Efficient removal of Cr (VI) by Bifunction zinc porphyrin COF: Coupling adsorption with Photocatalysis, performance Evaluation, and mechanism analysis.

HYPOTHESIS: Hexavalent chromium, recognized as one of the most toxic heavy metals, demands the development of advanced materials capable of both adsorption and photocatalysis for effective Cr (VI) removal. EXPERIMENTS: This study successfully synthesized a two-dimensional zinc porphyrin covalent organic framework (ZnPor-COF) via a solvent-based method. Performance evaluations have demonstrated that the ZnPor-COF possesses outstanding capabilities for the adsorptive and/or photocatalytic elimination of Cr (VI). Particularly noteworthy is the observation that when adsorption and photocatalysis are coupled, the ZnPor-COF attains an exceptional 99.7 % removal rate for a Cr (VI) concentration of 30 mg/L within just 60 min, with minimal susceptibility to coexisting ions. After five consecutive cycles, the material sustains a removal efficiency of 90 %, indicative of its robust cyclability. FINDINGS: Theoretical calculations, as well as experimental validations, have indicated that the integration of Zn ions into the porphyrin COF not only results in an expanded specific surface area and an increased count of adsorption sites but also significantly improves the COF's photosensitivity and the capability for charge carrier separation. Furthermore, the core of the synergistic effect between adsorption and photocatalysis lies in the ability of photocatalysis to substantially augment the adsorption process.

Early-stage postoperative depression and anxiety following orthognathic surgery: a cross-sectional study.

BACKGROUND: The objective of this study was to observe the incidence and potential risk factors of postoperative depression and anxiety in patients during the early period after undergoing orthognathic surgery. METHODS: From March 7 to September 7, 2023, patients ≥ 18 years of age who were scheduled for elective orthognathic surgery under general anesthesia in Peking University School and Hospital of Stomatology were included in this study. We prospectively evaluated their degrees of pre- and postoperative depression and anxiety using the Patient Health Questionnaire-9 and the State Trait Anxiety Inventory. Associations between the perioperative factors and occurrences of postoperative anxiety and depression were evaluated using a multivariate logistic regression model. RESULTS: A total of 371 patients were included in the analysis. Within five days after surgery, we observed the occurrence of depression in 32% (116) of the patients and anxiety in 72.8% (270) of them. Their preoperative depression score on the Pain Catastrophizing Scale and intraoperative urine output were significantly associated with a higher risk of postoperative depression. The presence of preoperative anxiety, postoperative moderate-to-severe pain, postoperative nausea and vomiting and postoperative insomnia were significantly associated with a higher risk of postoperative anxiety. Furthermore, a monthly income ≥ ¥10000 was found to be significantly associated with a lower risk of postoperative anxiety. CONCLUSIONS: Postoperative depression and anxiety are common among patients who undergo orthognathic surgery. Moreover, preoperative psychological status and incidence of postoperative adverse events were associated with an increased risk of depression and anxiety after surgery. The results of the present study suggest that careful psychological assessment and appropriate management are necessary to improve patients' recovery following orthognathic surgery.

Exploring the dynamics of Women's field hockey performance: A comparative analysis of the impact of opponent quality between Olympic Games and Chinese National Games.

This is an observational retrospective study analyzed the performance of the Chinese women's national field hockey team during the 2020 Tokyo Olympics and 2021 National Games to assess the impact of opposition quality on performance. Game statistics were collected using notational analysis software for 76 Olympic and 40 National Games matches. Non-parametric Mann-Whitney U tests were used to compare tournaments. No significant differences existed for 35 out of 38 metrics, except Offense in 25-Yd Area (P = 0.013), Handball Style (P = 0.000) and Entry into Arc - Right Lane (P = 0.017). When exclusively considering Chinese national team's observations, superior National Games performance did emerge for Shot (P = 0.046), Goal from Short Corner (P = 0.044), Into the Arc (P = 0.046), Entry into Arc - Q3 (P = 0.009), Dribble into the Arc (P = 0.046), Handball Style into Arc (P = 0.041), Forehand Shot (P = 0.033), and Small Skill Shot (P = 0.014). The study underscores the influence of opposition quality on team performance, with a need for targeted improvements in arc penetration efficacy, conversion rates of shots to goals, and adaptation of tactical approaches against stronger defenses. The research points towards the need for strategic high-performance programs, improved domestic league quality, and a structured youth development system to elevate the overall standard of Chinese field hockey to achieve global competitiveness.

Fibrillar adhesives with unprecedented adhesion strength, switchability and scalability.

Bio-inspired fibrillar adhesives have received worldwide attention but their potentials have been limited by a trade-off between adhesion strength and adhesion switchability, and a size scale effect that restricts the fibrils to micro/nanoscales. Here, we report a class of adhesive fibrils that achieve unprecedented adhesion strength (∼2 MPa), switchability (∼2000), and scalability (up to millimeter-scale at the single fibril level), by leveraging the rubber-to-glass (R2G) transition in shape memory polymers (SMPs). Moreover, R2G SMP fibrillar adhesive arrays exhibit a switchability of >1000 (with the aid of controlled buckling) and an adhesion efficiency of 57.8%, with apparent contact area scalable to 1000 mm2, outperforming existing fibrillar adhesives. We further demonstrate that the SMP fibrillar adhesives can be used as soft grippers and reusable superglue devices that are capable of holding and releasing heavy objects >2000 times of their own weight. These findings represent significant advances in smart fibrillar adhesives for numerous applications, especially those involving high-payload scenarios.

Chitinase-3 like-protein-1, a prognostic biomarker in patients with hepatocellular carcinoma and concomitant myosteatosis.

BACKGROUND: Chitinase-3 like-protein-1 (CHI3L1) is a member of the mammalian chitinase-like proteins and elevated serum CHI3L1 level has been proved to be associated with poor prognosis in hepatocellular carcinoma (HCC). This study aimed to investigate the relationship between serum CHI3L1 levels and body composition parameters in patients with HCC after liver transplantation (LT). METHODS: This retrospective study enrolled 200 patients after LT for HCC. Blood samples were collected and serum concentrations of CHI3L1 were measured by enzyme-linked immunosorbent assay. Computer tomography (CT) were used to estimate skeletal muscle and adipose tissue mass. Spearman's rank correlation test was performed to assess associations between serum CHI3L1 levels and these body composition parameters. A Cox proportional-hazards regression model was performed to identify independent prognostic factors. Overall survival (OS) and recurrence-free survival (RFS) curves were constructed using the Kaplan-Meier method and compared by the log-rank test. RESULTS: Total 71 patients (35.5%) were diagnosed with myosteatosis according to skeletal muscle radiation attenuation (SMRA). The 5-year OS rates were 66.9% in non-myosteatosis group, significantly higher than 49.5% in myosteatosis group (p = 0.025), while the RFS of myosteatosis group (5-year RFS: 52.6%) or non-myosteatosis group (5-year RFS: 42.0%) shown no significant difference (p = 0.068). The serum CHI3L1 level were significantly negative correlated with SMRA (r = -0.3, p < 0.001). Interestingly, in patients with myosteatosis, Kaplan-Meier analysis revealed that elevated serum CHI3L1 levels were associated with worse OS (p < 0.001) and RFS (p = 0.047). However, in patients without myosteatosis, Kaplan-Meier analysis found elevated serum CHI3L1 levels were not associated with OS (p = 0.070) or RFS (p = 0.104). CONCLUSIONS: Elevated CHI3L1 was negatively correlated with SMRA, and predicted poorer prognosis in Chinese population after LT for HCC, especially in those patients with concomitant myosteatosis. Monitoring serum CHI3L1 can predict prognosis and effectively guide individual nutrition intervention.

Enhancing the Humidity Stability of Perovskite Films through Interfacial Modification with Differentiated Hydrophilic Organics.

Preparing high-quality perovskite films is a decisive step toward realizing highly efficient and stable perovskite solar cells (Pero-SCs). Water is a key factor affecting the stability of the Pero-SCs. Here, the widely used water adsorbents chitosan, sorbitol, and sodium hyaluronate (NaHA) were used as hydrophilic layers on the upper interface of the perovskite to form a barrier against water. The water adsorbents also passivated defects on the surface of the perovskite active layer due to their -OH and -COOH functional groups. The NaHA-modified devices showed the best power conversion efficiency (PCE) (PCE = 21.74%). Although the NaHA-modified Pero-SCs showed optimal photovoltaic performance, the stability of the modified devices decreased due to the strong water adsorption ability of NaHA, while with moderate water adsorption ability sorbitol-modified devices exhibited good stability and PCE. The devices were tested in the dark and room temperature at different humidity levels for 800 h. At low humidity (25% ± 5% RH), the PCEs of the sorbitol- and NaHA-modified devices were maintained at 80% and 71% of the initial values, respectively. At high humidity (75% ± 5% RH), the PCE was maintained at 64% and 23% of the initial values, respectively. This work provides an avenue to select adsorbents with suitable water absorption ability as the interface modification layer, thus reducing the water erosion of perovskite films and obtaining highly stable inverted Pero-SCs.

A model of the spatiotemporal distribution of ozone-squalene reaction and ozonolysis by-products from human body.

Emissions of ozone and its by-products from ozonolysis on human surfaces lead to indoor air pollution. However, the spatiotemporal distribution of such emissions in indoor environments remains unclear, which may introduce bias when assessing human exposure to ozone and ozonolysis byproducts. This study developed a computational fluid dynamics model to describe the physical and chemical processes involved in the emission of ozone-dependent volatile organic compounds from the human body. The results showed that the reaction probability of ozone in the human body depends on the ozone concentration in the bulk air. For ozone concentrations ranging from 28 ppb to 200 ppb, the reaction probabilities ranged from 5.9 × 10-5 to 1.5 × 10-4. The concentrations of ozone and ozonolysis byproducts obtained from the experimental measurements were used for model validation. The ozonolysis by-products were found to be uniformly distributed in the chamber, whereas the ozone distribution showed less uniformity. The ozone concentration near the human surface was approximately 30 %∼50 % of that in the ambient air. Overall, a model was developed to understand the effect of ozone-surface interactions on indoor air quality. This model can be applied to analyze human exposure to ozone and ozonolysis byproducts and for health risk assessment in built environments.

Ferulic acid-arabinoxylan conjugates: Synthesis, characterization and applications in antibacterial film formation.

A novel antibacterial film based on arabinoxylan (AX) was prepared by introducing ferulic acid (FA) to AX through a laccase-catalyzed procedure. The ferulic acid-arabinoxylan conjugates (FA-AX conjugates) have been characterized. Results showed that FA was successfully grafted onto the AX chains by covalent linkages, likely through nucleophilic addition between O-Ph in the phenolic hydroxyl group of FA, or through Michael addition via O-quinone intermediates. FA-AX conjugates showed improved crystallinity, thermal stability, and rheological properties, as well as a distinct surface morphology, compared with those of native AX. Moreover, FA-AX conjugates exhibited enhanced antibacterial ability against Staphylococcus aureus, Escherichia coli, Shewanella sp., and Pseudomonas sp. Mechanistic studies revealed that the enhanced antibacterial ability was due to the penetration of bacterial membrane by the phenolic molecule and the steric effect of FA-AX conjugates. The study demonstrates that the laccase-induced grafting method was effective in producing FA-AX conjugates; we have demonstrated its antibacterial ability and great potential in prolonging the shelf life of fresh seafood products.

Linkages between childhood emotional maltreatment and adulthood marital attitudes among rural first-generation college students in China: A latent profile analysis and multigroup comparisons.

BACKGROUND: Although there is a wealth of evidence indicating the enduring consequences of childhood emotional maltreatment (CEM) on social and relational functioning across life stages, little known about how CEM affects marital attitudes in emerging adulthood, particularly among rural first-generation college students (rural FGCS) at the critical stage of developing romantic relationships. OBJECTIVE: To explore whether differential patterns of CEM existed among rural FGCS in China during emerging adulthood. Furthermore, the study aims to examine the potential differences in the chain mediating role of CEM on the pathway to adulthood marital attitudes across different CEM profiles. PARTICIPANTS AND SETTING: Using a cluster sampling approach, a total of 3848 rural first-generation college freshmen (males = 39.2 %, mean age = 18.42 years) were recruited from three universities in China. METHODS: Latent profile analysis was utilized to identify potential patterns of CEM using Mplus version 7.4. Structural equation modeling and multigroup comparisons were then performed to investigate the association between CEM and attitudes towards marriage in emerging adulthood, utilizing AMOS 24.0. RESULTS: Three profiles of CEM was identified among rural FGCS: a low-CEM group (51.87 %), a moderate-CEM group (36.69 %), and a severe-CEM group (11.44 %). The association between CEM and adulthood marital attitudes was mediated by core self-evaluation and meaning in life. However, the mediation effects varied across the three CEM profiles. In the low-CEM group, core self-evaluation and meaning in life were observed to partially mediate the negative association between CEM and adulthood marital attitudes. On the other hand, in the moderate-CEM and severe-CEM groups, the relationship between CEM and adulthood marital attitudes was fully mediated by core self-evaluation. CONCLUSIONS: The study's findings suggest that CEM is a significant predictor of marital attitudes among rural FGCS during emerging adulthood, with the severity of emotional neglect and abuse being the primary distinguishing factor between different CEM profiles. Core self-evaluation plays an important role in this relationship. Future clinical interventions could benefit from focusing on enhancing core self-evaluation and meaning in life, particularly for those with CEM experiences.

Heat exposure impacts on urban health: A meta-analysis.

The escalating health risks posed by warm weather in urban areas have become a pressing global public health issue. This study undertakes a meta-analysis to evaluate the impact of warm weather on health in urban settings. We comprehensively searched PubMed, Embase, Scopus, and Web of Science for literature published before September 6, 2023, evaluating evidence quality using the Navigation Guide Criteria. We included original studies utilizing high temperatures or heatwaves as exposure metrics and employing observational designs. A meta-analysis was carried out to assess the relative risk (RR) of the association between high temperatures (or heatwaves) and disease outcomes. Out of 12,893 studies identified, 188 met the inclusion criteria for meta-analysis. Results demonstrate a statistically significant association between a 1 °C temperature increase and a 2.1 % elevation in disease-related mortality (RR 1.021 [95 % CI 1.018-1.023]), alongside a 1.1 % increase in morbidity (RR 1.011 [95 % CI 1.007-1.016]). Heatwaves also showed associations with increased total mortality (RR 1.224 [95 % CI 1.186-1.264]) and morbidity (RR 1.038 [95 % CI 1.010-1.066]). Subgroup analyses for diseases, sex, age, climatic zones, countries, and time periods consistently indicated heightened disease-related mortality and morbidity linked to high temperatures. Notably, China's urban population faced an elevated mortality risk (RR 1.027 [95 % CI 1.018-1.036]) compared to other countries (RR 1.021 [95 % CI 1.019-1.024]). Mortality associated with high temperatures after 2007 (RR 1.022 [95 % CI 1.015-1.029]) was higher than before 2007 (RR 1.017 [95 % CI 1.013-1.021]), reflecting increased health risks as the global warming accelerates. Our findings underscore the positive association between rising temperatures and/or heatwaves and adverse health outcomes in urban populations. The widespread exposure to high temperatures amplifies health risks across various diseases, demographics, climates, and countries, with potential exacerbation under ongoing global warming. Further research is imperative to delineate factors influencing altered heat exposure impacts.

Safety of propofol-assisted deep extubation in the dental treatment of children-a retrospective, observational study.

PURPOSE: Awake extubation and deep extubation are commonly used anesthesia techniques. In this study, the safety of propofol-assisted deep extubation in the dental treatment of children was assessed. MATERIALS AND METHODS: Children with severe caries who received dental treatment under general anesthesia and deep extubation between January 2017 and June 2023 were included in this study. Data were collected on the following variables: details and time of anesthesia, perioperative vital signs, and incidence of postoperative complications. The incidence of laryngeal spasm (LS) was considered to be the primary observation indicator. RESULTS: The perioperative data obtained from 195 children undergoing dental treatment was reviewed. The median age was 4.2 years (range: 2.3 to 9.6 years), and the average duration of anesthesia was 2.56 h (range 1 to 4.5 h). During intubation with a videoscope, purulent mucus was found in the pharyngeal cavity of seven children (3.6%); LS occurred in five of them (2.6%), and one child developed a fever (T = 37.8 °C) after discharge. Five children (2.6%) experienced emergence agitation (EA) in the recovery room. Also, 13 children (6.7%) experienced epistaxis; 10 had a mild experience and three had a moderate experience. No cases of airway obstruction (AO) and hypoxemia were recorded. The time to open eyes (TOE) was 16.3 ± 7.2 min. The incidence rate of complications was 23/195 (11.8%). Emergency tracheal reintubation was not required. Patients with mild upper respiratory tract infections showed a significantly higher incidence of complications (P < 0.001). CONCLUSIONS: Propofol-assisted deep extubation is a suitable technique that can be used for pediatric patients who exhibited non-cooperation in the outpatient setting. Epistaxis represents the most frequently encountered complication. Preoperative upper respiratory tract infection significantly increases the risk of complications. The occurrence of EA was notably lower than reported in other studies.

Scale-inspired programmable robotic structures with concurrent shape morphing and stiffness variation.

Biological organisms often have remarkable multifunctionality through intricate structures, such as concurrent shape morphing and stiffness variation in the octopus. Soft robots, which are inspired by natural creatures, usually require the integration of separate modules to achieve these various functions. As a result, the whole structure is cumbersome, and the control system is complex, often involving multiple control loops to finish a required task. Here, inspired by the scales that cover creatures like pangolins and fish, we developed a robotic structure that can vary its stiffness and change shape simultaneously in a highly integrated, compact body. The scale-inspired layered structure (SAILS) was enabled by the inversely designed programmable surface patterns of the scales. After fabrication, SAILS was inherently soft and flexible. When sealed in an elastic envelope and subjected to negative confining pressure, it transitioned to its designated shape and concurrently became stiff. SAILS could be actuated at frequencies as high as 5 hertz and achieved an apparent bending modulus change of up to 53 times between its soft and stiff states. We further demonstrated both the versatility of SAILS by developing a soft robot that is amphibious and adaptive and tunable landing systems for drones with the capacity to accommodate different loads.

Family and job microsystems as mediators between social integration and depression among rural-to-urban migrant workers in China: does having sons make a difference?

Background: Rural-to-urban migrant workers are a vulnerable group at risk of developing depression. Based on the social-ecological systems theory, this study investigates the impact of the lack of social integration on depression, considering the mediating roles of migrant workers' microsystems (family happiness and job burnout). Additionally, the study explores whether having sons influences these associations. Methods: The sample of 4,618 rural-to-urban migrant workers was obtained from the 2018 wave of the China Labor Force Dynamics Survey (CLDS). All the measures in the survey exhibited good reliability, including the Center for Epidemiological Research Depression Scale (CES-D), family happiness, job burnout, and social integration. The data were primarily analyzed using a structural equation model. Results: Social integration had a direct impact on depression among migrant workers. Additionally, it indirectly affected depression through the mediating roles of family happiness not job burnout. The moderating effect of having sons mainly occurred on the path from social integration to family happiness. Limitations: The cross-sectional design impeded the ability to draw causal inferences. Conclusion: This finding highlights the potential benefits of social integration and family happiness in promoting early prevention of depression among migrant workers. It indicates that the inclination toward having sons among migrant workers continues to impact their mental health.

The effect of childhood family adversity on adulthood depression among Chinese older migrant workers: gender differences in the mediating role of social-ecological systems.

BACKGROUND: Older migrant workers (OMWs) in China face unique challenges rooted in their early life experiences, which increase their vulnerability to psychological and behavioral problems in adulthood. By utilizing the cumulative disadvantage model and the social-ecological systems theory, this study explored the effect of childhood family adversity on adulthood depression in the mediating roles of OMWs' social-ecological microsystem and mesosystem and further examined gender differences in these associations. METHODS: Data were collected from the China Health and Retirement Longitudinal Study (CHARLS), involving a sample of 4,309 OMWs aged 50 and above. The measures included the Center for Epidemiological Research Depression Scale, childhood family adversity, socioeconomic status, marital quality, and physical and cognitive health. RESULTS: Childhood family adversity was positively associated with adulthood depression among OMWs. Social microsystem (physical and cognitive health) and mesosystem (marital quality and socioeconomic status) factors significantly mediated this relationship. Multi-group analysis revealed that the mediating effects of marital quality and socioeconomic status were stronger for female OMWs, while the mediating effects of physical and cognitive health were stronger for male OMWs. CONCLUSIONS: The findings suggest that childhood family adversity has a lasting impact on the mental health of OMWs, and that social-ecological systems factors play an important role in this relationship. The study also highlights the need for gender-specific interventions to address the mental health needs of OMWs.

Active Fabrics With Controllable Stiffness for Robotic Assistive Interfaces.

Assistive interfaces enable collaborative interactions between humans and robots. In contrast to traditional rigid devices, conformable fabrics with tunable mechanical properties have emerged as compelling alternatives. However, existing assistive fabrics actuated by fluidic or thermal stimuli struggle to adapt to complex body contours and are hindered by challenges such as large volumes after actuation and slow response rates. To overcome these limitations, inspiration is drawn from biological protective organisms combining hard and soft phases, and active assistive fabrics consisting of architectured rigid tiles interconnected with flexible actuated fibers are proposed. Through programmable tessellation of target body shapes into architectured tiles and controlling their interactions by the actuated fibers, the active fabrics can rapidly transition between soft compliant configurations and rigid states conformable to the body (>350 times stiffness change) while minimizing the device volume after actuation. The versatility of these active fabrics is demonstrated as exosuits for tremor suppression and lifting assistance, as body armors for impact mitigation, and integration with electrothermal actuators for smart actuation with convenient folding capabilities. This work offers a practical framework for designing customizable active fabrics with shape adaptivity and controllable stiffness, suitable for applications in wearable exosuits, haptic devices, and medical rehabilitation systems.

Detoxification of DON-induced hepatotoxicity in mice by cold atmospheric plasma.

Deoxynivalenol (DON) is one of the most common mycotoxins distributed in food and feed, which causes severe liver injury in humans and animals. Cold atmospheric plasma (CAP) has received much attention in mycotoxin degradation due to the advantages of easy operation, high efficiency, and low temperature. So far, the majority of studies have focused on the degradation efficiency and mechanism of CAP on DON, while there is still little information available on the hepatotoxicity of DON after CAP treatment. Herein, this study aimed to investigate the effect of CAP on DON-induced hepatotoxicity both in vitro and in vivo and its underlying mechanisms. The results showed that 120-s CAP treatment achieved 97 % degradation of DON. The vitro hepatotoxicity of DON in L02 cells was significantly reduced with CAP treatment time. Meanwhile, CAP markedly alleviated DON-induced liver injury in mice including the balloon-like degeneration of liver tissues and elevation of AST and ALP level. The underlying mechanism for CAP detoxification of DON-induced hepatotoxicity was further elucidated. The results showed that DON caused severe oxidative stress in cells by suppressing the antioxidant signaling pathway of Nrf2/HO-1/NQO-1, consequently leading to mitochondrial dysfunction and cell apoptosis, accompanied by cellular senescence and inflammation. CAP blocked DON inhibition on the Nrf2/HO-1/NQO-1 signaling pathway through the efficient degradation of DON, accordingly alleviating the oxidative stress and liver injury induced by DON. Therefore, CAP is an effective method to eliminate DON hepatotoxicity, which can be applied in the detoxification of mycotoxin-contaminated food and feed to ensure human and animal health.

Clinical, radiographic features and prognosis of cemental tear: A retrospective study of 63 teeth.

Cemental tears are often misdiagnosed due to their scarcity. In this study, we reported the second largest cohort of cemental tears thus far. By reviewing the radiographic data and medical records of 63 cemental tear teeth, we found that periapical periodontitis was the most frequent diagnosis, followed by cracked tooth/root fracture and periodontitis. Most of the cemental tear teeth that did not have root canal treatment had vital pulp. The apical third of the root was the most prominent site of cemental tears. Cemental tears occurred more frequently in the palatal root of the maxillary molars and in the mesial root of the two-root mandibular molars. Uncontrollable bone loss and tooth mobility were the two main reasons for the extraction of teeth with cemental tears. We suggest that cemental tears should be included in the differential diagnosis of periapical periodontitis, cracked tooth, vertical root fracture and periodontitis, especially for teeth with periapical radiolucency and vital pulp. We believe our study could provide more insights into cemental tears, which will aid clinicians in the early diagnosis and proper treatment of cemental tears.

GM-DETR: Research on a Defect Detection Method Based on Improved DETR.

Defect detection is an indispensable part of the industrial intelligence process. The introduction of the DETR model marked the successful application of a transformer for defect detection, achieving true end-to-end detection. However, due to the complexity of defective backgrounds, low resolutions can lead to a lack of image detail control and slow convergence of the DETR model. To address these issues, we proposed a defect detection method based on an improved DETR model, called the GM-DETR. We optimized the DETR model by integrating GAM global attention with CNN feature extraction and matching features. This optimization process reduces the defect information diffusion and enhances the global feature interaction, improving the neural network's performance and ability to recognize target defects in complex backgrounds. Next, to filter out unnecessary model parameters, we proposed a layer pruning strategy to optimize the decoding layer, thereby reducing the model's parameter count. In addition, to address the issue of poor sensitivity of the original loss function to small differences in defect targets, we replaced the L1 loss in the original loss function with MSE loss to accelerate the network's convergence speed and improve the model's recognition accuracy. We conducted experiments on a dataset of road pothole defects to further validate the effectiveness of the GM-DETR model. The results demonstrate that the improved model exhibits better performance, with an increase in average precision of 4.9% (mAP@0.5), while reducing the parameter count by 12.9%.

Exploring Biomolecular Conformational Dynamics with Polarizable Force Field AMOEBA and Enhanced Sampling Method Milestoning.

Conformational dynamics play a crucial role in determining the behavior of the biomolecules. Polarizable force fields, such as AMOEBA, can accurately capture electrostatic interactions underlying the conformational space. However, applying a polarizable force field in molecular dynamics (MD) simulations can be computationally expensive, especially in studying long-time-scale dynamics. To overcome this challenge, we incorporated the AMOEBA potential with Milestoning, an enhanced sampling method in this work. This integration allows us to efficiently sample the rare and important conformational states of a biomolecule by using many short and independent molecular dynamics trajectories with the AMOEBA force field. We applied this method to investigate the conformational dynamics of alanine dipeptide, DNA, and RNA A-B form conversion. Well-converged thermodynamic and kinetic properties were obtained, including the free energy difference, mean first passage time, and critical transitions between states. Our results demonstrate the power of integrating polarizable force fields with enhanced sampling methods in quantifying the thermodynamic and kinetic properties of biomolecules at the atomic level.