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Background Previous studies have shown various improvement effects of non-invasive brain stimulation (NIBS) on autism spectrum disorder (ASD), and there is a lack of comparison of the efficacy of different types of NIBS. Objective To systematically evaluate the effect of NIBS on ASD, and to compare the curative effects of two types of NIBS. Methods Randomized controlled trials (RCTs) about the effect of NIBS on ASD〔both experimental and control groups received conventional treatments, and the experimental group additionally received transcranial direct current stimulation (tDCS) or repetitive transcranial magnetic stimulation (rTMS) 〕 were retrieved from databases of PubMed, Embase, Cochrane Library, Scopus, Web of Science, CNKI, Wanfang Data, CQVIP, and SinoMed from inception to December 2021. Two researchers independently implemented literature screening and data extraction, and used the Cochrane Handbook for Systematic Reviews of Interventions (version 5.1.0) to assess the risk of bias of the included studies. The statistical analysis was performed using RevMan 5.3 and R 4.0.2. Results Ultimately, 22 studies involving 661 patients were included. Meta-analysis showed that NIBS could reduce Autism Behavior Checklist (ABC) score 〔MD=-8.80, 95%CI (-10.98, -6.62), PrTMS (P=0.069) . Conclusion Existing evidence shows that NIBS can improve ASD, and the effect of tDCS is better than that of rTMS.

Nanozymes, made of emerging nanomaterials, have similar activity to natural enzyme and exhibit promising applications in in the fields of environment, biology and medicine, and food safety science. In recent years, with the deep finding and research to nanozymes by researchers, its application in field of pharmaceutical analysis has emerged gradually, possessing great significance in drug safety evaluation and quality control. This review summarizes the construction of metal nanozymes, strategies to improve their performance and their application in pharmaceutical detection and analysis, especially in detection of target analytes consisting of small molecule medicine macromolecule, toxic and others, which proposes theoretical foundation for development of nanozymes in this field. At the same time, it also provides opportunities and challenges for the construction and application of new nanozymes. [ABSTRACT FROM AUTHOR]

Ellagic acid (EA) is a natural polyphenolic compound. Recent studies have shown that EA has potential anticancer properties against gastric cancer (GC). This study aims to reveal the potential targets and mechanisms of EA against GC. This study adopted methods of bioinformatics analysis and network pharmacology, including the weighted gene co‐expression network analysis (WGCNA), construction of protein–protein interaction (PPI) network, receiver operating characteristic (ROC) and Kaplan–Meier (KM) survival curve analysis, Gene Ontology (GO) function and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis, molecular docking and molecular dynamics simulations (MDS). A total of 540 EA targets were obtained. Through WGCNA, we obtained a total of 2914 GC clinical module genes, combined with the disease database for screening, a total of 606 GC‐related targets and 79 intersection targets of EA and GC were obtained by constructing Venn diagram. PPI network was constructed to identify 14 core candidate targets; TP53, JUN, CASP3, HSP90AA1, VEGFA, HRAS, CDH1, MAPK3, CDKN1A, SRC, CYCS, BCL2L1 and CDK4 were identified as the key targets of EA regulation of GC by ROC and KM curve analysis. The enrichment analysis of GO and KEGG pathways of key targets was performed, and they were mainly enriched in p53 signalling pathway, PI3K‐Akt signalling pathway. The results of molecular docking and MDS showed that EA could effectively bind to 13 key targets to form stable protein–ligand complexes. This study revealed the key targets and molecular mechanisms of EA against GC and provided a theoretical basis for further study of the pharmacological mechanism of EA against GC. [ABSTRACT FROM AUTHOR]

Nanozymes have advantages over natural enzymes in terms of efficiency, stability, and economy. MVSM (Mixed Valence State MOF) is a nano‐oxidase with uricase‐like activity that may catalyze uric acid (UA) in the body into allantoin and H2O2 to treat gout and hyperuricemia by substituting natural uricase. However, it cannot specifically identify and choose UA. To increase the selectivity and affinity of MVSM for UA, the composite material MVSM@MIP is innovatively synthesized using a new synthetic approach termed the "two‐step synthesis method," which may prevent UA from being oxidized by MVSM during manufacture in this study. At the same time, this study also provides experimental proof of the effective creation of the material, the advantages of the "two‐step synthesis approach," and the high selectivity and affinity of MVSM@MIP for UA. Based on these findings, the suggested technique may be used to effectively catalyze uric acid in human urine with high activity. [ABSTRACT FROM AUTHOR]

Objective: This study aims to systematically evaluate the effect of non-invasive brain stimulation (NIBS) on neuropathic pain (NP) after spinal cord injury and compare the effects of two different NIBS. Methods: Randomized controlled trials (RCTs) about the effect of NIBS on NP after spinal cord injury (SCI) were retrieved from the databases of PubMed, Embase, Cochrane Library, Web of Science, CNKI, Wanfang Data, VIP, and CBM from inception to September 2021. The quality of the trials was assessed, and the data were extracted according to the Cochrane handbook of systematic review. Statistical analysis was conducted with Stata (version 16) and R software (version 4.0.2). Results: A total of 17 studies involving 507 patients were included. The meta-analysis showed that NIBS could reduce the pain score (SMD = −0.84, 95% CI −1.27 −0.40, P = 0.00) and the pain score during follow-up (SMD = −0.32, 95%CI −0.57 −0.07, P = 0.02), and the depression score of the NIBS group was not statistically significant than that of the control group (SMD = −0.43, 95%CI −0.89–0.02, P = 0.06). The network meta-analysis showed that the best probabilistic ranking of the effects of two different NIBS on the pain score was repetitive transcranial magnetic stimulation (rTMS) (P = 0.62) > transcranial direct current stimulation (tDCS) (P = 0.38). Conclusion: NIBS can relieve NP after SCI. The effect of rTMS on NP is superior to that of tDCS. We suggest that the rTMS parameters are 80–120% resting motion threshold and 5–20 Hz, while the tDCS parameters are 2 mA and 20 min. However, it is necessary to carry out more large-scale, multicenter, double-blind, high-quality RCT to explore the efficacy and mechanism of NIBS for NP after SCI. [ABSTRACT FROM AUTHOR]

Background. Dysphagia is a common sequelae after stroke. Noninvasive brain stimulation (NIBS) is a tool that has been used in the rehabilitation process to modify cortical excitability and improve dysphagia. Objective. To systematically evaluate the effect of NIBS on dysphagia after stroke and compare the effects of two different NIBS. Methods. Randomized controlled trials about the effect of NIBS on dysphagia after stroke were retrieved from databases of PubMed, Embase, Cochrane Library, Web of Science, CNKI, Wanfang Data, VIP, and CBM, from inception to June 2021. The quality of the trials was assessed, and the data were extracted according to the Cochrane Handbook for Systematic Reviews of Interventions. A statistical analysis was carried out using RevMan 5.3 and ADDIS 1.16.8. The effect size was evaluated by using the standardized mean difference (SMD) and a 95% confidence interval (CI). Results. Ultimately, 18 studies involving 738 patients were included. Meta-analysis showed that NIBS could improve the dysphagia outcome and severity scale (DOSS) score (standard mean difference SMD = 1.44 , 95% CI 0.80 to 2.08, P < 0.05) and the water swallow test score (SMD = 6.23 , 95% CI 5.44 to 7.03, P < 0.05). NIBS could reduce the standardized swallowing assessment (SSA) score (SMD = − 1.04 , 95% CI -1.50 to -0.58, P < 0.05), the penetration-aspiration scale (PAS) score (SMD = − 0.85 , 95% CI -1.33 to -0.36, P < 0.05), and the functional dysphagia scale score (SMD = − 1.05 , 95% CI -1.48 to -0.62, P < 0.05). Network meta-analysis showed that the best probabilistic ranking of the effects of two different NIBS on the DOSS score is rTMS P = 0.52 > tDCS P = 0.48 , the best probabilistic ranking of the SSA score is rTMS P = 0.72 > tDCS P = 0.28 , and the best probabilistic ranking of the PAS score is rTMS P = 0.68 > tDCS P = 0.32 . Conclusion. Existing evidence showed that NIBS could improve swallowing dysfunction and reduce the occurrence of aspiration after stroke, and that rTMS is better than tDCS. Limited by the number of included studies, more large-sample, multicenter, double-blind, high-quality clinical randomized controlled trials are still needed in the future to further confirm the results of this research. [ABSTRACT FROM AUTHOR]

Clinical studies have shown that dapagliflozin can reduce cardiovascular outcome in patients with type 2 diabetes mellitus (T2DM), but the exact mechanism is unclear. In this study, we used the molecular docking and network pharmacology methods to explore the potential mechanism of dapagliflozin on T2DM complicated with cardiovascular diseases (CVD). Dapagliflozin's potential targets were predicted via the Swiss Target Prediction platform. The pathogenic targets of T2DM and CVD were screened by the Online Mendelian Inheritance in Man (OMIM) and Gene Cards databases. The common targets of dapagliflozin, T2DM and CVD were used to establish a protein‐protein interaction (PPI) network; the potential protein functional modules in the PPI network were found out by MCODE. Metascape tool was used for Gene Ontology (GO) and Kyoto Encyclopaedia of Genes and Genomes (KEGG) pathway enrichment analysis. A potential protein functional module with the best score was obtained from the PPI network and 9 targets in the protein functional module all showed good binding properties when docking with dapagliflozin. The results of KEGG pathway enrichment analysis showed that the underlying mechanism mainly involved AGE‐RAGE signalling pathway in diabetic complications, TNF signalling pathway and MAPK signalling pathway. Significantly, the MAPK signalling pathway was considered as the key pathway. In conclusion, we speculated that dapagliflozin played a therapeutic role in T2DM complicated with CVD mainly through MAPK signalling pathway. This study preliminarily reveals the possible mechanism of dapagliflozin in the treatment of T2DM complicated with CVD and provides a theoretical basis for future clinical research. [ABSTRACT FROM AUTHOR]

Metal single-sites are unique components that are indispensable in the composition of metal–organic frameworks (MOFs). Combined with the porous, crystalline, heterogeneous, and other characteristics of MOFs, the single-sites promote the rapid multidisciplinary development of the MOF platform. The multidimensional porous structure (2D,3D), abundant metal sites, and designable defect-engineering lay the foundation for researching the mechanism of metal unsaturated single-site systems. Suitable metal centers or open/unsaturated metal sites are conducive for optimizing the applications of MOFs in storage, separation, organic catalysis, degradation, contaminant removal, colorimetric sensing, and other related fields. In this review, we have first summarized the in situ emerged and post-modification synthetic methods of metal single-sites in the past five years, and have described the role of various sites in MOFs. Secondly, we have discussed the mechanism of action of the single sites and classified them based on the group ordinal number of the metal elements. Finally, we summarized the applications of MOFs with metal sites and propose potential development prospects. Last but not the least, we hope that this review will be helpful for quick access to valuable references about MOF single-sites and their applications. [ABSTRACT FROM AUTHOR]

Herein, through the interfacial regulation of cucurbiturils (CBs) on Fe3O4–Au nanoparticles, a novel multifunctional platform is constructed for the sensitive detection of Cd2+ and the selective catalytic reduction (SCR) of nitrocompounds. The reported surface modification strategy provides an efficient approach to prepare a new platform for multiple purposes. [ABSTRACT FROM AUTHOR]

Marine magnetic method is widely used for detecting and locating the submarine pipeline. In this paper, the theoretical calculation model of total-field magnetic anomalies (TMAs) of submarine pipeline was derived based on Poisson’s equation. Taking a submarine gas pipeline for example, the TMA theoretical calculation and the verification sea test were carried out. Based on the calculation, the influences that the geomagnetic parameters, pipeline parameters, and measuring plane height had on the TMA characteristics of pipeline were analyzed. The TMA shape changed slightly with geomagnetic declination ${D}$ and was significantly influenced by the azimuth $\theta $ of the pipeline. The corresponded location of the pipeline on the TMA profile varied with ${D}$ seemed to be symmetrical with ${D} = 0^\circ $ as the center, but within 1.0 m, and changed greatly with $\theta $ with an offset distance of upping to 4.4 m. The TMA amplitude was linearly positively correlated with geomagnetic intensity ${T} _{0}$ , quadratic difference of outer and inner diameters of pipeline ${d} _{1}^{2}$ – ${d} _{2}^{2}$ , and susceptibility $\kappa $ , respectively, and was inversely proportional to the square of measuring plane height ${R}$ , and changed greatly with ${D}$ , ${I}$ , and $\theta $ but without obvious correlation. The TMA width changed greatly with ${I}$ and $\theta $ , respectively, but without obvious correlation, and was approximately positively correlated with R. On the TMA profile that was perpendicular to the pipeline, there would be an obvious “pulse” anomaly on the smooth profile, and the location of pipeline corresponded a specific point near the TMA maximum point depending on ${D}$ and $\theta $ , so that the accurate location of the pipeline needed to be corrected according to these two parameters, not just the TMA maximum point. [ABSTRACT FROM AUTHOR]

In this work, a novel composite magnetic graphene oxide@magnetic halloysite nanotubes (MGO@magnetic Hal nanotube) was constructed to serve as an efficient solid phase adsorption tool for the separation of rutin by covalent binding of 3-aminopropyltrimethoxysilane (APTES)-functionalized magnetic graphene oxide (MGO) and magnetic halloysite (Hal) nanotubes. In particular, the amino group of APTES reacted with the epoxy bond on the basal planes of MGO instead of the edges carboxyl group, so that magnetic Hal nanotube could be inserted between the layers of MGO to prevent aggregation more effectively. In order to prove that the composite was synthesized in the ideal way, characterization tests such as FT-IR, XPS, SEM and HRTEM were made in detail. More importantly, the MGO@magnetic Hal nanotube possessed stronger super magnetism (40.82 emu g−1) than MGO and magnetic Hal nanotube by VSM characterization. In addition, further experiments show the adsorption process could be described by pseudo-second-order model and Freundlich isotherm model. Besides, the adsorption capacity of rutin by the composite was also greater than that of rutin by the single material. Some key parameters in the process of adsorption and desorption were also optimized. Finally, MGO@magnetic Hal nanotube was successfully used for the extraction of rutin from health products because of its excellent magnetism and adsorption. • New composites were constructed by chemically binding MGO and magnetic Hal nanotube. • A composite magnetism was enhanced compared with single magnetic materials. • For the first time this magnetic composite was used as extraction agent of rutin. [ABSTRACT FROM AUTHOR]

Background: Shugan Jieyu Capsule (SJC) is a pure Chinese medicine compound prepared with Hypericum perforatum and Acanthopanacis senticosi . SJC has been approved for the clinical treatment of depression, but the mechanism of action is still unclear., Objectives: Network pharmacology, molecular docking, and molecular dynamics simulation (MDS) were applied in the present study to explore the potential mechanism of SJC in the treatment of depression., Methods: TCMSP, BATMAN-TCM, and HERB databases were used, and related literature was reviewed to screen the effective active ingredients of Hypericum perforatum and Acanthopanacis senticosi . TCMSP, BATMAN-TCM, HERB, and STITCH databases were used to predict the potential targets of effective active ingredients. GeneCards database, DisGeNET database, and GEO data set were used to obtain depression targets and clarify the intersection targets of SJC and depression. STRING database and Cytoscape software were used to build a protein-protein interaction (PPI) network of intersection targets and screen the core targets. The enrichment analysis on the intersection targets was conducted. Then the receiver operator characteristic (ROC) curve was constructed to verify the core targets. The pharmacokinetic characteristics of core active ingredients were predicted by SwissADME and pkCSM. Molecular docking was performed to verify the docking activity of the core active ingredients and core targets, and molecular dynamics simulations were performed to evaluate the accuracy of the docking complex., Results: We obtained 15 active ingredients and 308 potential drug targets with quercetin, kaempferol, luteolin, and hyperforin as the core active ingredients. We obtained 3598 targets of depression and 193 intersection targets of SJC and depression. A total of 9 core targets (AKT1, TNF, IL6, IL1B, VEGFA, JUN, CASP3, MAPK3, PTGS2) were screened with Cytoscape 3.8.2 software. A total of 442 GO entries and 165 KEGG pathways (p <0.01) were obtained from the enrichment analysis of the intersection targets, mainly enriched in IL-17, TNF, and MAPK signaling pathways. The pharmacokinetic characteristics of the 4 core active ingredients indicated that they could play a role in SJC antidepressants with fewer side effects. Molecular docking showed that the 4 core active components could effectively bind to the 8 core targets (AKT1, TNF, IL6, IL1B, VEGFA, JUN, CASP3, MAPK3, PTGS2), which were related to depression by the ROC curve. MDS showed that the docking complex was stable., Conclusion: SJC may treat depression by using active ingredients such as quercetin, kaempferol, luteolin, and hyperforin to regulate targets such as PTGS2 and CASP3 and signaling pathways such as IL-17, TNF, and MAPK, and participate in immune inflammation, oxidative stress, apoptosis, neurogenesis, etc., (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.)

Background: Patients with gastric cancer (GC) are more likely to be infected with 2019 coronavirus disease (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), and the prognosis is worse. It is urgent to find effective treatment methods., Objective: This study aimed to explore the potential targets and mechanism of ursolic acid (UA) on GC and COVID-19 by network pharmacology and bioinformatics analysis., Methods: The online public database and weighted co-expression gene network analysis (WGCNA) were used to screen the clinical related targets of GC. COVID-19-related targets were retrieved from online public databases. Then, a clinicopathological analysis was performed on GC and COVID-19 intersection genes. Following that, the related targets of UA and the intersection targets of UA and GC/COVID-19 were screened. Gene Ontology (GO) and Kyoto Encyclopedia of Gene and Genome Analysis (KEGG) pathway enrichment analyses were performed on the intersection targets. Core targets were screened using a constructed protein-protein interaction network. Finally, molecular docking and molecular dynamics simulation (MDS) of UA and core targets were performed to verify the accuracy of the prediction results., Results: A total of 347 GC/COVID-19-related genes were obtained. The clinical features of GC/COVID-19 patients were revealed using clinicopathological analysis. Three potential biomarkers (TRIM25, CD59, MAPK14) associated with the clinical prognosis of GC/COVID-19 were identified. A total of 32 intersection targets of UA and GC/COVID-19 were obtained. The intersection targets were primarily enriched in FoxO, PI3K/Akt, and ErbB signaling pathways. HSP90AA1, CTNNB1, MTOR, SIRT1, MAPK1, MAPK14, PARP1, MAP2K1, HSPA8, EZH2, PTPN11, and CDK2 were identified as core targets. Molecular docking revealed that UA strongly binds to its core targets. The MDS results revealed that UA stabilizes the protein-ligand complexes of PARP1, MAPK14, and ACE2., Conclusion: This study found that in patients with gastric cancer and COVID-19, UA may bind to ACE2, regulate core targets such as PARP1 and MAPK14, and the PI3K/Akt signaling pathway, and participate in antiinflammatory, anti-oxidation, anti-virus, and immune regulation to exert therapeutic effects., (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.)

Introduction: Yerba mate is widely consumed in South American countries and is gaining popularity around the world. Long-term consumption of yerba mate has been proven to have health-care functions and therapeutic effects on many diseases; however, its underlying mechanism has not been clearly elucidated. In this research, we explored the pharmacological mechanism of yerba mate through a network pharmacological approach., Material and Methods: The bioactive components of yerba mate were screened from published literature and the Traditional Chinese Medicine System Pharmacology Database (TCMSP), and the targets and related diseases were retrieved by TCMSP. Furthermore, the component-target-disease network an protein-protein interaction (PPI) network were constructed, and combined with gene ontology (GO) functional analysis and Kyoto Encyclopaedia of Genes and Genomes (KEGG) pathway enrichment analysis to explore the pharmacological mechanism of yerba mate., Results: As a result, 16 bioactive components of yerba mate were identified, which acted on 229 targets in total. Yerba mate can be used to treat 305 diseases, such as breast cancer, asthma, Alzheimer's disease, osteoarthritis, diabetes mellitus, atherosclerosis, and obesity. Protein kinase B (AKT1), signal transducer and activator of transcription 3 (STAT3), mitogen-activated protein kinase 1 (MAPK1), transcription factor AP-1 (JUN), cellular tumour antigen (p53) TP53, tumour necrosis factor (TNF), transcription factor p65 (RELA), interleukin-6 (IL6), amyloid-beta precursor protein (APP), and vascular endothelial growth factor A (VEGFA) were identified as the key targets of yerba mate playing pharmacological roles. The signalling pathways identified by KEGG pathway enrichment analysis that were most closely related to the effects of yerba mate included pathways in cancer, fluid shear stress and atherosclerosis, and human cytomegalovirus infection., Conclusion: the results of our study preliminarily verify the basic pharmacological action and possible mechanism of yerba mate and provide a reference for the further development of its medicinal value.

Herein, through the interfacial regulation of cucurbiturils (CBs) on Fe 3 O 4 -Au nanoparticles, a novel multifunctional platform is constructed for the sensitive detection of Cd 2+ and the selective catalytic reduction (SCR) of nitrocompounds. The reported surface modification strategy provides an efficient approach to prepare a new platform for multiple purposes.