Natural aromatic compounds as scaffolds to develop selective G-quadruplex ligands. From previously reported berberine derivatives to new palmatine analogues

In this paper, the selective interactions of synthetic derivatives of two natural compounds, berberine and palmatine,with DNA G-quadruplex structureswere reported. In particular, the previous works on this subject concerning berberine were further presented and discussed, whereas the results concerning palmatine are presented here for the first time. In detail, these palmatine derivatives were developed by inserting seven different small peptide basic chains, giving several new compounds that have never been reported before. The preliminary studies of the interactions of these compounds with various G-quadruplex-forming sequences were carried out by means of various structural and biochemical techniques, which showed that the presence of suitable side chains is very useful for improving the interaction of the ligands with G-quadruplex structures. Thus, these new palmatine derivatives might act as potential anticancer drugs

Learning from Heterogeneity: A Dynamic Learning Framework for Hypergraphs

Graph neural network (GNN) has gained increasing popularity in recent years owing to its capability and flexibility in modeling complex graph structure data. Among all graph learning methods, hypergraph learning is a technique for exploring the implicit higher-order correlations when training the embedding space of the graph. In this paper, we propose a hypergraph learning framework named LFH that is capable of dynamic hyperedge construction and attentive embedding update utilizing the heterogeneity attributes of the graph. Specifically, in our framework, the high-quality features are first generated by the pairwise fusion strategy that utilizes explicit graph structure information when generating initial node embedding. Afterwards, a hypergraph is constructed through the dynamic grouping of implicit hyperedges, followed by the type-specific hypergraph learning process. To evaluate the effectiveness of our proposed framework, we conduct comprehensive experiments on several popular datasets with eleven state-of-the-art models on both node classification and link prediction tasks, which fall into categories of homogeneous pairwise graph learning, heterogeneous pairwise graph learning, and hypergraph learning. The experiment results demonstrate a significant performance gain (average 12.5% in node classification and 13.3% in link prediction) compared with recent state-of-the-art methods

Exploiting Spatial-temporal Data for Sleep Stage Classification via Hypergraph Learning

Sleep stage classification is crucial for detecting patients' health conditions. Existing models, which mainly use Convolutional Neural Networks (CNN) for modelling Euclidean data and Graph Convolution Networks (GNN) for modelling non-Euclidean data, are unable to consider the heterogeneity and interactivity of multimodal data as well as the spatial-temporal correlation simultaneously, which hinders a further improvement of classification performance. In this paper, we propose a dynamic learning framework STHL, which introduces hypergraph to encode spatial-temporal data for sleep stage classification. Hypergraphs can construct multi-modal/multi-type data instead of using simple pairwise between two subjects. STHL creates spatial and temporal hyperedges separately to build node correlations, then it conducts type-specific hypergraph learning process to encode the attributes into the embedding space. Extensive experiments show that our proposed STHL outperforms the state-of-the-art models in sleep stage classification tasks

Energy Evolution and Damage Mechanism of Fractured Sandstone with Different Angles

To explore the influence of crack angle on the mechanical properties, energy evolution, and damage evolution of sandstone, uniaxial loading tests were conducted on sandstones with different crack angles. Through the stress–strain curve, the influence of the crack angle on the mechanical properties was analyzed. Based on energy theories and principles, the influence of crack angle on the energy conversion mechanism was analyzed. Based on crack angle and dissipated energy, a damage model considering the initial damage to the fractured sandstones was established. The following conclusions were drawn: (1) The strength and elastic modulus of sandstone decrease with an increase in crack angle, and Poisson’s ratio increases with an increase in crack angle; prefabricated cracks affect the crack initiation position, and accelerate the formation of fracture surfaces. (2) The stress–strain curve was divided into compaction stage, elastic stage, yield stage, and failure stage. The larger the crack angle, the longer the yield stage and the shorter the failure stage. (3) At the peak point, the elastic energy, dissipated energy, and input energy of fractured sandstone always decrease with an increase in crack angle; the energy consumption ratio increases with an increase in crack angle; and the energy storage ratio decreases with an increase in crack angle. (4) The damage variable shows a trend of slow accumulation–steady accumulation–rapid accumulation; the crack angle affects the initial damage of the specimen, and the dissipated energy affects the variation trend of the damage variable

Energy Evolution and Damage Mechanism of Fractured Sandstone with Different Angles

To explore the influence of crack angle on the mechanical properties, energy evolution, and damage evolution of sandstone, uniaxial loading tests were conducted on sandstones with different crack angles. Through the stress–strain curve, the influence of the crack angle on the mechanical properties was analyzed. Based on energy theories and principles, the influence of crack angle on the energy conversion mechanism was analyzed. Based on crack angle and dissipated energy, a damage model considering the initial damage to the fractured sandstones was established. The following conclusions were drawn: (1) The strength and elastic modulus of sandstone decrease with an increase in crack angle, and Poisson’s ratio increases with an increase in crack angle; prefabricated cracks affect the crack initiation position, and accelerate the formation of fracture surfaces. (2) The stress–strain curve was divided into compaction stage, elastic stage, yield stage, and failure stage. The larger the crack angle, the longer the yield stage and the shorter the failure stage. (3) At the peak point, the elastic energy, dissipated energy, and input energy of fractured sandstone always decrease with an increase in crack angle; the energy consumption ratio increases with an increase in crack angle; and the energy storage ratio decreases with an increase in crack angle. (4) The damage variable shows a trend of slow accumulation–steady accumulation–rapid accumulation; the crack angle affects the initial damage of the specimen, and the dissipated energy affects the variation trend of the damage variable

Study on Characteristic Strength and Constitutive Model of Red Sandstone under Hydraulic Coupling

The newly built shaft in the western region needs to pass through the deep Cretaceous stratum, where the pores and fissures are developed, the cementation ability is poor, and the surrounding rock is rich in water. Under the coupling effect of the stress field and seepage field, the surrounding rock is easy to deteriorate and loses stability. The hydraulic coupling test of Cretaceous red sandstone was carried out by using the TAW-2000 rock mechanics testing system, and the characteristic strength evolution law of red sandstone was analyzed; Mohr’s circle and strength envelope were obtained by the M–C criterion, and the influence mechanism seepage pressure on red sandstone was explored; and combined with the effective stress principle and M–C strength criterion, a constitutive model under hydraulic coupling was established. Confining pressure limits the development of cracks and strengthens the mechanical properties. The results revealed that red sandstone has the characteristics of low less clay, loose particles, and weak cementation capacity; under the action of water pressure, the cement between particles disintegrates and loses the cementation strength, resulting in a significant decrease in cohesion, and the loss of cementation strength is the internal reason for the softening of red sandstone. The constitutive model based on the effective principle and M–C criterion can better reflect the mechanical behavior of red sandstone under hydraulic coupling. This paper provides a research basis for understanding the microscopic characteristics and hydraulic coupling characteristics of Cretaceous weakly cemented sandstone

Experimental Study of the Failure Mechanism of the Anchorage Interface under Different Surrounding Rock Strengths and Ambient Temperatures

In order to study the anchoring instability mechanism of surrounding rock in deep roadway, the failure mechanism of the bolt-anchoring agent interface was studied by simulating different strength rock mass and ground temperature environment, using C20, C40, and C60 strength concrete and steel pipe to simulate different surrounding rock strength environments. Indoor pull-out tests were carried out to study the pull-out load displacement relationship, ultimate pull-out force, residual anchoring force, the distribution law of axial stress and tangential stress along the bar, and the energy consumption value of drawing failure at 20, 50, and 70°C. The test results show that, with the decrease of surrounding rock strength or the increase of ambient temperature, the pull-out force, residual anchoring force, and energy consumption value of anchorage interface gradually decrease; under different axial forces, the axial force distribution of the rod body decreases exponentially from the anchoring end to the opposite end; and the shear stress transfers to the deep part of the anchor body with the increase of the load. According to the failure phenomenon of the specimen, the failure modes of the bolt bolt-anchorage agent interface can be divided into shear slip mode and shear expansion slip mode. The shear expansion slip formula of anchorage interface is derived. Using high-strength and temperature-resistant resin anchoring agent for comparative test, the rationality of the mechanism analysis is proved, which provides more clear guidance for the construction of anchor support