Network Pharmacology Prediction and Molecular Docking-Based Strategy to Explore the Potential Mechanism of Gualou Xiebai Banxia Decoction against Myocardial Infarction.

The aim of this study was to investigate targets through which Gualou Xiebai Banxia decoction aids in treating myocardial infarction (MI) using network pharmacology in combination with molecular docking. The principal active ingredients of Gualou Xiebai Banxia decoction were identified from the TCMSP database using the criteria of drug-likeness ≥30% and oral bioavailability ≥0.18. Interactions and pathway enrichment were investigated using protein-protein interaction (PPI) networks and Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis, respectively. Active component structures were docked with those of potential protein targets using AutoDock molecular docking relative softwares. HIF1A was of particular interest as it was identified by the PPI network, GO and KEGG pathway enrichment analyses. In conclusion, the use of network pharmacology prediction and molecular docking assessments provides further information on the active components and mechanisms of action Gualou Xiebai Banxia decoction.

[Carbon footprint of major grain crops in the middle and lower reaches of the Yangtze River during 2011-2020]. / 2011­2020年长江中下游地区主要粮食作物生产碳足迹.

The middle and lower reaches of the Yangtze River is one of main grain production areas in China, which is of great significance to food security. Understanding the carbon footprint of major grain crop production is helpful to develop high-yield and low-carbon agriculture. Based on the data of yield, sown area and farmland production input of main grain crops (rice, wheat and maize) in six provinces (Jiangsu, Anhui, Jiangxi, Hubei, Hunan, and Zhejiang) in the middle and lower reaches of the Yangtze River from 2011 to 2020, we estimated carbon footprint in the production of the three grain crops. The results showed that from 2011 to 2020, yield per unit area, planting area, and total yield of rice, wheat and maize were the highest in Jiangsu Province. In terms of area-scaled carbon footprint, rice in the middle and lower reaches of the Yangtze River had the highest area-scaled carbon footprint, with an average of 2.0 t CE·hm-2, followed by wheat and maize. The area-scaled carbon footprint of the three staple crops was increasing. In terms of yield-scaled carbon footprint, rice was the highest, with an average of 0.8 kg CE·kg-1, followed by wheat and maize. In terms of carbon input structure, irrigation electricity, chemical fertilizers and pesticides accounted for a relatively high proportion. Irrigation electricity accounted for 35.0%, 36.3%, and 33.2% of the total carbon input of rice, wheat and maize, respectively. Chemical fertilizers accounted for 28.8%, 32.5%, and 32.5%, respectively, while pesticides accounted for 24.2%, 13.3% and 11.5%, respectively. In terms of carbon efficiency, maize had the highest (3.9 kg·kg-1 CE), followed by rice and wheat. With the green development of agriculture, carbon emission in the production of major grain crops in the middle and lower reaches of the Yangtze River could be reduced by improving irrigation efficiency, fertilizer utilization efficiency, pesticide utilization efficiency and mechanized operation efficiency, as well as diversification of straw returning, cultivation of new varieties and policy leverage.

Advances in the Protective Mechanism of NO, H2S, and H2 in Myocardial Ischemic Injury.

Myocardial ischemic injury is among the top 10 leading causes of death from cardiovascular diseases worldwide. Myocardial ischemia is caused mainly by coronary artery occlusion or obstruction. It usually occurs when the heart is insufficiently perfused, oxygen supply to the myocardium is reduced, and energy metabolism in the myocardium is abnormal. Pathologically, myocardial ischemic injury generates a large number of inflammatory cells, thus inducing a state of oxidative stress. This sharp reduction in the number of normal cells as a result of apoptosis leads to organ and tissue damage, which can be life-threatening. Therefore, effective methods for the treatment of myocardial ischemic injury and clarification of the underlying mechanisms are urgently required. Gaseous signaling molecules, such as NO, H2S, H2, and combined gas donors, have gradually become a focus of research. Gaseous signaling molecules have shown anti-apoptotic, anti-oxidative and anti-inflammatory effects as potential therapeutic agents for myocardial ischemic injury in a large number of studies. In this review, we summarize and discuss the mechanism underlying the protective effect of gaseous signaling molecules on myocardial ischemic injury.

[Responses of diurnal variation of flag-leaf photosynthesis and photosynthetic pigment content to elevated atmospheric CO2 concentration and temperature of Japonica rice during late growth stage: A FACE study.] / ç²³ç¨»ç”Ÿè‚²åŽæœŸå‰‘å¶å ‰åˆæ—¥å˜åŒ–å’Œå ‰åˆè‰²ç´ å¯¹å¤§æ°”CO2浓度和温度升高的响应­­FACEç ”ç©¶.

A local popular Japonica rice (Oryza sating L.) cultivar, Nanjing 9108, was tested with free air controlled enrichment (FACE) approach to study the responses of photosynthetic pigment content and diurnal variation of flag-leaf photosynthesis to elevated atmospheric CO2 concentration and temperature. Four alternative treatments were designed with two CO2 concentration levels (ambient and elevated 200 µmol·mol-1) and two air temperature regimes (ambient and elevated 1-2 ℃). Diurnal variation of flag-leaf photosynthesis was measured in the middle full stage and the late full stage, and photosynthetic pigment of the leaf was analyzed afterward. Results showed that diurnal variation of net photosynthetic rate (Pn) in each treatment followed a double-peak curve with midday depression feature during late growth stage. Compared to Pn under ambient condition, Pn under elevated CO2 concentration increased by 47.6% and 39.1% on average at middle full stage and late full stage, respectively. There was a negative correlation between temperature and Pn with no significance. Both elevated CO2 concentration and temperature had a significant negative effect on stomatal conductance (gs), decreased by 17.0% and 11.8% on average, respectively. Elevated CO2 concentration significantly reduced transpiration rate (Tr), chlorophyll a (Chl a), chlorophyll b (Chl b), carotene (Car), total chlorophyll (Chl t) and chlorophyll a/b ratio (Chl a/b) during late growth stage of rice by 5.9%, 50.4%, 21.3%, 41.4%, 39.4% and 21.4% on average, respectively, whereas water use efficiency (WUE) increased by 47.9%. However, there were opposite effects on Tr, WUE and photosynthetic pigment content under elevated temperature, with Tr increased by 10.2% and WUE decreased by 20.4%. It could be concluded that elevated CO2 concentration had a greater effect on Pn, gs and photosynthetic pigment content of rice leaf than elevated temperature did during late growth stage. Therefore, it should be paid more attention to the colligate effects of elevated CO2 concentration and high temperature on photosynthesis and photosynthetic pigment content to reduce negative effect of high air temperature.

Berberine targets epidermal growth factor receptor signaling to suppress prostate cancer proliferation in vitro.

Berberine is a well­known component of the Chinese herbal medicine Huanglian (Coptis chinensis), and is capable of inhibiting the proliferation of multiple cancer cell lines. However, information available regarding the effect of berberine on prostate cancer cell growth is limited. In the present study, LnCaP and PC­3 human prostate cancer cell lines were selected as in vitro models in order to assess the efficacy of berberine as an anticancer agent. A cell proliferation assay demonstrated that berberine inhibited cell growth in a dose­and time­dependent manner. Further investigation revealed berberine significantly accumulated inside cells that were in the G1 phase of the cell cycle and enhanced apoptosis. Western blot analysis demonstrated that berberine inhibited the expression of prostate­specific antigen and the activation of epidermal growth factor receptor (EGFR), and it attenuated EGFR activation following EGF treatment in vitro. In conclusion, the results indicate that berberine inhibits the proliferation of prostate cancer cells through apoptosis and/or cell cycle arrest by inactivation of the EGFR signaling pathway.

Bacteriocin immunity proteins play a role in quorum-sensing system regulated antimicrobial sensitivity of Streptococcus mutans UA159.

OBJECTIVE: Antimicrobial sensitivity of Streptococcus mutans can be modulated by putative bacteriocin immunity proteins. Bacteria use a quorum sensing (QS) system to regulate physiological activities including bacteriocin production, antimicrobial response, and biofilm formation. QS system of S. mutans is dependent on competence stimulating peptide (CSP), whose precursor is encoded by comC. However, whether bacteriocin immunity proteins play a role in QS system regulated S. mutans antimicrobial sensitivity is still unknown. We hypothesize that bacteriocin immunity proteins encoded by immA and immB play roles in QS regulated antimicrobial sensitivity in S. mutans UA159. DESIGN: In this study, sensitivity of S. mutans UA 159 comC mutant in planktonic and biofilm states to clinically used antimicrobials was investigated by the plate count method and confocal laser scanning microscopy. The effect of immA and immB inactivation on S. mutans antimicrobial sensitivity was studied. The expression of immA and immB in S. mutans comC mutant before and after chlorhexidine (CHX) treatment was also examined. RESULTS: It was found that comC, immA and immB mutation resulted in enhanced antimicrobial sensitivity to sodium fluoride (NaF), CHX and ampicillin (AMP) in planktonic states. After 2% CHX treatment, the live/dead cell ratio in comC mutant and wild strain biofilms decreased 67% and 39% (P<0.05). The expression of immA and immB was up-regulated in wild strain after CHX treatment, while the up-regulation of immB was largely inhibited in comC mutant (P<0.05). CONCLUSIONS: These findings suggest that the effect of S. mutans UA159 comC mutation on antimicrobial sensitivity can be due, in part, to attenuation of the expression of the bacteriocin immunity proteins related genes.

Correlations among residual multiparticle entropy, local atomic-level pressure, free volume and the phase-ordering rule in several liquids.

A modified Wang-Landau density-of-states sampling approach has been performed to calculate the excess entropy of liquid metals, Lennard-Jones (LJ) system and liquid Si under NVT conditions; and it is then the residual multiparticle entropy (S(RMPE)) is obtained by subtraction of the pair correlation entropy. The temperature dependence of S(RMPE) has been investigated along with the temperature dependence of the local atomic-level pressure and the pair correlation functions. Our results suggest that the temperature dependence of the pair correlation entropy is well described by T(-1) scaling while T(-0.4) scaling well describes the relationship between the excess entropy and temperature. For liquid metals and LJ system, the -S(RMPE) versus temperature curves show positive correlations and the -S(RMPE) of liquid Si is shown to have a negative correlation with temperature, the phase-ordering criterion (based on the S(RMPE)) for predicting freezing transition works in liquid metals and LJ but fails in liquid Si. The local atomic-level pressure scaled with the virial pressure (σ(al)/σ(av)) exhibits the much similar temperature dependence as -S(RMPE) for all studied systems, even though simple liquid metals and liquid Si exhibit opposite temperature dependence in both σ(al)/σ(av) and -S(RMPE). The further analysis shows that the competing properties of the two effects due to localization and free volume on the S(RMPE) exist in simple liquid metals and LJ system but disappear in liquid Si, which may be the critical reason of the failure of the phase-ordering criterion in liquid Si.