Diabatic Potential Energy Surfaces of SrH2+ and Dynamics Studies of the Sr+(5s2S) + H2 Reaction.

Based on the ab initio energy points of both ground and excited states, a neural network fitting method combined with a specific function was successfully used to construct the diabatic potential energy surfaces (PESs) of the SrH2+ system. The topographical features of the diabatic PESs were examined in detail. The results indicate that the nonadiabatic transition characteristics between ground and excited states are accurately described by the newly constructed diabatic PESs. To verify the validity and applicability of the diabatic PESs, as well as the nonadiabatic effects during the reaction process, the quantum dynamics studies of the Sr+(5s2S) + H2 reaction were performed based on both adiabatic and diabatic PESs. The dynamics results indicate that adiabatic dynamics results are dozens of times larger than those of nonadiabatic. This illustrates the significant effect of nonadiabaticity, indicating that adiabatic dynamics results often overestimate the actual values. The integral cross sections (ICSs) were calculated and compared with the experimental data. The diabatic ICSs are in good agreement with the experimental results. The reasonable dynamics results indicate that the newly constructed diabatic PESs are suitable for the relevant dynamics studies.

A Novel Swarm-Exploring Neurodynamic Network for Obtaining Global Optimal Solutions to Nonconvex Nonlinear Programming Problems.

A swarm-exploring neurodynamic network (SENN) based on a two-timescale model is proposed in this study for solving nonconvex nonlinear programming problems. First, by using a convergent-differential neural network (CDNN) as a local quadratic programming (QP) solver and combining it with a two-timescale model design method, a two-timescale convergent-differential (TTCD) model is exploited, and its stability is analyzed and described in detail. Second, swarm exploration neurodynamics are incorporated into the TTCD model to obtain an SENN with global search capabilities. Finally, the feasibility of the proposed SENN is demonstrated via simulation, and the superiority of the SENN is exhibited through a comparison with existing collaborative neurodynamics methods. The advantage of the SENN is that it only needs a single recurrent neural network (RNN) interact, while the compared collaborative neurodynamic approach (CNA) involves multiple RNN runs.

Interstitial Optical Fiber-Mediated Multimodal Phototheranostics Based on an Aggregation-Induced NIR-II Emission Luminogen for Orthotopic Breast Cancer Treatment.

One-for-all phototheranostics based on a single molecule is recognized as a convenient approach for cancer treatment, whose efficacy relies on precise lesion localization through multimodal imaging, coupled with the efficient exertion of phototherapy. To unleash the full potential of phototheranostics, advancement in both phototheranostic agents and light delivery methods is essential. Herein, an integrated strategy combining a versatile molecule featuring aggregation-induced emission, namely tBuTTBD, with a modified optical fiber to realize comprehensive tumor diagnosis and "inside-out" irradiation in the orthotopic breast tumor, is proposed for the first time. Attributed to the intense donor-acceptor interaction, highly distorted conformation, abundant molecular rotors, and loose intermolecular packing upon aggregation, tBuTTBD can synchronously undergo second near-infrared (NIR-II) fluorescence emission, photothermal and photodynamic generation under laser irradiation, contributing to a trimodal NIR-II fluorescence-photoacoustic (PA)-photothermal imaging-guided phototherapy. The tumor treatment is further carried out following the insertion of a modified optical fiber, which is fabricated by splicing a flat-end fiber with an air-core fiber. This configuration aims to enable effective in situ phototherapy by maximizing energy utilization for therapeutic benefits. This work not only enriches the palette of NIR-II phototheranostic agents but also provides valuable insight for exploring an integrated phototheranostic protocol for practical cancer treatment.

Schoolhouse risk: Can we mitigate the polygenic Pygmalion effect?

BACKGROUND: Although limited in predictive accuracy, polygenic scores (PGS) for educational outcomes are currently available to the public via direct-to-consumer genetic testing companies. Further, there is a growing movement to apply PGS in educational settings via 'precision education.' Prior scholarship highlights the potentially negative impacts of such applications, as disappointing results may give rise a "polygenic Pygmalion effect." In this paper two studies were conducted to identify factors that may mitigate or exacerbate negative impacts of PGS. METHODS: Two studies were conducted. In each, 1188 students were randomized to one of four conditions: Low-percentile polygenic score for educational attainment (EA-PGS), Low EA-PGS + Mitigating information, Low EA-PGS + Exacerbating information, or Control. Regression analyses were used to examine differences between conditions. RESULTS: In Study 1, participants randomized to Control reported significantly higher on the Rosenberg Self-Esteem Scale (RSES), Competence Scale (CS), Academic Efficacy Scale (AES) and Educational Potential Scale (EPS). CS was significantly higher in the Low EA-PGS + Mitigating information condition. CS and AES were significantly lower in the Low EA-PGS + Exacerbating information condition compared to the Low EA-PGS + Mitigating information condition. In Study 2, participants randomized to Control reported significantly higher CS and AES. Pairwise comparisons did not show significant differences in CS and AES. Follow-up pairwise comparisons using Tukey P-value correction did not find significant associations between non-control conditions. CONCLUSION: These studies replicated the polygenic Pygmalion effect yet were insufficiently powered to detect significant effects of mitigating contextual information. Regardless of contextual information, disappointing EA-PGS results were significantly associated with lower assessments of self-esteem, competence, academic efficacy, and educational potential.

NLRP3-mediated autophagy dysfunction links gut microbiota dysbiosis to tau pathology in chronic sleep deprivation.

Emerging evidence indicates that sleep deprivation (SD) can lead to Alzheimer's disease (AD)-related pathological changes and cognitive decline. However, the underlying mechanisms remain obscure. In the present study, we identified the existence of a microbiota-gut-brain axis in cognitive deficits resulting from chronic SD and revealed a potential pathway by which gut microbiota affects cognitive functioning in chronic SD. Our findings demonstrated that chronic SD in mice not only led to cognitive decline but also induced gut microbiota dysbiosis, elevated NLRP3 inflammasome expression, GSK-3ß activation, autophagy dysfunction, and tau hyperphosphorylation in the hippocampus. Colonization with the "SD microbiota" replicated the pathological and behavioral abnormalities observed in chronic sleep-deprived mice. Remarkably, both the deletion of NLRP3 in NLRP3 -/- mice and specific knockdown of NLRP3 in the hippocampus restored autophagic flux, suppressed tau hyperphosphorylation, and ameliorated cognitive deficits induced by chronic SD, while GSK-3ß activity was not regulated by the NLRP3 inflammasome in chronic SD. Notably, deletion of NLRP3 reversed NLRP3 inflammasome activation, autophagy deficits, and tau hyperphosphorylation induced by GSK-3ß activation in primary hippocampal neurons, suggesting that GSK-3ß, as a regulator of NLRP3-mediated autophagy dysfunction, plays a significant role in promoting tau hyperphosphorylation. Thus, gut microbiota dysbiosis was identified as a contributor to chronic SD-induced tau pathology via NLRP3-mediated autophagy dysfunction, ultimately leading to cognitive deficits. Overall, these findings highlight GSK-3ß as a regulator of NLRP3-mediated autophagy dysfunction, playing a critical role in promoting tau hyperphosphorylation.

The diagnostic value of serum exosomal SNORD116 and SNORA21 for NSCLC patients.

PURPOSE: Non-small cell lung cancer (NSCLC) is a widespread and serious global malignancy. This study aimed to examine the clinical relevance of serum exosomal SNORD116 and SNORA21 as novel diagnostic biomarkers for NSCLC. METHODS: Serum exosomes from 226 healthy controls and 305 NSCLC patients were isolated by ultracentrifugation. Characterization of exosomes was conducted by qNano, transmission electron microscopy (TEM) and Western immunoblotting. RT-PCR revealed snoRNAs that were differentially expressed. Receiver operating characteristic (ROC) analysis was used to assess the diagnostic performance. RESULTS: In NSCLC patients, the levels of serum exosomal SNORD116 and SNORA21 were significantly reduced compared to those in healthy controls (P < 0.0001 for both). ROC curves showed AUC values of 0.738 and 0.761. By combining SNORD116 and SNORA21 with traditional blood biomarkers CYFRA21-1 and carcinoembryonic antigen (CEA), the AUC increased to 0.917. Moreover, these two exosomal snoRNAs distinguished between patients with metastatic NSCLC (n = 132) and those with non-metastatic NSCLC (n = 173) significantly (P < 0.0001 for both). The ROC curves gave AUC values of 0.743 and 0.694, respectively. The combined analysis raised the AUC to 0.751. The diagnostic power of these two exosomal snoRNAs combined with CYFRA21-1 and CEA increased to 0.784. CONCLUSION: This study demonstrated that serum exosomal SNORD116 and SNORA21 can be used as potential promising non-invasive diagnostic biomarkers for NSCLC.

Ferrovalley and Quantum Anomalous Hall Effect in Janus TiTeCl Monolayer.

Ferrovalley materials are garnering significant interest for their potential roles in advancing information processing and enhancing data storage capabilities. This study utilizes first-principles calculations to determine that the Janus monolayer TiTeCl exhibits the properties of a ferrovalley semiconductor. This material demonstrates valley polarization with a notable valley splitting of 80 meV. Additionally, the Berry curvature has been computed across the first Brillouin zone of the monolayer TiTeCl. The research also highlights that topological phase transitions ranging from ferrovalley and half-valley metals to quantum anomalous Hall effect states can occur in monolayer TiTeCl under compressive strains ranging from -1% to 0%. Throughout these strain changes, monolayer TiTeCl maintains its ferromagnetic coupling. These characteristics make monolayer TiTeCl a promising candidate for the development of new valleytronic and topological devices.

The Effects of Posture on Mind Wandering.

Using two executive tasks, we explored how body posture influences mind wandering, a universal internally self-generated activity. Specifically, participants were instructed to perform the Sustained Attention Response Task (SART) and the Flanker task under three postural conditions: lying supine, sitting, and standing upright. These tasks reflect the proactive and reactive modes of executive control, respectively. To measure the frequency of mind wandering, we employed the probe-caught technique, presenting prompts at irregular intervals. The results indicate that, compared to standing and sitting positions, lying supine significantly increased mind wandering, while posture had no effect on either measure of executive control. We suggest that changes in posture alter cognitive activity related to self-generated thoughts and external tasks, whereas the relationship between mind wandering and executive control requires further research.

Inhibition of microelement accumulation and disorder of saccharide and amino acid metabolism explain rice grain empty under dimethylarsinic acid stress.

KEY MESSAGE: Metabolomic and transcriptomic analyses revealed an intensification of energy metabolism in rice grains under DMA stress, possibly causing the consumption of sugars or non-sugars and the development of unfilled grains Excessive dimethylarsinic acid (DMA) causes rice straighthead disease, a physiological disorder typically with erect panicle due to empty grain at maturity. Although the toxicity of DMA and its uptake and transport in rice are well recognized, the underlying mechanism of unfilled grains remains unclear. Therefore, a pot experiment was conducted using a susceptible variety (Ruanhuayou1179, RHY) and a resistant one (Nanjingxiangzhan, NJXZ) via the metabolomic and transcriptomic approaches to explore the mechanisms of empty grains in diseased rice under DMA stress. The results demonstrate an increase in total and methylated As in grains of RHY and NJXZ under DMA addition, with RHY containing higher levels of DMA. DMA addition increased the soluble sugar content in grains of RHY and NJXZ by 17.1% and 14.3% compared to the control, respectively, but significantly reduced the levels of amino acid, soluble protein, and starch. The decrease of grain Zn and B contents was also observed, and inadequate Zn might be a key factor limiting rice grain yield under DMA stress. Notably, DMA addition altered the expression levels of genes involved in the transport of sugar, amino acids, nitrates/peptides, and mineral ions. In sugar and amino acid metabolism, the reduction of metabolites and the upregulated expression of genes reflect positive regulation at the level of energy metabolism, implying that the reduction of grain starch and proteins might be ascribed to generate sufficient energy to resist the stress. This study provides a useful reference for understanding the molecular mechanism of grain emptying under DMA stress.

Tropism-shifted AAV-PHP.eB-mediated bFGF gene therapy promotes varied neurorestoration after ischemic stroke in mice.

ABSTRACT: AAV-PHP.eB is an artificial adeno-associated virus (AAV) that crosses the blood-brain barrier and targets neurons more efficiently than other AAVs when administered systematically. While AAV-PHP.eB has been used in various disease models, its cellular tropism in cerebrovascular diseases remains unclear. In the present study, we aimed to elucidate the tropism of AAV-PHP.eB for different cell types in the brain in a mouse model of ischemic stroke and evaluate its effectiveness in mediating basic fibroblast growth factor (bFGF) gene therapy. Mice were injected intravenously with AAV-PHP.eB either 14 days prior to (pre-stroke) or 1 day following (post-stroke) transient middle cerebral artery occlusion. Notably, we observed a shift in tropism from neurons to endothelial cells with post-stroke administration of AAV-PHP.eB-mNeonGreen (mNG). This endothelial cell tropism correlated strongly with expression of the endothelial membrane receptor lymphocyte antigen 6 family member A (Ly6A). Furthermore, AAV-PHP.eB-mediated overexpression of bFGF markedly improved neurobehavioral outcomes and promoted long-term neurogenesis and angiogenesis post-ischemic stroke. Our findings underscore the significance of considering potential tropism shifts when utilizing AAV-PHP.eB-mediated gene therapy in neurological diseases and suggest a promising new strategy for bFGF gene therapy in stroke treatment.

Vitamin D binding protein in psychiatric and neurological disorders: Implications for diagnosis and treatment.

Vitamin D binding protein (VDBP) serves as a key transporter protein responsible for binding and delivering vitamin D and its metabolites to target organs. VDBP plays a crucial part in the inflammatory reaction following tissue damage and is engaged in actin degradation. Recent research has shed light on its potential role in various diseases, leading to a growing interest in understanding the implications of VDBP in psychiatric and neurological disorders. The purpose of this review was to provide a summary of the existing understanding regarding the involvement of VDBP in neurological and psychiatric disorders. By examining the intricate interplay between VDBP and these disorders, this review contributes to a deeper understanding of underlying mechanisms and potential therapeutic avenues. Insights gained from the study of VDBP could pave the way for novel strategies in the diagnosis, prognosis, and treatment of psychiatric and neurological disorders.

Preparation of Perilla frutescens L. essential oil hydrogel beads and preservation application research in strawberry.

Perilla frutescens L. essential oil (PLEO) has antibacterial and antioxidant properties, which can effectively maintain the quality of fruits and extend their shelf life. In this study, sodium alginate and chitosan were used as wall materials, and PLEO microcapsule powder was used as the core materials to prepare PLEO hydrogel beads. The best results were obtained by using 2%w/v sodium alginate and 1.5%w/v chitosan as wall materials, with a core-to-wall ratio of 2:1 and homogenized for 15 min producing PLEO hydrogel beads with encapsulation efficiency of 82.61 %. For strawberries preservation, PLEO hydrogel beads preservation group had a better effect after 5 d of storage, showing a lower decay rate (15.71 %), better maintaining the hardness of 1.75 kg/cm2, and a weight loss of 3.29 %. Furthermore, organic acids and total phenols were retained more in this group, the number of microorganisms was significantly reduced, and sensory qualities were improved, especially taste and color. This study provides important insights into the application of natural preservatives in the food industry and promotes sustainable practices in food preservation.

[Progress of research on circular RNA encoding proteins in disease].

With the advance of research, non-coding RNA has been found to surpass the traditional definition to directly code functional proteins by coding sequence elements and binding with ribosomes. Among the non-coding RNAs, the function of circRNA encoded proteins has been most extensively studied. This study has used "circRNA", "encoded", and "translation" as the key words to search the PubMed and Web of Science databases. The retrieved literature was screened and traced, with the translation mechanism, related research methods, and correlation with diseases of circRNA reviewed. CircRNA can translate proteins through a non-cap-dependent pathway. Multiple molecular techniques, in particular mass spectrometry analysis, have important value in identifying unique peptide segments of circRNA encoded proteins for confirming their existence. The proteins encoded by the circRNA are involved in the pathogenesis of diseases of the digestive, neurological, urinary systems and the breast, and have the potential to serve as novel targets for disease diagnosis and treatment. This article has provided a comprehensive review for the basic theory, experimental methods, and disease-related research in the field of circRNA translation, which may provide clues for the identification of new diagnostic and therapeutic targets.

Genomic characterization of a multidrug-resistant Klebsiella pneumoniae co-harboring blaNDM-1, blaKPC-2, and tet(A) isolated from the bloodstream infections of patients.

OBJECTIVES: Carbapenem-resistant Klebsiella pneumoniae (CRKP), a superbug that can be difficult or impossible to treat, has become a worldwide problem. This study presents the first report of a CRKP strain carrying a plasmid co-harboring blaNDM-1, blaKPC-2, and tet(A) and the subsequent analysis of its genomic features. METHODS: Isolation and identification of bacteria, antimicrobial susceptibility test, whole genome sequencing, and conjugation experiments assay were conducted in clinical epidemiological investigations and plasmid genetic characterization analysis. RESULTS: A total of 116 strains of bacteria were isolated from patients with bloodstream infections (BSI) between 2018 and 2023. A total of 89.66% of the isolates were carbapenem-resistant Enterobacteriaceae (CRE), with the majority (75/116) being CRKP. Among these, a novel plasmid co-harboring blaNDM-1, blaKPC-2, and tet(A) simultaneously was found in CRKP46, and the three genes mediated conjugation by IS26, ISAba125, and IS26, respectively. This plasmid conferred carbapenem resistance to E. coli J53 after conjugative transfer, which was 2 times greater than that of CRKP46. CONCLUSION: The present study identified the occurrence of a rare plasmid co-harboring blaNDM-1, blaKPC-2, and tet(A), and the spread of these genes was mediated by the corresponding mobile elements. The increased carbapenem resistance created by this novel plasmid challenges public health security and poses a potential threat to human health; therefore, it deserves attention.

Electrical storm after acute myocardial infarction treated with Radiofrequency ablation under the Escort of ICD.

The occurrence of ventricular tachycardia (VT) in patients with acute myocardial infarction (AMI) is associated with poor prognosis. Drug therapy and implantable cardioverter-defibrillators (ICDs) are effective methods to prevent sudden death. Radiofrequency (RF) catheter ablation can map the matrix and mechanism of VT, thereby effectively reducing the occurrence of ICD discharge. This paper reports on the case of a middle-aged man who underwent emergency percutaneous coronary intervention for AMI and developed VT and ventricular fibrillation on day 7 after reperfusion. An ICD was implanted. On day 19, he received catheter ablation because of refractory monomorphic ventricular tachycardia and frequent discharge of the ICD. After three months, the patient had not experienced any further ventricular tachycardia attacks. The conclusion is that RF catheter ablation can resolve the ES after myocardial infarction and significantly reduce the occurrence of ICD discharges.

Impact of 5-20% Hydroponic Wheat Sprouts Inclusion on Growth and Metabolic Parameters of Growing Ewes.

The aim of this study was to assess the impact of varying proportions (5-20%) of hydroponic wheat sprouts in the diet of growing four-month-old Hu ewes on their productive performance, metabolic profiles, rumen fermentation, and alterations in microflora. Compared with the control group (CON), the optimum final weight of ewes has been presented in the group of substitution 15% (S15) of the basal diet with hydroponic wheat sprouts. Furthermore, 1-30 d the average daily gain (ADG), 31-60 d ADG, and average feed intake were both significantly improved in S15 compared with CON (p < 0.05). Feeding hydroponic wheat sprouts can significantly increase high-density lipoprotein and interleukin-2 (p < 0.05) accompanied by the numerical increase of the content of interferon-γ, suggesting its positive effect on ewes' health and immune systems. In this process, it is noteworthy that feeding hydroponic wheat sprouts results in an increase in relative abundance of Olsenella, Limosilactobacillus, Shuttleworthia, and Prevotella_7, and a decrease in relative abundance of Succinimonas, Pseudobutyrivibrio, and Anaerovibrio in the rumen of growing ewes. It implies that the response of rumen microflora adapted to the change of dietary ingredients, as well as the relationship between rumen microflora changes and the improvement of productive performance and immune system in growing ewes. Considering the usage cost and application effect, S15 of the basal diet with hydroponic wheat sprouts could be the appropriate application solution for growing ewes.

Prussian blue nanoparticles coated with tumor cell membranes for precise photothermal therapy and subsequent inflammation reduction.

The utilization of photothermal agents (PTAs) in photothermal therapy (PTT) is faced with challenges such as immune clearance and inadequate concentration, which consequently result in residual tumors and an increased risk of recurrence and metastasis. Conversely, excessive treatment can lead to heightened inflammation and inevitable harm to adjacent healthy tissues. To address these issues, we developed a nanosystem (M@PB) consisting of Prussian blue coated with tumor cell membrane for precise photothermal therapy (PTT) and subsequent reduction of inflammation. This system not only evades immune attack due to the homologous biological characteristics of the encapsulating cell membrane but also exhibits active targeting capabilities towards homologous tumors. Furthermore, it effectively reduces excessive phototoxicity by leveraging the distinctive photothermal and anti-inflammatory characteristics of PB nanoparticles. The resulting M@PB nanosystem demonstrates effective photothermal ablation under 808 nm laser irradiation while mitigating the inflammatory response through inhibiting of local production of inflammatory mediators. Our study provides valuable insights into achieving targeted PTT with high efficiency while minimizing post-treatment inflammatory responses.

Research on Deployable Wings for MAVs Bioinspired by the Hind Wings of the Beetle Protaetia brevitarsis.

Deployable hind wings of beetles led to a bio-inspired idea to design deployable micro aerial vehicles (MAVs) to meet the requirement of miniaturization. In this paper, a bionic deployable wing (BD-W) model is designed based on the folding mechanism and elliptical wing vein structure of the Protaetia brevitarsis hindwing, and its structural static and aerodynamic characteristics are analyzed by using ANSYS Workbench. Finally, the 3D-printed bionic deployable wing was tested in a wind tunnel and compared with simulation experiments to explore the effects of different incoming velocity, flapping frequency, and angle of attack on its aerodynamic characteristics, which resulted in the optimal combination of the tested parameters, among which, the incoming velocity is 3 m/s, the flapping frequency is 10 Hz, the angle of attack is 15°, and the lift-to-drag ratio of this parameter combination is 4.91. The results provide a theoretical basis and technical reference for the further development of bionic flapping wing for MAV applications.

Data imbalance in cardiac health diagnostics using CECG-GAN.

Heart disease is the world's leading cause of death. Diagnostic models based on electrocardiograms (ECGs) are often limited by the scarcity of high-quality data and issues of data imbalance. To address these challenges, we propose a conditional generative adversarial network (CECG-GAN). This strategy enables the generation of samples that closely approximate the distribution of ECG data. Additionally, CECG-GAN addresses waveform jitter, slow processing speeds, and dataset imbalance issues through the integration of a transformer architecture. We evaluated this approach using two datasets: MIT-BIH and CSPC2020. The experimental results demonstrate that CECG-GAN achieves outstanding performance metrics. Notably, the percentage root mean square difference (PRD) reached 55.048, indicating a high degree of similarity between generated and actual ECG waveforms. Additionally, the Fréchet distance (FD) was approximately 1.139, the root mean square error (RMSE) registered at 0.232, and the mean absolute error (MAE) was recorded at 0.166.

Stem Cell-Derived Nanovesicles Embedded in Dual-Layered Hydrogel for Programmed ROS Regulation and Comprehensive Tissue Regeneration in Burn Wound Healing.

Burn wounds often bring high risks of delayed healing process and even death. Reactive oxygen species (ROS) play a crucial role in burn wound repair. However, the dynamic process in wound healing requires both the generation of ROS to inhibit bacteria and the subsequent reduction of ROS levels to initiate and promote tissue regeneration, which calls for a more intelligent ROS regulation dressing system. Hence, a dual-layered hydrogel (Dual-Gel) tailored to the process of burn wound repair is designed: the inner layer hydrogel (Gel 2) first responds to bacterial hyaluronidase (Hyal) to deliver aggregation-induced emission photosensitizer functionalized adipose-derived stem cell nanovesicles, which generate ROS upon light irradiation to eliminate bacteria; then the outer layer hydrogel (Gel 1) continuously starts a long-lasting consumption of excess ROS at the wound site to accelerate tissue regeneration. Simultaneously, the stem cell nanovesicles trapped in the burns wound also provide nutrients and mobilize neighboring tissues to thoroughly assist in inflammation regulation, cell proliferation, migration, and angiogenesis. In summary, this study develops an intelligent treatment approach on burn wounds by programmatically regulating ROS and facilitating comprehensive wound tissue repair.