Molecular dynamics study of CO2 absorption and desorption in zinc imidazolate frameworks

This research utilised two high-performance computing facilities. Development of the force field was carried out using Queen Mary's MidPlus computational facilities, supported by QMUL Research-IT and funded by EPSRC grant EP/K000128/1. The molecular dynamics simulations were carried out using the ARCHER UK National Supercomputing Service (http://www.archer.ac.uk), with access made available through our membership of the UK's HEC Materials Chemistry Consortium, which is funded by EPSRC (EP/L000202). MG and CY were supported by both the China Scholarship Council and Queen Mary University of London. AM was supported by a European Union Marie Sklodowska-Curie fellowship

Use of magnetic powder to effectively improve the performance of sequencing batch reactors (SBRs) in municipal wastewater treatment

© 2017 Elsevier Ltd This study aims to investigate the effect of adding magnetic powder in the sequencing batch reactor (SBR) on the reactor performance and microbial community. Results indicated that, the magnetic activated sludge sequencing batch reactor (MAS-SBR) had 7.76% and 4.76% higher ammonia nitrogen (NH4+-N) and chemical oxygen demand (COD) removal efficiencies than that of the conventional SBR (C-SBR). The MAS-SBR also achieved 6.86% sludge reduction compared with the C-SBR. High-throughput sequencing demonstrated that the dominant phyla of both SBRs (present as ≥1% of the sequence reads) were Protebacteria, Bacteroidetes, Chloroflexi, Saccharibacteria, Chlorobi, Firmicutes, Actinobactoria, Acidobacteria, Planctomycetes and unclassified_Bacteria. The relative abundance of Protebacteria and Bacteroidetes simultaneously declined whereas the other 8 phyla increased following the addition of magnetic powder. Adding magnetic powder in the SBR significantly affected the microbial diversity and richness of activated sludge, consequently affecting the reactor performance

Effect of magnetic powder on membrane fouling mitigation and microbial community/composition in membrane bioreactors (MBRs) for municipal wastewater treatment

© 2017 Elsevier Ltd This study aims to investigate the usefulness of magnetic powder addition in membrane bioreactors (MBRs) for membrane fouling mitigation and its effect on microbial community and composition. The comparison between the two MBRs (one with magnetic powder (MAS-MBR) and one without magnetic powder (C-MBR)) was carried out to treat synthetic municipal wastewater. Results showed that bioflocculation and adsorption of magnetic powder contributed only minimally to membrane fouling mitigation while the slower fouling rate might be ascribed to magnetic bio-effect. The macromolecules (larger than 500 kDa and 300–500 kDa) of soluble microbial product from the MAS-MBR were reduced by 24.06% and 11.11%, respectively. High-throughput sequencing demonstrated the most abundant genera of biofilm sludge indicated lower abundance in bulk sludge from the MAS-MBR compared to the C-MBR. It is possible that less membrane fouling is connected to reductions in large molecules and pioneer bacteria from bulk sludge

Airborne observations of regional variation in fluorescent aerosol across the United States

Airborne observations of fluorescent aerosol were made aboard an airship during CloudLab, a series of flights that took place in September and October of 2013 and covered a wideband of longitude across the continental U.S. between Florida and California and between 28 and 37-N latitudes. Sampling occurred from near the surface to 1000-m above the ground. A Wideband Integrated Bioaerosol Sensor (WIBS-4) measured average concentrations of supermicron fluorescent particles aloft (1-μm to 10-μm), revealing number concentrations ranging from 2.1-±-0.8 to 8.7-±-2.2-×-104 particles m-3 and representing up to 24% of total supermicron particle number. We observed distinct variations in size distributions and fluorescent characteristics in different regions, and attribute these to geographically diverse bioaerosol. Fluorescent aerosol detected in the east is largely consistent with mold spores observed in a laboratory setting, while a shift to larger sizes associated with different fluorescent patterns is observed in the west. Fluorescent bioaerosol loadings in the desert west were as high as those near the Gulf of Mexico, suggesting that bioaerosol is a substantial component of supermicron aerosol both in humid and arid environments. The observations are compared to model fungal and bacterial loading predictions, and good agreement in both particle size and concentrations is observed in the east. In the west, the model underestimated observed concentrations by a factor between 2 and 4 and the prescribed particle sizes are smaller than the observed fluorescent aerosol. A classification scheme for use with WIBS data is also presented. Key Points Fluorescent supermicron aerosol loads are reported across the southern U.S. Regional variations in fluorescent behavior and particle size are observed Comparison to modeled emissions shows an underestimate in the wes

Conduct Disorder and the specifier callous and unemotional traits in the DSM-5

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Identification of chemokine receptors as potential modulators of endocrine resistance in oestrogen receptor–positive breast cancers

Introduction Endocrine therapies target oestrogenic stimulation of breast cancer (BC) growth, but resistance remains problematic. Our aims in this study were (1) to identify genes most strongly associated with resistance to endocrine therapy by intersecting global gene transcription data from patients treated presurgically with the aromatase inhibitor anastrazole with those from MCF7 cells adapted to long-term oestrogen deprivation (LTED) (2) to assess the clinical value of selected genes in public clinical data sets and (3) to determine the impact of targeting these genes with novel agents. Methods Gene expression and Ki67 data were available from 69 postmenopausal women with oestrogen receptor–positive (ER+) early BC, at baseline and 2 weeks after anastrazole treatment, and from cell lines adapted to LTED. The functional consequences of target genes on proliferation, ER-mediated transcription and downstream cell signalling were assessed. Results By intersecting genes predictive of a poor change in Ki67 with those upregulated in LTED cells, we identified 32 genes strongly correlated with poor antiproliferative response that were associated with inflammation and/or immunity. In a panel of LTED cell lines, C-X-C chemokine receptor type 7 (CXCR7) and CXCR4 were upregulated compared to their wild types (wt), and CXCR7, but not CXCR4, was associated with reduced relapse-free survival in patients with ER+ BC. The CXCR4 small interfering RNA variant (siCXCR4) had no specific effect on the proliferation of wt-SUM44, wt-MCF7 and their LTED derivatives. In contrast, siCXCR7, as well as CCX733, a CXCR7 antagonist, specifically suppressed the proliferation of MCF7-LTED cells. siCXCR7 suppressed proteins associated with G1/S transition and inhibited ER transactivation in MCF7-LTED, but not wt-MCF7, by impeding association between ER and proline-, glutamic acid– and leucine-rich protein 1, an ER coactivator. Conclusions These data highlight CXCR7 as a potential therapeutic target warranting clinical investigation in endocrine-resistant BC

Longer telomere length in peripheral white blood cells is associated with risk of lung cancer and the rs2736100 (CLPTM1L-TERT) polymorphism in a prospective cohort study among women in China.

A recent genome-wide association study of lung cancer among never-smoking females in Asia demonstrated that the rs2736100 polymorphism in the TERT-CLPTM1L locus on chromosome 5p15.33 was strongly and significantly associated with risk of adenocarcinoma of the lung. The telomerase gene TERT is a reverse transcriptase that is critical for telomere replication and stabilization by controlling telomere length. We previously found that longer telomere length measured in peripheral white blood cell DNA was associated with increased risk of lung cancer in a prospective cohort study of smoking males in Finland. To follow up on this finding, we carried out a nested case-control study of 215 female lung cancer cases and 215 female controls, 94% of whom were never-smokers, in the prospective Shanghai Women's Health Study cohort. There was a dose-response relationship between tertiles of telomere length and risk of lung cancer (odds ratio (OR), 95% confidence interval [CI]: 1.0, 1.4 [0.8-2.5], and 2.2 [1.2-4.0], respectively; P trend = 0.003). Further, the association was unchanged by the length of time from blood collection to case diagnosis. In addition, the rs2736100 G allele, which we previously have shown to be associated with risk of lung cancer in this cohort, was significantly associated with longer telomere length in these same study subjects (P trend = 0.030). Our findings suggest that individuals with longer telomere length in peripheral white blood cells may have an increased risk of lung cancer, but require replication in additional prospective cohorts and populations