Study on the Erosion Resistance of Different TiN Crystal Planes by Molecular Dynamics.

In this study, we innovatively combined the Fe-Ti-N potential function file to construct simulation models of different crystal facets of TiN/Fe ((001), (110), and (111)), which had not been previously explored. Employing molecular dynamics (MD) simulations, the research investigates the microscale differences in erosion resistance and surface properties of various TiN crystal planes under continuous impacts at varying velocities and angles. The results indicate that both surface wear and internal defects of the model increase with the impact velocity. Both TiN(110) and TiN(111) exhibit damage on their surfaces and interiors, with a larger wear range. In contrast, TiN(001), due to its superior elastic recovery capability, maintains a better surface condition, showing significantly less wear compared to TiN(110) and TiN(111). This disparity in performance among different crystal planes is attributed to variations in molecular gaps between planes, bonding points within the lattice, types of forces, and modes of action. Further research revealed that the wear volume increased with the rise in impact angle, reaching its peak at 90°. Regardless of the impact angle, TiN(001) consistently outperformed TiN(110) and TiN(111). The aim of the research is to compare the surface and internal defects of different crystal facets at the microscopic level, thereby selecting superior crystal facets and providing theoretical reference for the application of TiN materials in practical fracturing environments.

Blue-Light-Excitable Red-Emitting Organic Antimony Halides as a Reversible Humidity Sensor.

Zero-dimensional organic antimony halides have attracted significant attention recently due to their structural variety, tunable optical properties, and high luminescence efficiency. Here, a new series of antimony bromide hybrid structures with seesaw [SbBr4] and pyramidal [SbBr5] geometries are reported with low band gaps and blue-light excited red emissions. Their luminescence is attributed to self-trapped excitons with a broadband emission of a large Stokes shift. Their photoluminescence signal is sensitive to water molecules, with a reversible positive correlation in a relative humidity range of 30-90%, enabling them as potential materials for real-time, self-consistent humidity sensors.

Effect of factor VIII and FVIII/PC ratio on portal vein thrombosis in liver cirrhosis: a systematic review and meta­analysis.

BACKGROUND: To date, there is an ongoing debate regarding the ability to predict PVT development using markers of FVIII or FVIII/PC ratio. This study presents evidence-based medical findings on the influence of FVIII activity levels and FVIII/PC values in the formation of PVT in cirrhosis. METHODS: The search for original studies on risk factors for portal vein thrombosis (PVT) associated with cirrhosis was conducted, which primarily focused on comparing circulating FVIII activity levels or FVIII/PC ratio in cirrhotic patients with and without PVT. The quality of evidence from each study was assessed using the Newcastle-Ottawa Scale. RESULTS: The meta-analysis included a total of 10 original studies. In total, 2250 cirrhotic patients were included, with 414 having PVT and 1836 without PVT. The pooled analysis using a random-effects model showed no significant difference in standardized mean difference (SMD) for FVIII activity levels in cirrhotic patients with or without PVT (SMD = 0.12, 95% CI=-0.46 to 0.70, P = 0.68), but there was significant heterogeneity (I2 = 95.52%, P = 0.00). Meta-regression analysis indicated that differences in mean FVIII activity levels in the PVT group, the number of cases in the non-PVT group, and the study design methods partially contributed to the heterogeneity (P < 0.05). However, compared to the non-PVT group, the PVT group had higher FVIII/PC ratio with a statistically significant difference (SMD = 0.39, 95% CI: 0.15 to 0.63, P = 0.00), and there was no significant heterogeneity (I2 = 28.62%). CONCLUSION: In conclusion, the FVIII/PC ratio not only reflects the severity of liver disease, but also can be used as one of the predictors of PVT development.

Activation of polyimide by oxygen plasma for atomic layer deposition of highly compact titanium oxide coating.

Titanium oxide (TiO2) coated polyimide has broad application prospects under extreme conditions. In order to obtain a high-quality ultra-thin TiO2coating on polyimide by atomic layer deposition (ALD), the polyimide was activated byin situoxygen plasma. It was found that a large number of polar oxygen functional groups, such as carboxyl, were generated on the surface of the activated polyimide, which can significantly promote the preparation of TiO2coating by ALD. The nucleation and growth of TiO2were studied by x-ray photoelectron spectroscopy monitoring and scanning electron microscopy observation. On the polyimide activated by oxygen plasma, the size of TiO2nuclei decreased and the quantity of TiO2nuclei increased, resulting in the growth of a highly uniform and dense TiO2coating. This coating exhibited excellent resistance to atomic oxygen. When exposed to 3.5 × 1021atom cm-2atomic oxygen flux, the erosion yield of the polyimide coated with 100 ALD cycles of TiO2was as low as 3.0 × 10-25cm3/atom, which is one order less than that of the standard POLYIMIDE-ref Kapton®film.

Ultrathin Al2O3film modification on waterborne epoxy coatings by atomic layer deposition for augmenting the corrosion resistance.

The polar channels formed by the curing of waterborne anticorrosive coatings compromise their water resistance, leading to coating degradation and metal corrosion. To enhance the anticorrosive performance of waterborne coatings, this study proposed a novel method of depositing ultrathin Al2O3films on the surface of waterborne epoxy coatings by atomic layer deposition, a technique that can modify the surface properties of polymer materials by depositing functional films. The Al2O3-modified coatings exhibited improved sealing and barrier properties by closing the polar channels and surface defects and cracks. The surface structure and morphology of the modified coatings were characterized by x-ray photoelectron spectroscopy and scanning electron microscopy. The hydrophilicity and corrosion resistance of the modified coatings were evaluated by water contact angle measurement, Tafel polarization curve, and electrochemical impedance spectroscopy. The results indicated that the water contact angle of the Al2O3-modified coating increased by 48° compared to the unmodified coating, and the protection efficiency of the modified coating reached 99.81%. The Al2O3-modified coating demonstrated high anticorrosive efficiency and potential applications for metal anticorrosion in harsh marine environments.

First-principles prediction of the thermal conductivity of two configurations of difluorinated graphene monolayer.

Lattice thermal conductivity (κL) plays a crucial role in the thermal management of electronic devices. In this study, we systematically investigate the thermal transport properties of monolayer fluorinated graphene using a combination of machine learning-based interatomic potentials and the phonon Boltzmann transport equation. At a temperature of 300 K, we find that the κL values for chair-configured fluorinated graphene monolayers are 184.24 W m-1 K-1 in the zigzag direction and 205.57 W m-1 K-1 in the armchair direction. For the boat configuration, the κL values are 120.45 W m-1 K-1 and 64.26 W m-1 K-1 in the respective directions. The disparities in κL between these two configurations predominantly stem from differences in phonon relaxation times, which can be elucidated by examining the Grüneisen parameters representing the degree of anharmonicity. A more in-depth analysis of bond strengths, as assessed by the crystal orbital Hamiltonian population, reveals that the stronger in-plane CC bonds in chair-configured fluorinated graphene monolayers are the primary contributors to the observed variations in anharmonicity.

[Effects of virtual reality in phase I cardiac rehabilitation training for elderly coronary heart disease patients after percutaneous coronary intervention].

The study aimed to examine the effects of virtual reality (VR) technology-based phase I cardiac rehabilitation (CR) program in elderly coronary heart disease (CHD) patients after percutaneous coronary intervention (PCI). Thirty-six cases of elderly CHD patients who underwent PCI in the First Affiliated Hospital of Chongqing Medical University from June 2022 to April 2023 were recruited by convenience sampling method. The patients were randomly assigned by means of random digital table method to two study groups: control group (n = 18), which received conventional nursing intervention after PCI, and experimental group (n = 18), which received a combined program of conventional nursing intervention together with CR program based on VR technology. The 6 min walk test (6MWT), Simple Physical Performance Battery (SPPB), SF-36 scale, Hospital Anxiety and Depression Scale (HADS) and Impact of Events Scale-Revised (IES-R) were tested before and after rehabilitation. Moreover, the incidence of major adverse cardiovascular events (MACE) was recorded at 3 months after PCI. After VR-based CR, the 6MWT distance and SPPB scores of patients in the experimental group were higher than those in control group (P < 0.05). The HADS scores and IES-R scores of the patients in the experimental group were lower than those in control group (P < 0.01), and the difference in SF-36 scale scores was not statistically significant between two groups (P > 0.05). The incidence of MACE was not significantly different at 3 months after PCI (P > 0.05). These results suggest that VR-based phase I CR program mitigates the degree of PCI postoperative stress, anxiety, and depression in elderly CHD patients, however, enhances the resistance to fatigue and does not increase the risk of adverse cardiac events, suggesting it is a safe intervention.

[Safety evaluation of Tibetan medicine Qishiwei Zhenzhu Pills based on serum pharmacochemistry and network pharmacology].

To explore the mechanism of the active ingredients of Qishiwei Zhenzhu Pills in inhibiting the hepatorenal toxicity of the zogta component based on serum pharmacochemistry and network pharmacology, thereby providing references for the clinical safety application of Qishiwei Zhenzhu Pills. The small molecular compounds in the serum containing Qishiwei Zhenzhu Pills of mice were identified by high performance liquid chromatography-tandem mass spectrometry(HPLC-MS/MS). Then, by comprehensively using Traditional Chinese Medicines Systems Pharmacology(TCMSP), High-throughput Experiment-and Reference-guided Database(HERB), PubChem, GeneCards, SuperPred, and other databases, the active compounds in the serum containing Qishiwei Zhenzhu Pills were retrieved and their action targets were predicted. The predicted targets were compared with the targets of liver and kidney injury related to mercury toxicity retrieved from the database, and the action targets of Qishiwei Zhenzhu Pills to inhibit the potential mercury toxicity of zogta were screened out. Cytoscape was used to construct the active ingredient in Qishiwei Zhenzhu Pills-containing serum-action target network, and STRING database was used to construct the protein-protein interaction(PPI) network of intersection targets. The Gene Ontology(GO) and Kyoto Encyclopedia of Genes and Genomes(KEGG) enrichment analyses were carried out on the target genes by the DAVID database. The active ingredient-target-pathway network was constructed, and the key ingredients and targets were screened out for molecular docking verification. The results showed that 44 active compounds were identified from the serum containing Qishiwei Zhenzhu Pills, including 13 possible prototype drug ingredients, and 70 potential targets for mercury toxicity in liver and kidney were identified. Through PPI network topology analysis, 12 key target genes(HSP90AA1, MAPK3, STAT3, EGFR, MAPK1, APP, MMP9, NOS3, PRKCA, TLR4, PTGS2, and PARP1) and 6 subnetworks were obtained. Through GO and KEGG analysis of 4 subnetworks containing key target genes, the interaction network diagram of active ingredient-action target-key pathway was constructed and verified by molecular docking. It was found that taurodeoxycholic acid, N-acetyl-L-leucine, D-pantothenic acid hemicalcium, and other active ingredients may regulate biological functions and pathways related to metabolism, immunity, inflammation, and oxidative stress by acting on major targets such as MAPK1, STAT3, and TLR4, so as to inhibit the potential mercury toxicity of zogta in Qishiwei Zhenzhu Pills. In conclusion, the active ingredients of Qishiwei Zhenzhu Pills may have a certain detoxification effect, thus inhibiting the potential mercury toxicity of zogta and playing a role of reducing toxicity and enhancing effect.

Achieving adjustable elasticity with non-affine to affine transition.

For various engineering and industrial applications it is desirable to realize mechanical systems with broadly adjustable elasticity to respond flexibly to the external environment. Here we discover a topology-correlated transition between affine and non-affine regimes in elasticity in both two- and three-dimensional packing-derived networks. Based on this transition, we numerically design and experimentally realize multifunctional systems with adjustable elasticity. Within one system, we achieve solid-like affine response, liquid-like non-affine response and a continuous tunability in between. Moreover, the system also exhibits a broadly tunable Poisson's ratio from positive to negative values, which is of practical interest for energy absorption and for fracture-resistant materials. Our study reveals a fundamental connection between elasticity and network topology, and demonstrates its practical potential for designing mechanical systems and metamaterials.

Fast crystal growth at ultra-low temperatures.

It is believed that the slow liquid diffusion and geometric frustration brought by a rapid, deep quench inhibit fast crystallization and promote vitrification. Here we report fast crystal growth in charged colloidal systems under deep supercooling, where liquid diffusion is extremely low. By combining experiments and simulations, we show that this process occurs via wall-induced barrierless ordering consisting of two coupled steps: the step-like advancement of the rough interface that disintegrates frustration, followed by defect repairing inside the newly formed solid phase. The former is a diffusionless collective process, whereas the latter controls crystal quality. We further show that the intrinsic mechanical instability of a disordered glassy state subject to the crystal growth front allows for domino-like fast crystal growth even at ultra-low temperatures. These findings contribute to a deeper understanding of fast crystal growth and may be useful for applications related to vitrification prevention and crystal-quality control.

New Strategy for Optimizing the Properties of Copper Halide Organic-Inorganic Hybrid Lighting-emitting Materials.

Copper(I) halide organic-inorganic hybrid luminescent materials have many advantages, such as diverse structure, facile synthesis, high luminescent efficiency, tunable optical performance, etc., and show a broad application prospect in energy-saving lighting, display and other fields. However, compared with commercial rare-earth-metal-based phosphors, the reported hybrids generally suffer from poor stability and low luminescent efficiency, which are the bottleneck problem of their practical application. With the aim of developing high-performance organic-inorganic hybrid luminescent materials, a new synthesis strategy has been reported. This strategy can systematically design and synthesis copper(I) halide ionic hybrid structures by combining the covalent bonding and ionic bonding between inorganic and organic components into one structure, and use their synergistic effect to optimizing their properties. This design method is expected to develop high-performance organic-inorganic hybrid luminescent materials, promote the in-depth understanding of this field, and provide new ideas for the optimization of other types of hybrid materials.

Revealing the characteristic length of random close packing via critical-like random pinning.

By randomly pinning particles in fluidized states and finding the local energy minima, we form static packings of mono-disperse disks that resemble random close packing, when only nc = 2.6% of the particles are pinned. The packings are isostatic and exhibit typical critical scalings of the jamming transition. The non-triviality of nc is manifested mainly in two aspects. First, nc acts as a critical point, leading to bifurcated critical scalings in its vicinity. The criticality of nc is also demonstrated in the packings of weakly polydisperse disks. Second, nc sets a length scale in agreement with the characteristic length of random close packing. With robust evidence, we show that this agreement is generally true for both mono- and poly-disperse particles and in both two and three dimensions. The randomness inherited from fluidized states by random pinning thus interprets the randomness of random close packing from a unique perspective.

Copper Iodide Cluster Incorporated Luminescent Organic-Inorganic Hybrid Coating Exhibiting Both Corrosion Protection and Antibacterial Properties.

A photoluminescent organic-inorganic hybrid coating is synthesized by the incorporation of an emissive Cu4I4 core into a cross-linked coating network through Cu-P coordination bonds. The hybrid coating not only emits strong yellow emission under UV-light irradiation but also exhibits corrosion protection of the metallic surface. Moreover, bactericidal properties are studied that were first reported for Cu4I4-based hybrid light-emitting materials.

Coordinated Anionic Inorganic Module-An Efficient Approach Towards Highly Efficient Blue-Emitting Copper Halide Ionic Hybrid Structures.

Copper halide based organic-inorganic hybrid semiconductors exhibit great potential as light-emitting materials with excellent structural variety and optical tunability. Among them, copper halide hybrid molecular compounds with discrete inorganic modules are particularly interesting due to their high quantum efficiency. However, synthesizing highly efficient blue-emitting molecular clusters remains challenging. Here, we report a novel and facile strategy for the design and synthesis of highly luminescent copper halide hybrid structures by fabricating coordinated anionic inorganic modules in these ionic species. By using this approach, a family of strongly blue-emitting copper halide hybrid ionic structures has been prepared with high internal quantum yields up to 98 %. Strong luminescence from the combination of ionic and covalent bonds in these compounds make them ideal candidates as alternative, rare-earth-element free light-emitting materials for possible use in optoelectronic devices.

Herbal formula LLKL ameliorates hyperglycaemia, modulates the gut microbiota and regulates the gut-liver axis in Zucker diabetic fatty rats.

LLKL, a new traditional Chinese medicine formula containing Edgeworthia gardneri (Wall.) Meisn., Sibiraea angustata and Crocus sativus L. (saffron), was designed to ameliorate type 2 diabetes mellitus. Despite the therapeutic benefits of LLKL, its underlying mechanisms remain elusive. This study evaluated the LLKL anti-diabetic efficacy and its effect on gut microbiota to elucidate its mechanism of action in Zucker diabetic fatty rats. We found that administration of different LLKL concentrations (4.68, 2.34 and 1.17 g/kg/d) improved several diabetic parameters after a 6-week treatment. Moreover, LLKL modulated gut microbiota dysbiosis, increased the expression of occluding and maintained intestinal epithelial homeostasis, leading to a reduction in LPS, TNF-α and IL-6 levels. Hepatic transcriptomic analysis showed that the Toll-like receptor signalling pathway was markedly enriched by LLKL treatment. RT-qPCR results validated that LLKL treatment decreased the expressions of TLR4, MyD88 and CTSK. Furthermore, a gene set enrichment analysis indicated that LLKL enhanced the insulin signalling pathway and inhibited glycerolipid metabolism and fatty acid metabolism, which were verified by the liver biochemical analysis. These findings demonstrate that LLKL ameliorates hyperglycaemia, modulates the gut microbiota and regulates the gut-liver axis, which might contribute to its anti-diabetic effect.

Animal model of coronary microembolization under transthoracic echocardiographic guidance in rats.

The aim of the study was to develop a model of coronary microembolization (CME) in rats at a lower cost. We developed a novel rat model without thoracotomy and ventilation under the guidance of echocardiography. Rats were sacrificed at 3 h, 24 h and 1 month postoperatively in both the Echo-CME and Open-chest CME groups for the comparison of the modeling accuracy, mortality, cardiopulmonary circulation, pleural adhesion and ventilation-induced lung injury (VILI). Results showed that the coronary microthrombus formed at 3 h and reached its peak at 24 h postoperatively, which included platelet aggregation and fibrin web. The Echo-group increases success rates, decreased mortality, postoperative complications including pleural adhesion, cardiopulmonary dysfunction and VILI postoperatively than the Open-chest group at 1month postoperatively. The ejection fraction of the CME group decreased to 50% and obvious cardiac fibrosis formed at 3 months postoperatively. Our unique surgical method provided a platform to study molecular mechanisms and potential new pathways for CME treatment.

Experimental Test of the Edwards Volume Ensemble for Tapped Granular Packings.

Using x-ray tomography, we experimentally investigate granular packings subject to mechanical tapping for three types of beads with different friction coefficients. We validate the Edwards volume ensemble in these three-dimensional granular systems and establish a granular version of thermodynamic zeroth law. Within the Edwards framework, we also explicitly clarify how friction influences granular statistical mechanics by modifying the density of states, which allows us to determine the entropy as a function of packing fraction and friction. Additionally, we obtain a granular jamming phase diagram based on geometric coordination number and packing fraction.

Prediction of postpartum hemorrhage in pregnant women with immune thrombocytopenia: Development and validation of the MONITOR model in a nationwide multicenter study.

Globally, postpartum hemorrhage (PPH) is the leading cause of maternal death. Women with immune thrombocytopenia (ITP) are at increased risk of developing PPH. Early identification of PPH helps to prevent adverse outcomes, but is underused because clinicians do not have a tool to predict PPH for women with ITP. We therefore conducted a nationwide multicenter retrospective study to develop and validate a prediction model of PPH in patients with ITP. We included 432 pregnant women (677 pregnancies) with primary ITP from 18 academic tertiary centers in China from January 2008 to August 2018. A total of 157 (23.2%) pregnancies experienced PPH. The derivation cohort included 450 pregnancies. For the validation cohort, we included 117 pregnancies in the temporal validation cohort and 110 pregnancies in the geographical validation cohort. We assessed 25 clinical parameters as candidate predictors and used multivariable logistic regression to develop our prediction model. The final model included seven variables and was named MONITOR (maternal complication, WHO bleeding score, antepartum platelet transfusion, placental abnormalities, platelet count, previous uterine surgery, and primiparity). We established an easy-to-use risk heatmap and risk score of PPH based on the seven risk factors. We externally validated this model using both a temporal validation cohort and a geographical validation cohort. The MONITOR model had an AUC of 0.868 (95% CI 0.828-0.909) in internal validation, 0.869 (95% CI 0.802-0.937) in the temporal validation, and 0.811 (95% CI 0.713-0.908) in the geographical validation. Calibration plots demonstrated good agreement between MONITOR-predicted probability and actual observation in both internal validation and external validation. Therefore, we developed and validated a very accurate prediction model for PPH. We hope that the model will contribute to more precise clinical care, decreased adverse outcomes, and better health care resource allocation.

Incorporation of an Emissive Cu4I4 Core into Cross-Linked Networks: An Effective Strategy for Luminescent Organic-Inorganic Hybrid Coatings.

Here, an effective strategy for the preparation of luminescent organic-inorganic hybrid coatings (OIHCs) by the incorporation of an emissive Cu4I4 core into cross-linked coating networks through coordination bonds is reported. The luminescent coatings obtained show potential application in a variety of areas, and such a synthetic strategy of the incorporation of an emissive inorganic core into extended networks has proven to be an efficient method for the synthesis of luminescent OIHCs.

Precondition of sevoflurane upregulates TIMP3 expression to alleviate myocardial ischemia/reperfusion injury.

BACKGROUND: Previous studies have pointed out that sevoflurane (Sef) preconditioning could relieve myocardial ischemia/reperfusion (I/R) injury, but the mechanisms is still unknown. METHODS: C57BL/6 mice model of myocardial I/R injury was established to evaluate the function of Sef. Briefly, Sef was inhaled before I/R operation. The levels of TIMP3, oxidative damage-related factors, and mitogen activated protein kinases (MAPKs) pathway-related factors were measured by qRT-PCR and western blot. Myocardial infarction (MI) area was detected by triphenyl tetrazolium chloride (TTC) staining assay. RESULTS: Sef preconditioning reduced MI area in myocardial I/R injury mice and upregulated TIMP3 expression in myocardial tissues of I/R mice. In addition, downregulation of TIMP3 reversed the alleviating effects of Sef pretreatment on myocardial oxidative damage and inhibited the effect of Sef pretreatment on MAPKs pathway activity. CONCLUSION: Sef preconditioning ameliorated myocardial I/R injury by modulating MAPKs pathway activity via upregulating TIMP3.