Network pharmacological prediction of the mechanism of action of Shen-Zhu-Lian-Bai Decoction in the treatment of ulcerative colitis.

The incidence of ulcerative colitis (UC) is on the rise globally. Shen-Zhu-Lian-Bai decoction (SZLBD) can relieve the clinical symptoms of UC. This study aimed to investigate the underlying molecular mechanism of SZLBD in the treatment of UC. The key treatment targets of SZLBD for UC were obtained based on the online database, and combined with the STRING database and Cytoscape 3.7.2 software, PPI network was constructed and visualized. The GEO database was utilized to validate the expression levels of core targets in UC. Metascape database GO functional annotation and KEGG pathway enrichment analysis. Molecular docking technology was used to verify the docking of core compounds with key targets. RT-qPCR and Western Blot were used to detect the expression of key targets in HCoEpiC cells for verification. After screening, 67 targets shared by SZLBD and UC were obtained. It is predicted that IL-6, IL-1B, and AKT1 might be the key targets of SZLBD in the treatment of UC. Quercetin was the main active ingredient. GEO results showed that the expression levels of IL-6, IL-1B and AKT1 were higher in the UC group compared to the control group. GO and KEGG analyses showed that these targets were related to apoptosis and inflammation. The results of molecular docking demonstrated that the AKT1 gene, a key target of quercetin, had the highest affinity of -9.2 kcal/mol. Cell experiments found that quercetin could affect the expression of IL-6, IL-1B, and AKT1. This study preliminarily explored and verified the mechanism of action of SZLBD in the treatment of UC, which provides a theoretical basis for subsequent in vivo mechanism studies.

Hole doping induced ferromagnetism and Dzyaloshinskii-Moriya interaction in the two-dimensional group-IVA oxides.

Based on the first-principles calculations, we examine the effect of hole doping on the ferromagnetism and Dzyaloshinskii-Moriya interaction (DMI) for PbSnO2, SnO2and GeO2monolayers. The nonmagnetic to ferromagnetic transition and the DMI can emerge simultaneously in the three two-dimensional IVA oxides. By increasing the hole doping concentration, we find the ferromagnetism can be strengthened for the three oxides. Due to different inversion symmetry breaking, isotropic DMI is found in PbSnO2, whereas anisotropic DMI presents in SnO2and GeO2. More appealingly, for PbSnO2with different hole concentrations, DMI can induce a variety of topological spin textures. Interestingly, a peculiar feature of synchronously switch of magnetic easy axis and DMI chirality upon hole doping is found in PbSnO2. Hence, Néel-type skyrmions can be tailored via changing hole density in PbSnO2. Furthermore, we demonstrate that both SnO2and GeO2.with different hole concentrations can host antiskyrmions or antibimerons (in-plane antiskyrmions). Our findings demonstrate the presence and tunability of topological chiral structures in p-type magnets and open up new possibility for spintronics.

Voltage-Controlled Dzyaloshinskii-Moriya Interaction Torque Switching of Perpendicular Magnetization.

Magnetization switching is the most important operation in spintronic devices. In modern nonvolatile magnetic random-access memory (MRAM), it is usually realized by spin-transfer torque (STT) or spin-orbit torque (SOT). However, both STT and SOT MRAM require current to drive magnetization switching, which will cause Joule heating. Here, we report an alternative mechanism, Dzyaloshinskii-Moriya interaction (DMI) torque, that can realize magnetization switching fully controlled by voltage pulses. We find that a consequential voltage-controlled reversal of DMI chirality in multiferroics can lead to continued expansion of a skyrmion thanks to the DMI torque. Enough DMI torque will eventually make the skyrmion burst into a quasiuniform ferromagnetic state with reversed magnetization, thus realizing the switching of a perpendicular magnet. The discovery is demonstrated in two-dimensional multiferroics, CuCrP_{2}Se_{6} and CrN, using first-principles calculations and micromagnetic simulations. As an example, we applied the DMI torque for simulating leaky-integrate-fire functionality of biological neurons. Our discovery of DMI torque switching of perpendicular magnetization provides tremendous potential toward magnetic-field-free and current-free spintronic devices, and neuromorphic computing as well.

Gradient-Induced Dzyaloshinskii-Moriya Interaction.

The Dzyaloshinskii-Moriya interaction (DMI) that arises in the magnetic systems with broken inversion symmetry plays an essential role in topological spintronics. Here, by means of atomistic spin calculations, we study an intriguing type of DMI (g-DMI) that emerges in the films with composition gradient. We show that both the strength and chirality of g-DMI can be controlled by the composition gradient even in the disordered system. The layer-resolved analysis of g-DMI unveils its additive nature inside the bulk layers and clarifies the linear thickness dependence of g-DMI observed in experiments. Furthermore, we demonstrate the g-DMI-induced chiral magnetic structures, such as spin spirals and skyrmions, and the g-DMI driven field-free spin-orbit torque (SOT) switching, both of which are crucial toward practical device application. These results elucidate the underlying mechanisms of g-DMI and open up a new way to engineer the topological magnetic textures.

Diagnostic accuracy of ≥ 16-slice spiral computed tomography for local staging of colon cancer: A systematic review and meta-analysis.

BACKGROUND: Colorectal cancer is one of the most common cancers worldwide with high mortality and is classified as a single entity, although colon cancer and rectal cancer have largely different diagnoses, treatments, surgical methods, and recurrence rates. ≥ 16-slice spiral computed tomography (SCT) is mostly applied to detect the local stage of colon cancer; however, its diagnostic accuracy and whether it is conducive to distinguishing between high-risk and low-risk colon cancer are unclear. AIM: To systematically review the diagnostic accuracy of ≥ 16-slice SCT for local staging of colon cancer. METHODS: Based on the PubMed, EMBASE, Cochrane Library, and Web of Science databases, computers were used to search the literature from the establishment of the database to April 2021, and the results of the diagnostic tests on ≥ 16-slice SCT for local staging of colon cancer were collected according to the inclusion criteria. The data were then extracted and assessed on the basis of the Quality Assessment Checklist of the Institute of Economics of Canada, Reference Citation Analysis (https://www.referencecitationanalysis.com/). Afterward, a meta-analysis was performed using the statistical software Meta-disc 14.0 and Stata 15.0. RESULTS: Eleven studies that provided data on 1613 subjects with computed tomography diagnostic tests were included in this study. Meta-analysis revealed that the pooled sensitivity, pooled specificity, pooled negative likelihood ratio (LR), pooled diagnostic odds ratio, and area under the fitted receiver operating characteristic (ROC) curve of ≥ 16-slice SCT for colon cancer T staging were 0.67 (95%CI: 0.65-0.70), 0.81 (95%CI: 0.80-0.83), 4.13 (95%CI: 2.66-6.41), 0.39 (95%CI: 0.31-0.49), 10.81 (95%CI: 7.33-15.94), and 0.829, respectively, while the specificity, negative LR, diagnostic odds ratio, and area under the fitted ROC curve of ≥ 16-slice SCT for N staging of colon cancer were 0.54 (95%CI: 0.49-0.59), 0.74 (95%CI: 0.70-0.77), 1.92 (95%CI: 1.36-2.70), 0.67 (95%CI: 0.51-0.87), 3.74 (95%CI: 1.76-7.94), and 0.829 respectively. The sensitivity and specificity of ≥ 16-slice SCT for colon cancer T staging were acceptable, while the sensitivity for colon cancer N staging was relatively low, though its specificity was acceptable. CONCLUSION: ≥ 16-slice SCT for local staging of colon cancer has good diagnostic value; however, the accuracy needs to be confirmed by further clinical practice.

Ginsenoside Rk2 Protects against Ulcerative Colitis via Inactivating ERK/MEK Pathway by SIRT1.

BACKGROUND: Chinese traditional medicine is widely used in the treatment of ulcerative colitis (UC). Ginsenoside Rk2 is a newly discovered dammarane triterpenoid saponin isolated from ginseng. Our study aimed to investigate the effects of Ginsenoside Rk2 on UC. METHODS: Human clones of colorectal adenocarcinoma Caco-2 cells and human intestinal epithelial THP-1 cells were co-cultured to establish a UC model in vitro. Cell viability and apoptosis were analyzed by cell counting kit 8 (CCK-8) and flow cytometry assay, respectively. Inflammatory cytokines' mRNA levels were measured by real-time quantitative polymerase chain reaction (RT-qPCR). Western blot was applied to examine the protein expression of apoptosis-associated proteins and the activation of the extracellular signal-regulated kinase (ERK)/mitogen-activated protein kinase (MEK) pathway. Furthermore, fisetin, an ERK kinase activator, was used to carry out rescue experiment. SRT1720, an activator of SIRT1, was applied to increase the SIRT1 protein levels while SIRT1 inhibitor nicotinamide (NAM) exerted the opposite effect. RESULTS: Ginsenoside Rk2 promoted cell viability, suppressed cell apoptosis, and reduced the release of pro-inflammatory cytokines including interleukin (IL)-1ß, IL-6, IL-10, and tumor necrosis factor-α (TNF-α) of HT-29 cells in UC model in a concentration-dependent manner. Meanwhile, the inhibitory effects of Ginsenoside Rk2 on the ERK/MEK pathway strengthened with the increase of concentration, and was verified by fisetin application. Furthermore, the upregulation of SIRT1 induced by Ginsenoside Rk2 prompted dephosphorylation of ERK and MEK to attenuate ERK/MEK pathway activation and reduced inflammatory progress, which was confirmed by SRT1720 as well as NAM. CONCLUSIONS: Ginsenoside Rk2 inactivated ERK/MEK pathway by regulating SIRT1 to restore the cellular function of human intestinal epithelial THP-1 cells. Therefore, Ginsenoside Rk2 may be effective in the treatment of UC.

Rashba-Edelstein Effect in the h-BN Van Der Waals Interface for Magnetization Switching.

Van der Waals materials are attracting great attention in the field of spintronics due to their novel physical properties. For example, they are utilized as spin-current generating materials in spin-orbit torque (SOT) devices, which offers an electrical way to control the magnetic state and is promising for future low-power electronics. However, SOTs have mostly been demonstrated in vdW materials with strong spin-orbit coupling (SOC). Here, the observation of a current-induced SOT in the h-BN/SrRuO3 bilayer structure is reported, where the vdW material (h-BN) is an insulator with negligible SOC. Importantly, this SOT is strong enough to induce the switching of the perpendicular magnetization in SrRuO3 . First-principles calculations suggest a giant Rashba effect at the interface between vdW material and SrRuO3 (110)pc thin film, which leads to the observed SOT based on a simplified tight-binding model. Furthermore, it is demonstrated that the current-induced magnetization switching can be modulated by the electric field. This study paves the way for exploring the current-induced SOT and magnetization switching by integrating vdW materials with ferromagnets.

Quantifying the Dzyaloshinskii-Moriya Interaction Induced by the Bulk Magnetic Asymmetry.

A broken interfacial inversion symmetry in ultrathin ferromagnet/heavy metal (FM/HM) bilayers is generally believed to be a prerequisite for accommodating the Dzyaloshinskii-Moriya interaction (DMI) and for stabilizing chiral spin textures. In these bilayers, the strength of the DMI decays as the thickness of the FM layer increases and vanishes around a few nanometers. In the present study, through synthesizing relatively thick films of compositions CoPt or FePt, CoCu or FeCu, FeGd and FeNi, contributions to DMI from the composition gradient-induced bulk magnetic asymmetry (BMA) and spin-orbit coupling (SOC) are systematically examined. Using Brillouin light scattering spectroscopy, both the sign and amplitude of DMI in films with controllable direction and strength of BMA, in the presence and absence of SOC, are experimentally studied. In particular, we show that a sizable amplitude of DMI (±0.15 mJ/m^{2}) can be realized in CoPt or FePt films with BMA and strong SOC, whereas negligible DMI strengths are observed in other thick films with BMA but without significant SOC. The pivotal roles of BMA and SOC are further examined based on the three-site Fert-Lévy model and first-principles calculations. It is expected that our findings may help to further understand the origin of chiral magnetism and to design novel noncollinear spin textures.

Anisotropic Dzyaloshinskii-Moriya Interaction and Topological Magnetism in Two-Dimensional Magnets Protected by P4Ì m2 Crystal Symmetry.

As a fundamental magnetic parameter, Dzyaloshinskii-Moriya interaction (DMI), has gained a great deal of attention in the last two decades due to its critical role in formation of magnetic skyrmions. Recent discoveries of two-dimensional (2D) van der Waals (vdW) magnets has also gained a great deal of attention due to appealing physical properties, such as gate tunability, flexibility, and miniaturization. Intensive studies have shown that isotropic DMI stabilizes ferromagnetic (FM) topological spin textures in 2D magnets or their corresponding heterostructures. However, the investigation of anisotropic DMI and antiferromagnetic (AFM) topological spin configurations remains elusive. Here, we propose and demonstrate a family of 2D magnets with P4m2 symmetry-protected anisotropic DMI. More interestingly, various topological spin configurations, including FM/AFM antiskyrmion and AFM vortex-antivortex pair, emerge in this family. These results give a general method to design anisotropic DMI and pave the way toward topological magnetism in 2D materials using crystal symmetry.

MiRNA-182-5p aggravates experimental ulcerative colitis via sponging Claudin-2.

Tight junction proteins play crucial roles in maintaining the integrity of intestinal mucosal barrier. MiRNA-182-5p is capable of targeting claudin-2 which is one of the vital tight junction proteins and the effect and mechanism of miRNA-182-5p was explored here in the DSS-induced colitis model. The pathological conditions were evaluated via hematoxylin and eosin staining. The gene expression level was assessed via PCR. Quantitative immunohistochemistry analysis was performed for the measurement of claudin-2. microRNA.org online tool was used for target gene prediction. Luciferase reporter assay and RNA pull-down assay were performed to detect the target of miRNA-182-5p. The inflammatory and oxidative stress level were measured using corresponding kits. MiRNA-182-5p was highly expressed in colitis model and miRNA-182-5p inhibitor exerted protective effects on colitis induced by DSS in mice. The protective effects includded improvement of pathological changes, increases in anti-inflammation and anti-oxidative genes, and up-regulation of TGF-ß1. Claudin-2 mRNA was predicted as the target of miRNA-182-5p, which was validated via luciferase reporter assay and RNA pull-down assay. Claudin-2 overexpression was found in miRNA-182-5p inhibitor group. Consistent with the role of miRNA-182-5p, claudin-2 overexpression also exerted protective effects on DSS-induced colitis in mice. Inhibition of miRNA-182-5p exerted protective effects on colitis via targeting and upregulating claudin-2. The findings in study provide a new therapeutic strategy for colitis treatment and lay the foundation for future study.

Rashba-Type Dzyaloshinskii-Moriya Interaction, Perpendicular Magnetic Anisotropy, and Skyrmion States at 2D Materials/Co Interfaces.

We report a significant Dzyaloshinskii-Moriya interaction (DMI) and perpendicular magnetic anisotropy (PMA) at interfaces comprising hexagonal boron nitride (h-BN) and Co. By comparing the behavior of these phenomena at graphene/Co and h-BN/Co interfaces, it is found that the DMI in the latter increases as a function of Co thickness and beyond three monolayers stabilizes with 1 order of magnitude larger values compared to those at graphene/Co, where the DMI shows opposite decreasing behavior. Meanwhile, the PMA for both systems shows similar trends with larger values for graphene/Co and no significant variations for all thickness ranges of Co. Furthermore, using micromagnetic simulations we demonstrate that such significant DMI and PMA values remaining stable over a large range of Co thickness give rise to the formation of skyrmions with small applied external fields. These findings open up further possibilities toward integrating two-dimensional (2D) materials in spin-orbitronics devices.

[Skin needle embedding for obese impaired glucose tolerance].

OBJECTIVE: To explore the effect difference between the skin needle embedding therapy and western medication for obese impaired glucose tolerance (IGT). METHODS: A total of 300 cases of obese IGT were assigned into an embedding group and a western medication group by random number table, 150 cases in each one. Standardized diagnosis and treatment programs were applied to reduce blood pressure, lipid, weight, and exercise and scientific diet management were used. 0.25 g oral deltamine was prescribed three times a day in the western medication group. Thumb-tack needle for subcutaneous embedding was at bilateral Weiwanxiashu (EX-B 3), Ganshu (BL 18), Pishu (BL 20), Tianshu (ST 25) and Zusanli (ST 36) for 36 to 48 hours on Monday and Thursday, 3 months as a session, with other acupoints differentiated. All the treatment was given for 2 years. The indexes included the blood sugar indexes [fasting plasma glucose (FPG), 2 h postprandial blood glucose (2 h PG), glycosylated hemoglobin (HbA1c)], incidence of hypoglycemia, obesity indexes [waist circumference, body mass index (BMI)], blood lipid indexes [serum total cholesterol (TC), serum triacylglycerol (TG), low density lipoprotein cholesterol (LDL-C), high density lipoprotein cholesterol (HDL-C)], liver and kidney function indexes [serum creatinine (Scr), blood urea nitrogen (BUN) and blood uric acid (UA), glutamic-pyruvic transaminase (ALT)] and TCM symptom score. The effects and the incidence of type 2 diabetes were evaluated. RESULTS: After treatment, 2 h PG and HbA1c reduced in the two groups (P<0.01, P<0.05) and the results in the embedding group were better (both P<0.05). After treatment, the incidence of hypoglycemia in the embedding group was 0.7% (1/150), and that in the western medication group was 1.3% (2/150), without statistical difference (P>0.05). After treatment, waist circumference and BMI reduced in the two groups (both P<0.01) and the improvements in the embedding group were better (both P<0.05). TC, TG and LDL-C after treatment were lower than those before treatment, and HDL-C were higher in the two groups (all P<0.05), without statistical different values before and after treatment between the two groups (all P>0.05). Scr, BUN, UA and ALT before and after treatment in the two groups had no statistical difference (all P>0.05), without statistical difference after treatment between the two groups (all P>0.05). The TCM score after treatment was lower than that before treatment in the embedding group (P<0.05), and the difference was not statistical in the western medication group (P>0.05). The different value of TCM score in the embedding group was better than that in the western medication group (P<0.01). The total effective rate in the embedding group was 98.0% (147/150), which was superior to 92.7% (139/150) in the western medication group (P<0.05). The incidence of type 2 diabetes was 2.0% (3/150) in the embedding group, and that was better than 7.3% (11/150) in the western medication group (P<0.05). CONCLUSION: Thumb-tack needle for subcutaneous embedding for 2 years could apparent improve the indexes of IGT, which is better than western medication, without liver and kidney damage.

Large-scale calculations of thermoelectric transport coefficients: a case study of γ-graphyne with point defects.

Defects such as vacancies and impurities could have profound effects on the transport properties of thermoelectric materials. However, it is usually quite difficult to directly calculate the thermoelectric properties of defect-containing systems via first-principles methods since a very large supercell is required. In this work, based on the linear response theory and the kernel polynomial method, we present an efficient approach that can help to calculate the thermoelectric transport coefficients of a large system containing millions of atoms at arbitrary chemical potential and temperature. As a prototype example, we consider dilute vacancies and hydrogen impurities in a large-scale γ-graphyne sheet and discuss their effects on the thermoelectric transport properties.

A simple and efficient criterion for ready screening of potential topological insulators.

Topological materials are a new and rapidly expanding class of quantum matter. To date, identification of the topological nature of a given compound material demands specific determination of the appropriate topological invariant through detailed electronic structure calculations. Here we present an efficient criterion that allows ready screening of potential topological materials, using topological insulators as prototypical examples. The criterion is inherently tied to the band inversion induced by spin-orbit coupling, and is uniquely defined by a minimal number of two elemental physical properties of the constituent elements: the atomic number and Pauling electronegativity. The validity and predictive power of the criterion is demonstrated by rationalizing many known topological insulators and potential candidates in the tetradymite and half-Heusler families, and the underlying design principle is naturally also extendable to predictive discoveries of other classes of topological materials.

Maximizing the thermoelectric performance of topological insulator Bi2Te3 films in the few-quintuple layer regime.

Using first-principles calculations and the Boltzmann theory, we explore the feasibility to maximize the thermoelectric figure of merit (ZT) of topological insulator Bi2Te3 films in the few-quintuple layer regime. We discover that the delicate competitions between the surface and bulk contributions, coupled with the overall quantum size effects, lead to a novel and generic non-monotonous dependence of ZT on the film thickness. In particular, when the system crosses into the topologically non-trivial regime upon increasing the film thickness, the much longer surface relaxation time associated with the robust nature of the topological surface states results in a maximal ZT value, which can be further optimized to ∼2.0 under physically realistic conditions. We also reveal the appealing potential of bridging the long-standing ZT asymmetry of p- and n-type Bi2Te3 systems.