained at 5% and 3%, which were 25.6% and 20.9% lower than pure EP, respectively. Further investigations confirmed that a relatively high applied load and sliding speed also promoted improved water‐lubricated tribological properties, suggesting a giant potential for the resulting EP nanocomposites to work safely as instrumental components under harsh conditions. [ABSTRACT FROM AUTHOR]

Objectives: The impact of ineffective esophageal motility (IEM) on gastroesophageal reflux disease (GERD) remains unknown, and abnormal esophageal motility often coexists with abnormal gastric motility. We aimed to investigate the role of IEM in GERD and its relationship with gastric electrical activity. Methods: Patients diagnosed as GERD based on GERD‐questionnaire score ≥8 in our hospital from January 2020 to June 2022 were included. All patients underwent 24‐h multichannel intraluminal impedance‐pH monitoring, high‐resolution manometry, and electrogastrogram and were categorized into the normal esophageal motility (NEM) and IEM groups, respectively. Reflux characteristics and gastric electric activity were compared between the two groups, and the correlation between gastric electric activity and reflux was analyzed. Results: Acid exposure time, total reflux episodes, and DeMeester score in the IEM group were higher than those in the NEM group. Distal mean nocturnal baseline impedance was significantly lower in the IEM group. Compared with the NEM group, the power ratio (PR) of fundus, antrum and pylorus and premeal and postmeal normal wave ratio of antrum were significantly lower in IEM. The total reflux episodes were negatively correlated with the PR of fundus and pylorus, and the DeMeester score was negatively correlated with the PR of corpus and pylorus. Conclusions: IEM may lead to increased reflux, resulting in esophageal mucosal damage. There may be consistency between abnormal esophageal motility and gastric motility. [ABSTRACT FROM AUTHOR]

Background: The mortality of colorectal cancer is high, the malignant degree of poorly differentiated colorectal cancer is high, and the prognosis is poor. Objective: To screen the characteristic intestinal microbiota of poorly differentiated intestinal cancer. Methods: Fecal samples were collected from 124 patients with moderately differentiated CRC and 123 patients with poorly differentiated CRC, and the bacterial 16S rRNA V1-V4 region of the fecal samples was sequenced. Alpha diversity analysis was performed on fecal samples to assess the diversity and abundance of flora. The RDP classifier Bayesian algorithm was used to analyze the community structure. Linear discriminant analysis and Student's t test were used to screen the differences in flora. The PICRUSt1 method was used to predict the bacterial function, and six machine learning models, including logistic regression, random forest, neural network, support vector machine, CatBoost and gradient boosting decision tree, were used to construct a prediction model for the poor differentiation of colorectal cancer. Results: There was no significant difference in fecal flora alpha diversity between moderately and poorly differentiated colorectal cancer (P > 0.05). The bacteria that accounted for a large proportion of patients with poorly differentiated and moderately differentiated colorectal cancer were Blautia, Escherichia-Shigella, Streptococcus, Lactobacillus, and Bacteroides. At the genus level, there were nine bacteria with high abundance in the poorly differentiated group, including Bifidobacterium, norank_f__Oscillospiraceae, Eisenbergiella, etc. There were six bacteria with high abundance in the moderately differentiated group, including Megamonas, Erysipelotrichaceae_UCG-003, Actinomyces, etc. The RF model had the highest prediction accuracy (100.00% correct). The bacteria that had the greatest variable importance in the model were Pseudoramibacter, Megamonas and Bifidobacterium. Conclusion: The degree of pathological differentiation of colorectal cancer was related to gut flora, and poorly differentiated colorectal cancer had some different bacterial flora, and intestinal bacteria can be used as biomarkers for predicting poorly differentiated CRC. [ABSTRACT FROM AUTHOR]

The article discusses the research on the inhibition of Na+- and K+-dependent adenosine triphosphatase (Na/K-ATPase) amplification of oxidative species amplification and attenuates adipogenesis which helps in combatting obesity, insulin resistance, and metabolic syndrome. It presents that the study characterizes the therapeutic potential for conditions associated with obesity and metabolic imbalance.

Constructing redox semiconductor heterojunction photocatalysts is the most effective and important means to complete the artificial photosynthetic overall reaction (i.e., coupling CO2 photoreduction and water photo-oxidation reactions). However, multiphase hybridization essence and inhomogeneous junction distribution in these catalysts extremely limit the diverse design and regulation of the modes of photogenerated charge separation and transfer pathways, which are crucial factors to improve photocatalytic performance. Here, we develop molecular oxidation–reduction (OR) junctions assembled with oxidative cluster (PMo12, for water oxidation) and reductive cluster (Ni5, for CO2 reduction) in a direct (d-OR), alternant (α-OR), or symmetric (s-OR) manner, respectively, for artificial photosynthesis. Significantly, the transfer direction and path of photogenerated charges between traditional junctions are obviously reformed and enriched in these well-defined crystalline catalysts with monophase periodic distribution and thus improve the separation efficiency of the electrons and holes. In particular, the charge migration in s-OR shows a periodically and continuously opposite mode. It can inhibit the photogenerated charge recombination more effectively and enhance the photocatalytic performance largely when compared with the traditional heterojunction models. Structural analysis and density functional theory calculations disclose that, through adjusting the spatial arrangement of oxidation and reduction clusters, the energy level and population of the orbitals of these OR junctions can be regulated synchronously to further optimize photocatalytic performance. The establishment of molecular OR junctions is a pioneering important discovery for extremely improving the utilization efficiency of photogenerated charges in the artificial photosynthesis overall reaction. [ABSTRACT FROM AUTHOR]

Nitrogen (N2) gas in the atmosphere is partially replenished by microbial denitrification of ammonia. Recent study has shown that Alcaligenes ammonioxydans oxidizes ammonia to dinitrogen via a process featuring the intermediate hydroxylamine, termed "Dirammox" (direct ammonia oxidation). However, the unique biochemistry of this process remains unknown. Here, we report an enzyme involved in Dirammox that catalyzes the conversion of hydroxylamine to N2. We tested previously annotated proteins involved in redox reactions, DnfA, DnfB, and DnfC, to determine their ability to catalyze the oxidation of ammonia or hydroxylamine. Our results showed that none of these proteins bound to ammonia or catalyzed its oxidation; however, we did find DnfA bound to hydroxylamine. Further experiments demonstrated that, in the presence of NADH and FAD, DnfA catalyzed the conversion of 15N-labeled hydroxylamine to 15N2. This conversion did not happen under oxygen (O2)-free conditions. Thus, we concluded that DnfA encodes a hydroxylamine oxidase. We demonstrate that DnfA is not homologous to any known hydroxylamine oxidoreductases and contains a diiron center, which was shown to be involved in catalysis via electron paramagnetic resonance experiments. Furthermore, enzyme kinetics of DnfA were assayed, revealing a Km of 92.9 ± 3.0 μM for hydroxylamine and a kcat of 0.028 ± 0.001 s-1. Finally, we show that DnfA was localized in the cytoplasm and periplasm as well as in tubular membrane invaginations in HO-1 cells. To the best of our knowledge, we conclude that DnfA is the first enzyme discovered that catalyzes oxidation of hydroxylamine to N2. [ABSTRACT FROM AUTHOR]

To verify the reliability and validity of a vaccine hesitancy scale about knowledge, attitude, trust and vaccination environment (KATE-S) among the Chinese parents. A questionnaire survey was conducted by convenience sampling in China using the KATE-S to assess knowledge of vaccines, attitudes towards vaccines, trust in acquired information and vaccination environment and vaccination status of vaccine introduced in immunization program among children. A total of 199 valid questionnaires were collected from the parents. Among those, 83 (41.7%) parents accepted all vaccines without hesitancy, 111 (55.8%) parents accepted all but had hesitancy intention, and 5 (2.5%) had hesitancy behaviour of refusing or delaying vaccination. The overall test–retest reliability, split-half reliability and Cronbach's coefficient values were 0.924, 0.885 and 0.823, respectively. The scale-level content validity index (S-CVI) of universal agreement was 0.867, and the average S-CVI was 0.978. Exploratory factor analysis extracted seven common factors from the scale, and the cumulative contribution rate was 56.8%. The correlation coefficients between the items and their dimensions ranged from 0.405 to 0.760, with a calibration success rate of 100% for convergent and discriminant validity. After adjusting for the basic characteristics, the knowledge level of hesitancy intention group and hesitancy behavior group were both lower than accept all group (OR = 0.78, 95% CI: 0.65–0.94; OR = 0.26, 95 %CI: 0.07–0.94). The KATE-S has good reliability and validity in Chinese parents and would be considered to expand the sample size and survey areas to obtain more representative results. [ABSTRACT FROM AUTHOR]

If perovskite solar cells (PSCs) with high power conversion efficiencies (PCEs) are to be commercialized, they must achieve long-term stability, which is usually assessed with accelerated degradation tests. One of the persistent obstacles for PSCs has been successfully passing the damp-heat test (85°C and 85% relative humidity), which is the standard for verifying the stability of commercial photovoltaic (PV) modules. We fabricated damp heat-stable PSCs by tailoring the dimensional fragments of two-dimensional perovskite layers formed at room temperature with oleylammonium iodide molecules; these layers passivate the perovskite surface at the electron-selective contact. The resulting inverted PSCs deliver a 24.3% PCE and retain >95% of their initial value after >1000 hours at damp-heat test conditions, thereby meeting one of the critical industrial stability standards for PV modules. [ABSTRACT FROM AUTHOR]

Objective: In this study we aimed to predict the risk factors related to histopathologic upgrade after endoscopic submucosal dissection (ESD) in patients with pre‐ESD esophageal squamous low‐grade intraepithelial neoplasm (LGIN). Methods: A training cohort of 201 patients with biopsy‐confirmed esophageal squamous LGIN and underwent ESD at a tertiary medical center between January 2017 and July 2019 were included. Risk factors for histological upgrade were identified using the least absolute shrinkage and selection operator (LASSO) regression. A nomogram was then established. Internal validation was evaluated by discrimination, calibration plot, and decision‐curve analysis. Another cohort of 48 patients were prospectively collected from July 2019 to June 2021 for external validation of the nomogram. Results: The rate of histological upgrade was 34.8% (70/201) and 27.1% (13/48) in the training and validation sets, respectively. LASSO regression identified that tumor area (mm2) per biopsy, Lugol's staining pattern, background coloration, and the circumferential range of the lesion were significantly associated with histological upgrade. The final nomogram attained favorable prediction efficacy in the training cohort (area under the receiver operating curve [AUROC] 0.96, 95% confidence interval [CI] 0.94–0.98) and validation cohort (AUROC 0.92, 95% CI 0.79 –0.99). This model generated well‐fitted calibration and clinical‐decision curves in both cohorts. Conclusions: The nomogram may better guide clinical decision on whether performing EDS or follow‐up for suspicious lesions in patients with biopsy‐confirmed esophageal squamous LGIN. [ABSTRACT FROM AUTHOR]

Ammonia oxidation is an important process in both the natural nitrogen cycle and nitrogen removal from engineered ecosystems. Recently, a new ammonia oxidation pathway termed Dirammox (direct ammonia oxidation, NH3→NH2OH→N2) has been identified in Alcaligenes ammonioxydans. However, whether Dirammox is present in other microbes, as well as its genetic regulation, remains unknown. In this study, it was found that the metabolically versatile bacterium Alcaligenes faecalis strain JQ135 could efficiently convert ammonia into N2 via NH2OH under aerobic conditions. Genetic deletion and complementation results suggest that dnfABC is responsible for the ammonia oxidation to N2 in this strain. Strain JQ135 also employs aerobic denitrification, mainly producing N2O and trace amounts of N2, with nitrite as the sole nitrogen source. Deletion of the nirK and nosZ genes, which are essential for denitrification, did not impair the capability of JQ135 to oxidize ammonia to N2 (i.e., Dirammox is independent of denitrification). Furthermore, it was also demonstrated that pod (which encodes pyruvic oxime dioxygenase) was not involved in Dirammox and that AFA_16745 (which was previously annotated as ammonia monooxygenase and is widespread in heterotrophic bacteria) was not an ammonia monooxygenase. The MocR-family transcriptional regulator DnfR was characterized as an activator of the dnfABC operon with the binding motif 5′-TGGTCTGT-3′ in the promoter region. A bioinformatic survey showed that homologs of dnf genes are widely distributed in heterotrophic bacteria. In conclusion, this work demonstrates that, besides A. ammonioxydans, Dirammox occurs in other bacteria and is regulated by the MocR-family transcriptional regulator DnfR. [ABSTRACT FROM AUTHOR]

Biological foaming (or biofoaming) is a frequently occurring problem in wastewater treatment plants (WWTPs) and is attributed to the overwhelming growth of filamentous bulking and foaming bacteria (BFB). Biological foaming has been intensively investigated, with BFB like Microthrix and Skermania having been identified from WWTPs and implicated in foaming. Nevertheless, studies are still needed to improve our understanding of the microbial diversity of WWTP biofoams and how microbial activities contribute to foaming. In this study, sludge foaming at the Qinghe WWTP of China was monitored, and sludge foams were investigated using culture-dependent and culture-independent microbiological methods. The foam microbiomes exhibited high abundances of Skermania, Mycobacterium, Flavobacteriales, and Kaistella. A previously unknown bacterium, Candidatus Kaistella beijingensis, was cultivated from foams, its genome was sequenced, and it was phenotypically characterized. Ca. K. beijingensis exhibits hydrophobic cell surfaces, produces extracellular polymeric substances (EPS), and metabolizes lipids. Ca. K. beijingensis abundances were proportional to EPS levels in foams. Several proteins encoded by the Ca. K. beijingensis genome were identified from EPS that was extracted from sludge foams. Ca. K. beijingensis populations accounted for 4 to 6% of the total bacterial populations in sludge foam samples within the Qinghe WWTP, although their abundances were higher in spring than in other seasons. Cooccurrence analysis indicated that Ca. K. beijingensis was not a core node among the WWTP community network, but its abundances were negatively correlated with those of the well-studied BFB Skermania piniformis among cross-season Qinghe WWTP communities. [ABSTRACT FROM AUTHOR]

Cisplatin (DDP) is a first-line chemotherapeutic drug applied for the treatment of oral squamous cell carcinoma (OSCC). The anticancer activity of DDP is tightly linked to its intracellular uptake. It is unwise to increase the DDP intake by increasing the dose or shortening the dosing interval because of the severe systemic toxicity (nephrotoxicity, ototoxicity and neurotoxicity) in DDP application. The main uptake pathways of DDP include passive diffusion and active transporter transport. Therefore, finding additional uptake pathways that can improve the effective intracellular concentration of DDP is critical. Macropinocytosis, an endocytic mechanism for extracellular material absorption, contributes to the intracellular uptake of anticancer drugs. No research has been conducted to determine whether macropinocytosis can augment the intracellular uptake of DDP in OSCC cells or not. Based on that, we proved for the first time that silmitasertib (previously CX-4945) could trigger macropinocytosis, which may increase the intracellular uptake of DDP and enhance apoptosis via in vivo and in vitro experiments. We hope that our findings will inspire a new approach for the application of DDP in cancer treatment. [ABSTRACT FROM AUTHOR]

Design technology co-optimization (DTCO) has been a workhorse in optimizing logic technology innovations for a few generations now. With increased complexity associated with each new node and the growing number of technological innovations, it is time to expand the conventional DTCO flows. In this article, we present a novel materials to systems co-optimization (MSCO) platform, expanding the boundaries of traditional DTCO to encompass materials modeling to all the way to system design. To demonstrate the application of our MSCO platform, we discuss various front-end-of-line (FEOL) and middle-of-line (MOL)/back-end-of-line (BEOL) technologies and show their impact on device and circuit performance. [ABSTRACT FROM AUTHOR]

Objectives: Esophagogastric junction contractile integral (EGJ‐CI) is a novel indicator to evaluate quantitatively the esophagogastric junction (EGJ) barrier function. We aimed to assess the role of EGJ‐CI in patients with refractory gastroesophageal reflux disease (GERD) symptoms and the correlation between EGJ‐CI and impedance‐pH monitoring characteristics. Methods: In total 82 patients with proton pump inhibitors (PPIs)‐refractory gastroesophageal reflux symptoms (heartburn or regurgitation) were enrolled. These patients were further divided into two groups based on their EGJ‐CI value (39 mmHg·cm). The mean nocturnal baseline impedance (MNBI) was measured to explore its association with EGJ‐CI. Results: The median EGJ‐CI in patients with PPI‐refractory symptoms was 30.8 mmHg·cm. EGJ‐CI was inversely correlated with acid exposure time and reflux episodes; while it was positively correlated with MNBI, distal contractile integral, lower esophageal sphincter basal pressure and integrated relaxation pressure. Patients were further divided into the high (n = 27) and low (n = 55) EGJ‐CI groups using a cut‐off value of 39.0 mmHg·cm. Patients with a low EGJ‐CI had a lower MNBI level than those with a high EGJ‐CI (2703 Ω vs 3545 Ω, P = 0.034). Conclusions: In patients with PPIs‐refractory symptoms, EGJ‐CI is associated with acid exposure and conventional high‐resolution manometry parameters. EGJ‐CI may play an important role in the diagnosis and treatment of patients with refractory GERD. [ABSTRACT FROM AUTHOR]

To determine the safety of hydromorphone hydrochloride solution for long term use in patient controlled analgesia by comparing the microbial contamination of preparations made under hospital ward dispensing room and pharmacy intravenous admixture service operating environment. Hydromorphone hydrochloride solutions were prepared in the patient controlled analgesia pump using 0.9 % sodium chloride under ward dispensing room or pharmacy intravenous admixture service operating environments. The solutions were stored at 25° and 37° and inspected for clarity and tested for bacterial endotoxin contamination for 15 d. The hydromorphone hydrochloride solution prepared under the ward dispensing room remained clear and endotoxin levels were below detection limits for 9 d. On d 11, this solution appeared turbid with slightly increased bacterial endotoxin levels. No remarkable observations were noted in the solution prepared under the pharmacy intravenous admixture service environment for the duration of the experiment. Hydromorphone hydrochloride solution prepared under the ward dispensing room conditions remained safe for use for only 9 d after preparation. On the other hand, the solution prepared under pharmacy intravenous admixture service remained suitable for use for longer as no contamination was observed for the duration of the study. [ABSTRACT FROM AUTHOR]

Objective: To investigate the relationship between the number of hyperintense foci of T2‐weighted imaging (T2WI) and the efficacy of high‐intensity focused ultrasound (HIFU) in the treatment of adenomyosis. Methods: This prospective cohort study enrolled 102 patients with adenomyosis. Participants were classified into two groups: 50 patients in whom the number of hyperintense foci on magnetic resonance imaging (MRI) T2WI was more than five were placed in the >5 group and 52 patients in whom the number of hyperintense foci on MRI T2WI was five or fewer were placed in the ≤5 group. Uterine fibroid symptoms (UFS) and visual analog scale (VAS) scores were recorded as indicators for the course of adenomyosis treatment. Results: Among the enrolled patients, 84 received HIFU treatment and were followed up. At 6, 12, 24, and 36 months after HIFU treatment, the UFS score of women in the >5 group was higher than that of the patients in the ≤5 group (P < 0.05). The ablation rate of MRI T2WI in the hyperintense foci ≤5 group was higher than the hyperintense foci >5 group (P < 0.05). Conclusion: Number of MRI T2WI hyperintense foci is a factor affecting the ablation rate and the clinical efficacy of HIFU treatment in women with adenomyosis. It is likely to be a predictor of the efficacy of HIFU in adenomyosis treatment. Synopsis: Magnetic resonance imaging T2‐weighted hyperintense foci number is a factor related to the ablation rate and the clinical efficacy of high‐intensity focused ultrasound treatment in women with adenomyosis. [ABSTRACT FROM AUTHOR]

In order to improve the adaptive range of airflow velocity, an airflow piezoelectric generator based on multi-harmonic excitation is proposed. The flow field characteristics are obtained by CFD method, the acoustic vibration characteristics and variation with velocity of the excitation frequency are studied. The result shows that periodic compression and expansion of air are presented and a standing wave is formed inside the resonator, which can provide stable excitation source. The excitation frequencies are distributed on the acoustic modes of the resonator and captured. With different velocity segment, the excitation frequencies are different, and frequency conversion is presented from the first-order to the third-order and from the third-order to the first-order. The conclusions verify the feasibility of the multi-harmonic excitation energy exchange scheme, which is helpful to improve the flow velocity adaptive range of the airflow-induced vibration piezoelectric generator. [ABSTRACT FROM AUTHOR]