Publications by authors named "Wang Yingze"

Introduction: Phosphorus nutrition and hormone concentration both affect crop yield formation. Ascertaining the interaction of phosphorus and GA has a synergistic effect on the grain yield and phosphorus utilization efficiency of oilseed flax in dryland. It is extremely important for improving grain yield and phosphorus utilization efficiency.

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Serine/arginine-rich splicing factor 3 (SRSF3), the smallest member of the SR protein family, serves multiple roles in RNA processing, including splicing, translation, and stability. Recent studies have shown that SRSF3 is implicated in several inflammatory diseases. However, its impact on macrophage inflammation remains unclear.

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Determining the viability of a new drug molecule is a time- and resource-intensive task that makes computer-aided assessments a vital approach to rapid drug discovery. Here we develop a machine learning algorithm, iMiner, that generates novel inhibitor molecules for target proteins by combining deep reinforcement learning with real-time 3D molecular docking using AutoDock Vina, thereby simultaneously creating chemical novelty while constraining molecules for shape and molecular compatibility with target active sites. Moreover, through the use of various types of reward functions, we have introduced novelty in generative tasks for new molecules such as chemical similarity to a target ligand, molecules grown from known protein bound fragments, and creation of molecules that enforce interactions with target residues in the protein active site.

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Serine/arginine-rich splicing factors (SRSFs), part of the serine/arginine-rich (SR) protein family, play a crucial role in precursor RNA splicing. Abnormal expression of SRSFs in tumors can disrupt normal RNA splicing, contributing to tumor progression. Notably, SRSF7 has been found to be upregulated in hepatocellular carcinoma (HCC), yet its specific role and molecular mechanisms in HCC pathogenesis are not fully understood.

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The prognosis for cancer patients has declined dramatically in recent years due to the challenges in treating malignant tumors. Tumor immunotherapy, which includes immune target inhibition and chimeric antigen receptor cell treatment, is currently evolving quickly. Among them, natural killer (NK) cells are gradually becoming another preferred cell immunotherapy after T cell immunotherapy due to their unique killing effects in innate and adaptive immunity.

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Article Synopsis
  • Molecular pretraining uses large amounts of unlabeled data to create molecular representations, making it essential in computational chemistry and drug discovery.
  • The effectiveness of different molecular featurizations (like 1D SMILES strings, 2D graphs, and 3D geometries) in this process hasn't been fully explored yet.
  • The study introduces a new framework called MOCO, which integrates various featurizations to enhance performance in molecular property predictions, showing significant improvements over traditional models that only use one or two types of features.
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A detailed understanding of the coupled thermo-mechanical interaction on the biological tissue irradiated by a pulse laser is essential for the existed therapeutic methods constructed on the photo-thermal effect, which will contribute to the design, characterization and optimization of strategies for delivering better treatment. The aim of present work is to explore the coupled thermo-mechanical behavior of a multi-layered skin tissue with temperature-dependent physical properties under the pulsed laser irradiation. A layered theoretical model involved variable physical parameters with temperature has been proposed firstly according to the generalized theory of thermo-elasticity with dual-phase lag mechanism.

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Many physics-based and machine-learned scoring functions (SFs) used to predict protein-ligand binding free energies have been trained on the PDBBind dataset. However, it is controversial as to whether new SFs are actually improving since the general, refined, and core datasets of PDBBind are cross-contaminated with proteins and ligands with high similarity, and hence they may not perform comparably well in binding prediction of new protein-ligand complexes. In this work we have carefully prepared a cleaned PDBBind data set of non-covalent binders that are split into training, validation, and test datasets to control for data leakage, defined as proteins and ligands with high sequence and structural similarity.

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In the simulation of molecular systems, the underlying force field (FF) model plays an extremely important role in determining the reliability of the simulation. However, the quality of the state-of-the-art molecular force fields is still unsatisfactory in many cases, and the FF parameterization process largely relies on human experience, which is not scalable. To address this issue, we introduce DMFF, an open-source molecular FF development platform based on an automatic differentiation technique.

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DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials known as Deep Potential (DP) models. This package, which was released in 2017, has been widely used in the fields of physics, chemistry, biology, and material science for studying atomistic systems. The current version of DeePMD-kit offers numerous advanced features, such as DeepPot-SE, attention-based and hybrid descriptors, the ability to fit tensile properties, type embedding, model deviation, DP-range correction, DP long range, graphics processing unit support for customized operators, model compression, non-von Neumann molecular dynamics, and improved usability, including documentation, compiled binary packages, graphical user interfaces, and application programming interfaces.

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A proactive mobile network (PMN) is a novel architecture enabling extremely low-latency communication. This architecture employs an open-loop transmission mode that prohibits all real-time control feedback processes and employs virtual cell technology to allocate resources non-exclusively to users. However, such a design also results in significant potential user interference and worsens the communication's reliability.

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Macrophages are important immune effector cells with significant plasticity and heterogeneity in the body immune system, and play an important role in normal physiological conditions and in the process of inflammation. It has been found that macrophage polarization involves a variety of cytokines and is a key link in immune regulation. Targeting macrophages by nanoparticles has a certain impact on the occurrence and development of a variety of diseases.

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Comprehension of thermal behavior underlying the living biological tissues helps successful applications of current heat therapies. The present work is to explore the heat transport properties of irradiated tissue during tis thermal treatment, in which the local thermal non-equilibrium effect as well as temperature-dependent properties arose from complicated anatomical structure, is considered. Based on the generalized dual-phase lag (GDPL) model, a non-linear governing equation of tissue temperature with variable thermal physical properties is proposed.

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Increasing water shortages and environmental pollution from excess chemical nitrogen fertilizer use necessitate the development of irrigation-nitrogen conservation technology in oilseed flax production. Therefore, a two-year split-plot design experiment (2017-2018) was conducted with three types of irrigation (I) levels (no irrigation (I0), irrigation of 1200 m ha (I1200), and 1800 m ha (I1800)) as the main plot and three nitrogen (N) application rates (0 (N0), 60 (N60) and 120 (N120) kg N ha) as the subplot in Northwest China to determine the effects of irrigation and N rates on oilseed flax grain yield, yield components, water-use efficiency (WUE), and N partial factor productivity (NPFP). The results show that I1800 optimized the farmland water storage and water storage efficiency (WSE), which gave rise to greater above-ground biomass.

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Crop production and water productivity may be impacted by diverse crop rotation and management practices. A field study was conducted from 2017-2020 in the Loess Plateau to evaluate the effects of crop rotation sequences on pre-planting and post-harvest soil water storage (SWS), annualized crop yield, water use, and water productivity. Crops in rotation included oil flax ( L.

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Interferon (IFN)-α is a cytokine that exhibits a wide range of biological activities and is used in various cancer treatments. It regulates numerous genes that serve roles in antiviral, antiproliferative and proapoptotic activities. For decades, one of the main aspects of clinical oncology has been the development of anticancer therapeutics that promote the effective elimination of cancer cells via apoptosis.

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Introduction: The consumption of large amounts of ethanol can directly lead to acute gastric mucosal bleeding, edema, and erosion, while long-term drinking has been associated with gastric ulcers. Previous research has demonstrated that Har Gabur, a traditional Mongolian medicine, alleviates gastric ulcers through the physical adsorption of its carbon components. It is well known that the immune response has an important role in gastric ulceration.

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Serine threonine tyrosine kinase 1 (STYK1)/novel oncogene with kinase domain (NOK) has been demonstrated to promote cell carcinogenesis and tumorigenesis, as well as to strengthen cellular aerobic glycolysis, which is considered to be a defining hallmark of cancer. As the carriers of glucose into cells, glucose transporters (GLUTs) are important participants in cellular glucose metabolism and even tumorigenesis. However, to the best of our knowledge, the role of GLUTs in biological events caused by STYK1/NOK has not yet been reported.

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The gonadal development; edible tissue ratio; and proximate, fatty acid, and free amino acid composition were examined and compared among Eriocheir sinensis samples from four sources. The gonadosomatic index (GSI) of Heilongjiang (HLJ) crabs was significantly higher than that of the other crabs from September to October (P < 0.05).

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RNA interference (RNAi) is an emerging therapeutic modality for tumors. However, lack of a safe and efficient small interfering RNA (siRNA) delivery system limits its clinical application. Here, we report a bioreducible and less-cationic siRNA delivery carrier by conjugating Zn(II)-dipicolylamine complexes (Zn-DPA) onto hyaluronic acid (HA) via a redox-sensitive disulfide (-SS-) linker.

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Serine/arginine-rich (SR) proteins are a family of important splicing factors, which are involved in multiple aspects of RNA processing, including splicing, mRNA nuclear export, mRNA stability and translation. Previous studies have identified a number of SR proteins that exhibit abnormal expression in various tumor types. In the present study, the expression and function of serine/arginine-rich splicing factor 7 (SRSF7) were investigated in colon and lung cancer.

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The drug camptothecin has a wide range of antitumor effects in cancers including gastric cancer, rectal and colon cancer, liver cancer, and lung cancer. Camptothecin-based drugs inhibit topoisomerase 1 (Topo 1), leading to destruction of DNA, and are currently being used as important chemotherapeutic agents in clinical antitumor treatment. However, the main obstacle associated with cancer therapy is represented by systemic toxicity of conventional anticancer drugs and their low accumulation at the tumor site.

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The combination of antiangiogenesis with chemotherapy has become a promising multi-modal combinational therapy for solid tumor. However, hypoxia-mediated resistance and the subsequent treatment failure associated with antiangiogenesis therapy have limited the maximization of this promising approach. It remains a major challenge to balance the effect of angiogenesis and the accumulation of the cytotoxic drug within the tumor microenvironment.

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Aims: [Gd@C(82)(OH)(22)](n) is a new type of nanoparticle with potent antineoplastic activity and low toxicity compared with traditional drugs. In this study, we explored, for the first time, the effect of [Gd@C(82)(OH)(22)](n) on the cell cycle using human breast cancer MCF-7 and human umbilical vein endothelial ECV304 cell lines by flow cytometry.

Methods: Cell viability was assessed through CCK-8 assay, and MCF-7 tumor-bearing mice were examined after 2 weeks of treatment with [Gd@C(82)(OH)(22)](n).

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Multi-hydroxylated endohedral metallofullerenol [Gd@C(82)(OH)(22)](n) nanoparticles possess the general physico-chemical characteristics of most nanoparticles. They also exhibit uniquely low toxicity and antineoplastic efficacy. In the current study, the molecular mechanisms and epigenetic characteristics of the antineoplastic action of these nanoparticles are explored.

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