Integrated bioinformatics and network pharmacology to explore the therapeutic target and molecular mechanisms of Taxus chinensis against non-small cell lung cancer.

Taxus chinensis (TC) has tremendous therapeutic potential in alleviating non-small cell lung cancer (NSCLC), but the mechanism of action of TC remains unclear. Integrated bioinformatics and network pharmacology were employed in this study to explore the potential targets and molecular mechanism of TC against NSCLC. Data obtained from public databases were combined with appropriate bioinformatics tools to identify the common targets for TC and NSCLC. Common targets were uploaded to the Metascape database for gene ontology terms and Kyoto Encyclopedia of Genes and Genomes pathway analyses. A protein-protein interaction network was established, and topological analysis was performed to obtain hub genes. The expression of the hub genes in NSCLC tissues and their consequent effects on the prognosis of patients with NSCLC were confirmed using the Human Protein Atlas database and appropriate bioinformatics tools. Molecular docking was used to verify the binding affinity between the active ingredients and hub targets. We found 401 common targets that were significantly enriched in the cancer, MAPK signaling, and PI3K/Akt signaling pathways. Proto-oncogene tyrosine-protein kinase Src (SRC), mitogen-activated protein kinase 1, phosphoinositide-3-kinase, regulatory subunit 1 (PIK3R1), AKT serine/threonine kinase 1 (AKT1), phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha (PIK3CA), and lymphocyte-specific protein tyrosine kinase were identified as the hub genes. Immunohistochemical results confirmed that the expression of SRC, mitogen-activated protein kinase 1, PIK3R1, AKT1, and phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha was upregulated in the NSCLC tissues, while survival analysis revealed the expression of SRC, AKT1, PIK3R1, and lymphocyte-specific protein tyrosine kinase was closely related to the prognosis of patients with NSCLC. Molecular docking results confirmed all bioactive ingredients present in TC strongly bound to hub targets. We concluded that TC exhibits an anti-NSCLC role through multi-target combination and multi-pathway cooperation.

Comparative study on the gastrointestinal- and immune- regulation functions of Hedysari Radix Paeparata Cum Melle and Astragali Radix Praeparata cum Melle in rats with spleen-qi deficiency, based on fuzzy matter-element analysis.

CONTEXT: Hedysari Radix Praeparata Cum Melle (HRPCM) and Astragali Radix Praeparata Cum Melle (ARPCM) are used interchangeably in clinics to treat spleen-qi deficiency (SQD) symptom mainly including gastrointestinal dysfunction and decreased immunity, which has unknown differences in efficacy. OBJECTIVE: To investigate the differences between HRPCM and ARPCM on intervening gastrointestinal- and immune-function with SQD syndrome. MATERIALS AND METHODS: After the SQD model was established, the Sprague-Dawley (SD) rats were randomly divided into nine groups (n = 10): normal; model; Bu-Zhong-Yi-Qi Pills; 18.9, 12.6 and 6.3 g/kg dose groups of HRPCM and ARPCM. Gastrointestinal function including d-xylose, gastrin, amylase vasoactive intestinal peptide, motilin, pepsin, H+/K+-ATPase, Na+/K+-ATPase, sodium-glucose cotransporter 1 (SGLT1), glucose transporter 2 (GLUT2) and immune function including spleen and thymus index, blood routine, interleukin (IL)-2, IL-6, interferon-γ (IFN-γ), tumour necrosis factor-α (TNF-α), immunoglobulin (Ig) M, IgA, IgG and delayed-type hypersensitivity (DTH) were detected. Finally, the efficacy differences were analysed comprehensively by the fuzzy matter-element method. RESULTS: In regulating immune, the doses differences in efficacy between HRPCM and ARPCM showed in the high-dose (18.9 g/kg), but there were no differences in the middle- and low- dose (12.6 and 6.37 g/kg); the efficacy differences were primarily reflected in levels of IL-6, IFN-γ, TNF-α and IgM in serum, and the mRNA expression of IL-6 and IFN-γ in the spleen. In regulating gastrointestinal, the efficacy differences were primarily reflected in the levels of D-xylose, MTL, and GAS in serum, and the mRNA and protein expression of SGLT1 and GLUT2 in jejunum and ileum. DISCUSSION AND CONCLUSIONS: HRPCM is more effective than ARPCM on regulating gastrointestinal function and immune function with SQD syndrome. Therefore, we propose that HRPCM should be mainly used to treat SQD syndrome in the future.

[Comparative study of Astragali Radix Praeparata cum Melle and Hedysari Radix Praeparata cum Melle on spleen Qi deficiency rats].

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Photochemical Synthesis of Selenium Nanospheres of Tunable Size and Colloidal Stability with Simple Diketones.

Temporal and spatial segregations are two fundamental requirements for the successful synthesis of nanoparticles (NPs). To obtain colloidally stable selenium nanospheres (SeNSs), surfactants or polymers are generally needed as structure-directing agents or stabilizers in the reduction approaches for SeNP synthesis. The addition of such chemicals sacrifices the purity of the obtained SeNPs and, therefore, is detrimental to the applications. Here, for the first time, we report that low-molecular weight (less than six carbons) diketones are excellent photoreductants for green and tunable synthesis of SeNPs, owing to their merits in temporal and spatial control. With simple diketones as the photoreductants, the resultant SeNPs were pure and colloidally stable with nice photoelectronic properties. This finding not only provides a useful strategy for the synthesis of SeNPs but also might be a milestone in the development of ketone photochemistry.

[Prediction of Q-markers of Astragali Radix based on network pharmacology and fingerprint].

Astragali Radix is one of the most commonly used medicinal materials. In recent years, its cultivated varieties and a variety of adulterants have flooded the market, which makes its quality uneven, and the development of quality control methods has become a research hotspot. Therefore, figuring out the quality markers of Astragali Radix is of great significance for its comprehensive evaluation. In this study, the fingerprints of 15 batches of Astragali Radix were established by HPLC, and the main components causing intergroup differences were screened out by PLS-DA. On the basis of literature review and network pharmacology analysis, the targets and pathways of active ingredients were obtained from SwissTargetPrediction, PubChem Compound and other databases, and then the "component-target-pathway" network was constructed with Cytoscape 3.7.1 for the prediction of potential quality markers. Twenty-eight common peaks were identified in the established fingerprint, and three differential components were selected as potential quality markers for Astragali Radix, which were astragaloside Ⅳ, calycosin-7-O-ß-D-glucoside and ononin. The proposed method based on HPLC fingerprint of Astragali Radix is convenient and feasible, facilitating the improvement in its quality control.

Dengzhan Shengmai capsules and their active component scutellarin prevent cognitive decline in APP/PS1 mice by accelerating Aß aggregation and reducing oligomers formation.

There is currently no effective treatment to prevent the progress of Alzheimer's disease (AD). The traditional Chinese herbs Dengzhan Shengmai (DZSM) capsules and their active component scutellarin possess multiple effects and are clinically used for the treatment of cerebrovascular diseases. Scutellarin has been reported to affect Aß aggregation. However, the effects of DZSM capsules on AD remain unknown. Through in vivo experiments, our study proved that the alleviating effects of DZSM capsules on cognitive deficits of AD mice were due to the role of scutellarin, which up-regulated low toxic amyloid plaques and down-regulated highly toxic soluble Aß42 and Aß40 levels in cortex. In vitro, we confirmed scutellarin's role in accelerating transforming Aß42 monomers into high-molecular-mass aggregates by biochemical assays, which supported the results observed in drug-treated APP/PS1 mice. In detail, the 1:10 ratio of scutellarin/Aß42 mixtures promoted production of large ß-sheet-rich fibrils whereas the 1:1 ratio promoted production of protofibrils. In addition, the binding between scutellarin and Aß monomers was quantified by microscale thermophoresis test and the apparent dissociation constant (Kd) was 1284.4 ±â€¯238.8 µM. What's more, binding regions between scutellarin and Aß fibrils were predicted by computational docking models and scutellarin might bind parallel to the long axis of Aß42 fibrils targeting hydrophobic grooves at residues 35-36 or 39. In conclusion, DZSM capsules protected against cognitive defects of AD through scutellarin-mediated acceleration of Aß aggregation into fibrils or protofibrils and reduction of soluble Aß oligomers, thus suggesting potential clinical applications of DZSM capsules and scutellarin in the treatment of AD.

Molecular Markers and Diagnostic Model Specific for Barrett's Esophagus.

Biomarkers involved in the progression of Barrett's esophagus (BE) have not been extensively studied. We aimed to identify novel molecular markers for the early diagnosis of BE. The expression profiles of GSE100843 including BE segment and normal squamous mucosa samples before and after vitamin D3 supplementation were downloaded from Gene Expression Omnibus. Differentially expressed genes (DEGs) were identified using the limma package. Principal component analysis was performed using Minitab, and DEGs in the top three principal components were clustered into different gene sets by the mclust package. Pathways and functions enriched by these gene sets were evaluated by deregulation score analysis. Key genes associated with BE were identified by coexpression analysis and a genetic algorithm. Using the xgboost package, an XGBoost classifier specific for BE was further constructed based on the key genes. A total of 2598 DEGs were identified, which were further clustered into nine gene sets. According to the deregulation scores of pathways and functions enriched by these gene sets, nine functional and pathway terms were significantly deregulated in BE. Among the DEGs, CREB3L1, HNF1B, and IL35 were genes with high fitness levels and connectivity degrees, predicting that they were key genes associated with BE. The XGBoost classifier constructed using the key genes was efficient and robust in BE prediction. The accuracies for prediction were 93% and 87% for training and validation datasets, respectively. Key genes may serve as novel biomarkers of BE, and the XGBoost classifier may contribute to the diagnosis of BE in future clinical practice.

Performance evaluation of modified bioretention systems with alkaline solid wastes for enhanced nutrient removal from stormwater runoff.

Bioretention systems have been found to be potential candidates for the removal of various pollutants/nutrients from rainfall or stormwater runoff. Despite bioretention has been widely developed for the removal of nutrients from stormwater, effective removal of both phosphorus and nitrogen is still a challenge. Hence, in this study, bioretention systems modified by alkaline solid waste media have been reported for the effective removal of nutrients. Six different types of solid wastes were first assessed using leaching and adsorption tests, and then the bottom ash from a refuse incineration plant was selected as a modifier. The bottom ash was mixed with soil to form a special media as the filter layer in the bioretention systems. The nutrient removal efficiencies of the modified bioretention systems were evaluated and also compared with those of the unmodified control. For this purpose, the design of the modified filter media with a saturated zone was combined to enhance the simultaneous removal of nitrogen and phosphorus. The effect of different rainfall intensities and nutrient concentrations in stormwater runoff on the removal efficiency of nutrients was evaluated. The results indicated that the modified bioretention with bottom ash modified soil media and saturated zone could exhibit the excellent removal efficiency of nitrogen and phosphorus from stormwater runoff. The extent of removal of total nitrogen, total Kjeldahl nitrogen, and total phosphorus was found to be 58-70%, 66-82% and 82-97%, respectively. The performed correlation analysis showed that the bioretention cell using the special media could simultaneously enhance the removal of phosphorus and nitrogen. As a part of this study, the adsorption isotherms of phosphorus removal by the modified bioretention systems have also been determined. Finally, the implications and opportunities for deploying modified bioretention systems for optimizing water-energy nexus and stormwater management were illustrated. In overall, this study demonstrated that the modified bioretention systems could substantially enhance the removal efficiencies of nutrients from stormwater runoff.

Lead and cadmium adsorption by electrospun PVA/PAA nanofibers: Batch, spectroscopic, and modeling study.

Water-stable PVA/PAA nanofibers were fabricated through electrospinning and evaluated for their performance in lead (Pb(II)) and cadmium (Cd(II)) removal from water in a batch experiment. The adsorption mechanism of Pb(II) was explored using the extended X-ray absorption fine structure (EXAFS) spectroscopic analysis. The PVA/PAA nanofibers showed a pH-dependent behavior for heavy metal removal, and its adsorption capacities for Pb(II) and Cd(II) could reach as high as 159 and 102 mg/g, respectively. The calcium ion (Ca(II)) had no effect on Pb(II) removal at pH 5.0 whereas it significantly reduced Cd(II) removal at pH 7.0. The adsorption of Pb(II) and Cd(II) was spontaneous and exothermic in nature with a decrease in randomness. The saturated PVA/PAA nanofibers could be regenerated using acidic solutions for reuse. The Fourier-transform infrared (FTIR) spectroscopic analysis indicated the formation of surface complexes between adsorbed Pb(II) and Cd(II) and carboxyl groups on PVA/PAA nanofibers. Moreover, EXAFS analysis suggested that a Pb(II) cation was chelated with three carboxyl groups on the nanofibers. This molecular-level adsorption structure was successfully implemented into a surface complexation model for the prediction of the macroscopic Pb(II) and Cd(II) adsorption behaviors. The results gained from this study provided complementary information on heavy metal removal by a new generation of adsorbents and improved the fundamental understanding for the removal process.

Anti-neuroinflammatory and antioxidant phenylpropanoids from Chinese olive.

Chinese olive is served as a famous fruit and traditional herb in China. In this study, the anti-neuroinflammatory and antioxidant phytochemicals of Chinese olive fruits were investigated. Three new phenylpropanoids (2, 6, 19), together with sixteen known congeners, have been isolated and identified. A variety of bioactivities related to the traditional healthy benefits of Chinese olive, including anti-neuroinflammatory, antioxidant and antidiabetic, have been evaluated for the identified compounds. The phenylpropanoids could significantly inhibit the production of nitric oxide induced by lipopolysaccharide (LPS) in microglia cells (BV-2). Compounds 2, 6, and 19 could dose-dependently reduce the expression levels of pro-inflammatory mediator iNOS and COX-2 expressions induced by LPS in BV-2 cells. Meanwhile, some phenylpropanoids showed remarkable antioxidant and antidiabetic activities. This study suggested that Chinese olive could be served as a healthy product for neuroinflammatory related diseases, such as Alzheimer's disease.

Median nerve stimulation prevents atrial electrical remodelling and inflammation in a canine model with rapid atrial pacing.

Aims: Studies have shown that stellate ganglion nerve activity has association with atrial electrical remodelling and atrial fibrillation (AF) inducibility, while median nerve stimulation (MNS) decreases cardiac sympathetic drive. In this study, we tested the hypothesis that MNS suppresses atrial electrical remodelling and AF vulnerability. Methods and results: The atrial effective refractory period (AERP) and AF inducibility at baseline and after 3 h of rapid atrial pacing were determined in dogs undergoing MNS (n = 7), MNS+ application of methyllycaconitine (n = 7) or sham procedure (n = 6). Then, the levels of tumour necrosis factor-alpha (TNF-a), interleukin-6 (IL-6), and acetylcholine (Ach) in the plasma and atrial tissues were measured. The control dogs (n = 4) were assigned to measure atrial inflammation cytokines. Short-term rapid atrial pacing induced shortening of the AERP, an increase in AERP dispersion, and an increase AF vulnerability in the sham dogs, which were all suppressed by MNS. Levels of TNF-a and IL-6 were higher, and Ach levels were lower in the left and the right atrium in the sham dogs than in the MNS dogs. Methyllycaconitine blunted the effects of MNS on the AERP, AERP dispersion, the AF vulnerability, and TNF-a and IL-6 levels in the atrium, but had no impact on the levels of Ach. Conclusions: The effects of MNS on atrial electrical remodelling and AF inducibility might be associated with the cholinergic anti-inflammatory pathway.

Effect of Shensong Yangxin on the Progression of Paroxysmal Atrial Fibrillation is Correlated with Regulation of Autonomic Nerve Activity.

BACKGROUND: Shensong Yangxin (SSYX), a traditional Chinese herbal medicine, has long been used clinically to treat arrhythmias in China. However, the mechanism of SSYX on atrial fibrillation (AF) is unknown. In this study, we tested the hypothesis that the effect of SSYX on the progression of paroxysmal AF is correlated with the regulation of autonomic nerve activity. METHODS: Eighteen mongrel dogs were randomly divided into control group (n = 6), pacing group (n = 6), and pacing + SSYX group (n = 6). The control group was implanted with pacemakers without pacing; the pacing group was implanted with pacemakers with long-term intermittent atrial pacing; the pacing + SSYX group underwent long-term intermittent atrial pacing and SSYX oral administration. RESULTS: Compared to the pacing group, the parameters of heart rate variability were lower after 8 weeks in the pacing + SSYX group (low-frequency [LF] component: 20.85 ± 3.14 vs. 15.3 ± 1.89 ms 2 , P = 0.004; LF component/high-frequency component: 1.34 ± 0.33 vs. 0.77 ± 0.15, P < 0.001). The atrial effective refractory period (AERP) was shorter and the dispersion of the AERP was higher after 8 weeks in the pacing group, while the changes were suppressed by SSYX intake. The dogs in the pacing group had more episodes and longer durations of AF than that in the pacing + SSYX group. SSYX markedly inhibited the increase in sympathetic nerves and upregulation of tumor necrosis factor-alpha and interleukin-6 expression in the pacing + SSYX group. Furthermore, SSYX suppressed the decrease of acetylcholine and α7 nicotinic acetylcholine receptor protein induced by long-term intermittent atrial pacing. CONCLUSIONS: SSYX substantially prevents atrial electrical remodeling and the progression of AF. These effects of SSYX may have association with regulating the imbalance of autonomic nerve activity and the cholinergic anti-inflammatory pathway.

Reducing nitrogen runoff from paddy fields with arbuscular mycorrhizal fungi under different fertilizer regimes.

Nitrogen (N) runoff from paddy fields serves as one of the main sources of water pollution. Our aim was to reduce N runoff from paddy fields by fertilizer management and inoculation with arbuscular mycorrhizal fungi (AMF). In northeast China, Shuangcheng city in Heilongjiang province, a field experiment was conducted, using rice provided with 0%, 20%, 40%, 60%, 80%, and 100% of the local norm of fertilization (including N, phosphorus and potassium), with or without inoculation with Glomus mosseae. The volume, concentrations of total N (TN), dissolved N (DN) and particulate N (PN) of runoff water were measured. We found that the local norm of fertilization led to 18.9kg/ha of N runoff during rice growing season, with DN accounting for 60%-70%. We also found that reduction in fertilization by 20% cut down TN runoff by 8.2% while AMF inoculation decreased N runoff at each fertilizer level and this effect was inhibited by high fertilization. The combination of inoculation with AMF and 80% of the local norm of fertilization was observed to reduce N runoff by 27.2%. Conclusively, we suggested that the contribution of AMF inoculation combined with decreasing fertilization should get more attention to slow down water eutrophication by reducing N runoff from paddy fields.

Can arbuscular mycorrhiza and fertilizer management reduce phosphorus runoff from paddy fields?

Our study sought to assess how much phosphorus (P) runoff from paddy fields could be cut down by fertilizer management and inoculation with arbuscular mycorrhizal fungi. A field experiment was conducted in Lalin River basin, in the northeast China: six nitrogen-phosphorus-potassium fertilizer levels were provided (0, 20%, 40%, 60%, 80%, and 100% of the recommended fertilizer supply), with or without inoculation with Glomus mosseae. The volume and concentrations of particle P (PP) and dissolved P (DP) were measured for each runoff during the rice growing season. It was found that the seasonal P runoff, including DP and PP, under the local fertilization was 3.7 kg/ha, with PP, rather than DP, being the main form of P in runoff water. Additionally, the seasonal P runoff dropped only by 8.9% when fertilization decreased by 20%; rice yields decreased with declining fertilization. We also found that inoculation increased rice yields and decreased P runoff at each fertilizer level and these effects were lower under higher fertilization. Conclusively, while rice yields were guaranteed arbuscular mycorrhizal inoculation and fertilizer management would play a key role in reducing P runoff from paddy fields.

[Detection of Hawthorn Fruit Defects Using Hyperspectral Imaging].

Hyperspectral imaging technology covered the range of 380-1000 nm was employed to detect defects (bruise and insect damage) of hawthorn fruit. A total of 134 samples were collected, which included damage fruit of 46, pest fruit of 30, injure and pest fruit of 10 and intact fruit of 48. Because calyx · s⁻¹ tem-end and bruise/insect damage regions offered a similar appearance characteristic in RGB images, which could produce easily confusion between them. Hence, five types of defects including bruise, insect damage, sound, calyx, and stem-end were collected from 230 hawthorn fruits. After acquiring hyperspectral images of hawthorn fruits, the spectral data were extracted from region of interest (ROI). Then, several pretreatment methods of standard normalized variate (SNV), savitzky golay (SG), median filter (MF) and multiplicative scatter correction (MSC) were used and partial least squares method(PLS) model was carried out to obtain the better performance. Accordingly to their results, SNV pretreatment methods assessed by PLS was viewed as best pretreatment method. Lastly, SNV was chosen as the pretreatment method. Spectral features of five different regions were combined with Regression coefficients(RCs) of partial least squares-discriminant analysis (PLS-DA) model was used to identify the important wavelengths and ten wavebands at 483, 563, 645, 671, 686, 722, 777, 819, 837 and 942 nm were selected from all of the wavebands. Using Kennard-Stone algorithm, all kinds of samples were randomly divided into training set (173) and test set (57) according to the proportion of 3:1. And then, least squares-support vector machine (LS-SVM) discriminate model was established by using the selected wavebands. The results showed that the discriminate accuracy of the method was 91.23%. In the other hand, images at ten important wavebands were executed to Principal component analysis (PCA). Using "Sobel" operator and region growing algrorithm "Regiongrow", the edge and defect feature of 86 Hawthorn could be recognized. Lastly, the detect precision of bruised, insect damage and two-defect samples is 95.65%, 86.67% and 100%, respectively. This investigation demonstrated that hyperspectral imaging technology could detect the defects of bruise, insect damage, calyx, and stem-end in hawthorn fruit in qualitative analysis and feature detection which provided a theoretical reference for the defects nondestructive detection of hawthorn fruit.

Effects of xuesetong soft capsules on angiogenesis and VEGF mRNA expression in ischemic myocardium in rats with myocardial infarction.

OBJECTIVE: To observe the effects of Xuesetong Soft Capsules, Notoginseng total saponin) on angiogenesis and vascular endothelial growth factor (VEGF) mRNA expression in ischemic myocardium of rats with myocardial infarction. METHODS: The left coronary artery of rats was ligated to establish the animal model of acute myocardial infarction. Rats were randomly divided into Xuesetong Soft Capsule, Shexiangbaoxin Pill (positive control), model (negative control) and sham operation groups. After 6 weeks, microvessel count (MVC), microvessel density (MVD) and VEGF mRNA expression in ischemic myocardium were evaluated. RESULTS: MVC and MVD in the myocardial infarct border area in model, Shexiangbaoxin Pill and Xuesetong Soft Capsule groups significantly increased compared with those of the sham operation group (P < 0.05). MVC and MVD in the myocardial infarct border area in Xuesetong Soft Capsule and Shexiangbaoxin Pill groups significantly increased compared with those of the model group (P < 0.05). No significant differences between Xuesetong Soft Capsule and Shexiangbaoxin Pill groups were observed (P > 0.05). The model group showed significantly higher VEGF mRNA expression than that in the sham operation group (P < 0.05). Xuesetong Soft Capsule and Shexiangbaoxin Pill groups showed significantly higher VEGF mRNA expression than that of the model group (P < 0.05). No significant difference between Xuesetong Soft Capsule and the Shexiangbaoxin Pill groups was observed (P > 0.05). CONCLUSION: Xuesetong Soft Capsules promote angiogenesis in ischemic myocardium after myocardial infarction and the mechanism may be associated with VEGF mRNA expression.