326 research outputs found

    Existence and uniqueness of solutions for singular fourth-order boundary value problems

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    AbstractBy mixed monotone method, the existence and uniqueness are established for singular fourth-order boundary value problems. The theorems obtained are very general and complement previous known results

    Teaching reform of safety engineering specialty based on Virtual Reality Technology

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    with the continuous development of science and technology, virtual reality technology arises at the historic moment and is widely used in the fi eld of professional education. It shows great vitality in enriching teaching forms and improving teaching eff ectiveness, which also provides good development enlightenment for the teaching of safety engineering in Colleges and universities. Professional teachers should be based on the educational background of the information age, face the characteristics and connotation of virtual reality technology, and do a good job of its infi ltration in professional theory and practice courses, so as to ensure the eff ectiveness of education, and lay a scientifi c and technological keynote for the improvement of students’ professional quality and comprehensive ability. In view of this, this paper analyzes the teaching reform of safety engineering specialty based on virtual reality technology in detail, hoping to provide some valuable references for teachers and friends

    Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction

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    We study property prediction for crystal materials. A crystal structure consists of a minimal unit cell that is repeated infinitely in 3D space. How to accurately represent such repetitive structures in machine learning models remains unresolved. Current methods construct graphs by establishing edges only between nearby nodes, thereby failing to faithfully capture infinite repeating patterns and distant interatomic interactions. In this work, we propose several innovations to overcome these limitations. First, we propose to model physics-principled interatomic potentials directly instead of only using distances as in many existing methods. These potentials include the Coulomb potential, London dispersion potential, and Pauli repulsion potential. Second, we model the complete set of potentials among all atoms, instead of only between nearby atoms as in existing methods. This is enabled by our approximations of infinite potential summations with provable error bounds. We further develop efficient algorithms to compute the approximations. Finally, we propose to incorporate our computations of complete interatomic potentials into message passing neural networks for representation learning. We perform experiments on the JARVIS and Materials Project benchmarks for evaluation. Results show that the use of interatomic potentials and complete interatomic potentials leads to consistent performance improvements with reasonable computational costs. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS)

    Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study

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    Exploring multistep cascade reactions triggered by C–H activation are recognized as appealing, yet challenging. Herein, we disclose a Rh(III)-catalyzed domino C–H coupling of N-carbamoyl indoles and 4-hydroxy-2-alkynoates for the streamlined assembly of highly functionalized furan-2(5H)-ones in which the carbamoyl-directing group (DG) is given a dual role of an auxiliary group and a migrating acylating reagent via the cleavage of stable C–N bonds at room temperature. More importantly, the obtained furan-2(5H)-one skeleton could be further functionalized under air in situ via C5–H hydroxylation by simply switching the solvent or additive, providing fully substituted furan-2(5H)-ones with the installation of an alcohol-based C5 quaternary carbon center. Detailed experimental studies and density functional theory calculations reveal that a Rh(III)-mediated tandem C–H activation/alkyne insertion/DG migration/lactonization accounts for the developed transformation to achieve high functionalities with the observed exclusive selectivity. The potential biological application of the obtained furan-2(5H)-ones as a class of potent PPARγ ligands further highlights the synthetic utility of the developed methodology. This protocol is endowed with several salient features including efficient multistep cascade triggered by C–H activation, excellent chemo-, regio-, and stereoselectivity, high bond-forming efficiency (e.g., two C–C and two C–O bonds), solvent- or additive-controlled product selectivity, good functional-group compatibility, and mild redox-neutral conditions

    Real-Time Neural Signals of Disorder and Order Perception

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    Order and disorder are prevalent in everyday life, yet little is known about the neural real-time processing that occurs during the perception of disorder relative to order. In the present study, from a cognitive perspective, by adopting the ERP method, we aimed to examine the elicited real-time neural signals of disorder and order perception when participants processed physical environmental and basic visual disorder and order pictures in an irrelevant red or green rectangle detection task, and we attempted to test the hypothesis of cognitive disfluency in disorder perception. Generally, we observed that at each measured time interval, the ERPs elicited by order stimuli were more positive (less negative) in amplitude than those elicited by disorder stimuli at the frontal electrodes (represented by F7/F8, FT7/FT8, Fz, and FCz), whereas at the posterior electrodes (represented by P7/P8, PO7/PO8, Pz, and POz), the opposite was true. These data reveal for the first time the neural underpinnings of disorder and order perception, extending our understanding of the nature of disorder and order. This study also contributes to the cognitive fluency literature and indirectly expands the research on disorder and order stimuli in cognitive fluency

    Supplementation of hyaluronic acid injections with vitamin D improve knee function by attenuating synovial fluid oxidative stress in osteoarthritis patients with vitamin D insufficiency

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    ObjectivesThere is still controversy about the effect of vitamin D supplementation on osteoarthritis (OA). The purpose of this study was to investigate the effects of vitamin D supplementation with Hyaluronic acid (HA) injection on OA.MethodsWe investigated serum vitamin D levels and oxidative stress (OS) in synovial fluid from patients with OA who underwent total knee arthroplasty (grade IV, n = 24) and HA injection (grade II and III, n = 40). The effects of HA injection with or without oral vitamin D supplementation on synovial fluid OS and knee pain and function were then further investigated. Finally, patients underwent HA injection were divided into two groups according to vitamin D levels (vitamin D < or > 30 ng/ml), and the efficacy of the two groups were compared.ResultsThe results showed that the levels of glutathione peroxidase (GSH-PX) (P < 0.05) in the synovial fluid were lower in patients with stage IV OA than that in patients with stage II-III OA, while the levels of malondialdehyde (MDA) (P < 0.05) and lactate dehydrogenase (LDH) (P < 0.01) were significantly higher. Moreover, we found that age, BMI and vitamin D levels were significantly associated with the levels of oxidants and/or antioxidants in synovial fluid, and that vitamin D was significantly negatively correlated with BMI (R = −0.3527, p = 0.0043). Supplementation of HA injections with vitamin D significantly reduced the OS status in synovial fluid, attenuated knee pain and improved knee function in OA patients with vitamin D insufficiency.ConclusionWe conclude that maintenance of vitamin D sufficiency may be beneficial for the treatment of OA by improving OS in synovial fluid

    Calculation of Sound Insulation for Hybrid CLT Fabricated with Lumber and LVL and comparison with experimental data.

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    The insulated predictions were carried out for LVL, CLT and HCLT in order to evaluate their sound properties, in which the theoretical value of sound insulation was predicted by regarding the substances in wood cell wall as equivalence to specific medium based on Biot model, and the wood anatomical characteristics, such as the length and diameter of tracheid, diameter of pit, and porosity, were taken into account for determining the equivalent density and bulk modulus of elasticity of wood cell wall. By comparing the tested and predicted values of sound insulation, the conclusion were drawn as follows: the predicted values of sound insulation were significantly correlated with the tested values for LVL, CLT and HCLT. As for Masson pine and Southern pine, the adjacent of earlywood and latewood was considered as sandwich structure for the calculation of sound insulation. Meanwhile, the bonding interface was creatively introduced to improve the accuracy of sound insulation prediction. The transfer function involved in sound insulation prediction provide an effective method to characterize the sound insulation volume of wood composite in construction and decoration areas
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