bluuebunny/crossref_metadata_2025 huggingface dataset:
A representative metalloprotease induces PGE2 synthesis in fibroblast-like synoviocytes via the NF-κB/COX-2 pathway with amplification by IL-1β and the EP4 receptor
Authors: Viana Mariana N. , Leiguez Elbio , Gutiérrez José M. , Rucavado Alexandra , Markus Regina P. , Marçola Marina , Teixeira Catarina , Fernandes Cristina M.
Published: February 2020

Inflammatory joint conditions are characterized by synovial inflammation, which involves activation of fibroblast-like synoviocytes (FLSs) and production of inflammatory mediators and matrix metalloproteases (MMPs) in joints. This study showed that the snake venom metalloprotease (SVMP) BaP1 activates FLSs to produce PGE2 by a mechanism dependent on COX-2, mPGES-1 and iPLA2s. BaP1 also induces IL-1β release, which up-regulates the production of PGE2 at a late stage of the stimulation. Expression of COX-2 and mPGES-1 are induced by BaP1 via activation of NF-κB pathway. While NF-κB p50 and p65 subunits are involved in up-regulation of COX-2 expression, only p65 is involved in BaP1-induced mPGES-1 expression. In addition, BaP1 up-regulates EP4 receptor expression. Engagement of this receptor by PGE2 triggers a positive feedback loop for its production by up-regulating expression of key components of the PGE2 biosynthetic cascade (COX-2, mPGES-1 and the EP4 receptor), thus contributing to amplification of BaP1-induced effects in FLSs. These data highlight the importance of FLS as a target for metalloproteases in joint inflammation and provide new insights into the roles of MMPs in inflammatory joint diseases. Moreover, our results may give insights into the importance of the catalytic domain, of MMPs for the inflammatory activity of these enzymes.
The behavioral, cellular and immune mediators of HIV-1 acquisition: New insights from population genetics
Authors: Powell Timothy R. , Duarte Rodrigo R. R. , Hotopf Matthew , Hatch Stephani L. , de Mulder Rougvie Miguel , Breen Gerome D. , Lewis Cathryn M. , Nixon Douglas F.
Published: February 2020

Millions are exposed to the human immunodeficiency virus type 1 (HIV-1) every year, but not all acquire the virus, suggesting a potential role for host genetics in the moderation of HIV-1 acquisition. Here, we analyzed summary statistics from the largest genome-wide association study of HIV-1 acquisition to-date, consisting of 6,334 infected patients and 7,247 population controls, to advance our understanding of the genetic mechanisms implicated in this trait. We found that HIV-1 acquisition is polygenic and heritable, with SNP heritability estimates explaining 28–42% of the variance in this trait at a population level. Genetic correlations alongside UK Biobank data revealed associations with smoking, prospective memory and socioeconomic traits. Gene-level enrichment analysis identified EF-hand calcium binding domain 14 as a novel susceptibility gene for HIV–1 acquisition. We also observed that susceptibility variants for HIV-1 acquisition were significantly enriched for genes expressed in T-cells, but also in striatal and hippocampal neurons. Finally, we tested how polygenic risk scores for HIV-1 acquisition influence blood levels of 35 inflammatory markers in 406 HIV-1-negative individuals. We found that higher genetic risk for HIV-1 acquisition was associated with lower levels of C-C motif chemokine ligand 17. Our findings corroborate a complex model for HIV-1 acquisition, whereby susceptibility is partly heritable and moderated by specific behavioral, cellular and immunological parameters.
Machine Learning Analysis for Quantitative Discrimination of Dried Blood Droplets
Authors: Hamadeh Lama , Imran Samia , Bencsik Martin , Sharpe Graham R. , Johnson Michael A. , Fairhurst David J.
Published: February 2020

One of the most interesting and everyday natural phenomenon is the formation of different patterns after the evaporation of liquid droplets on a solid surface. The analysis of dried patterns from blood droplets has recently gained a lot of attention, experimentally and theoretically, due to its potential application in diagnostic medicine and forensic science. This paper presents evidence that images of dried blood droplets have a signature revealing the exhaustion level of the person, and discloses an entirely novel approach to studying human dried blood droplet patterns. We took blood samples from 30 healthy young male volunteers before and after exhaustive exercise, which is well known to cause large changes to blood chemistry. We objectively and quantitatively analysed 1800 images of dried blood droplets, developing sophisticated image processing analysis routines and optimising a multivariate statistical machine learning algorithm. We looked for statistically relevant correlations between the patterns in the dried blood droplets and exercise-induced changes in blood chemistry. An analysis of the various measured physiological parameters was also investigated. We found that when our machine learning algorithm, which optimises a statistical model combining Principal Component Analysis (PCA) as an unsupervised learning method and Linear Discriminant Analysis (LDA) as a supervised learning method, is applied on the logarithmic power spectrum of the images, it can provide up to 95% prediction accuracy, in discriminating the physiological conditions, i.e., before or after physical exercise. This correlation is strongest when all ten images taken per volunteer per condition are averaged, rather than treated individually. Having demonstrated proof-of-principle, this method can be applied to identify diseases.
Intra-specific Niche Partitioning in Antarctic Fur Seals, Arctocephalus gazella
Authors: Jones Kayleigh A. , Ratcliffe Norman , Votier Stephen C. , Newton Jason , Forcada Jaume , Dickens John , Stowasser Gabriele , Staniland Iain J.
Published: February 2020

Competition for resources within a population can lead to niche partitioning between sexes, throughout ontogeny and among individuals, allowing con-specifics to co-exist. We aimed to quantify such partitioning in Antarctic fur seals, Arctocephalus gazella, breeding at South Georgia, which hosts ~95% of the world’s population. Whiskers were collected from 20 adult males and 20 adult females and stable isotope ratios were quantified every 5 mm along the length of each whisker. Nitrogen isotope ratios (δ15N) were used as proxies for trophic position and carbon isotope ratios (δ13C) indicated foraging habitat. Sexual segregation was evident: δ13C values were significantly lower in males than females, indicating males spent more time foraging south of the Polar Front in maritime Antarctica. In males δ13C values declined with age, suggesting males spent more time foraging south throughout ontogeny. In females δ13C values revealed two main foraging strategies: 70% of females spent most time foraging south of the Polar Front and had similar δ15N values to males, while 30% of females spent most time foraging north of the Polar Front and had significantly higher δ15N values. This niche partitioning may relax competition and ultimately elevate population carrying capacity with implications for ecology, evolution and conservation.
MiR-34a Interacts with Cytochrome c and Shapes Stroke Outcomes
Authors: Hu Heng , Hone Emily A. , Provencher Edward A. P. , Sprowls Samuel A. , Farooqi Imran , Corbin Deborah R. , Sarkar Saumyendra N. , Hollander John M. , Lockman Paul R. , Simpkins James W. , Ren Xuefang
Published: February 2020

Blood-brain barrier (BBB) dysfunction occurs in cerebrovascular diseases and neurodegenerative disorders such as stroke. Opening of the BBB during a stroke has a negative impact on acute outcomes. We have recently demonstrated that miR-34a regulates the BBB by targeting cytochrome c (CYC) in vitro. To investigate the role of miR-34a in a stroke, we purified primary cerebrovascular endothelial cells (pCECs) from mouse brains following 1 h transient middle cerebral artery occlusion (tMCAO) and measured real-time PCR to detect miR-34a levels. We demonstrate that the miR-34a levels are elevated in pCECs from tMCAO mice at the time point of BBB opening following 1 h tMCAO and reperfusion. Interestingly, knockout of miR-34a significantly reduces BBB permeability, alleviates disruption of tight junctions, and improves stroke outcomes compared to wild-type (WT) controls. CYC is decreased in the ischemic hemispheres and pCECs from WT but not in miR-34a−/− mice following stroke reperfusion. We further confirmed CYC is a target of miR-34a by a dural luciferase reporter gene assay in vitro. Our study provides the first description of miR-34a affecting stroke outcomes and may lead to discovery of new mechanisms and treatments for cerebrovascular and neurodegenerative diseases such as stroke.
Indeno[1,2-b]thiophene End-capped Perylene Diimide: Should the 1,6-Regioisomers be systematically considered as a byproduct?
Authors: Simón Marqués Pablo , Tintori Francesco , Andrés Castán José María , Josse Pierre , Dalinot Clément , Allain Magali , Welch Gregory , Blanchard Philippe , Cabanetos Clément
Published: February 2020

Usually considered as a byproduct, the 1,6-dibrominated PDI has rarely been functionalized for the preparation of electro-active conjugated molecules, particularly in the field of organic photovoltaics. In light of the literature, one can ask oneself: Does a 1,7-isomer based functional molecule systematically perform better than its 1,6-analogue? To answer this question, we report herein the synthesis and direct comparison of two indeno[1,2-b]thiophene (IDT) end-capped perylene diimide regioisomers (PDI) (1,6 and 1,7) used as non-fullerene acceptors in organic solar cells. It turned out that in our case, ie, when blended with the well-known PTB7-Th donor polymer, higher performance was reached for devices made with the 1,6-analogue.
Bioactive carbon improves nitrogen fertiliser efficiency and ecological sustainability
Authors: Espie Peter , Ridgway Haley
Published: February 2020

Agriculture’s most pressing challenge is raising global food production while minimising environmental degradation. Nutrient deficiencies, principally nitrogen (N), limit production requiring future increases in fertiliser use and risk to proximal non-agricultural ecosystems. We investigated combining humate with urea, globally the most widely used N-suppling fertiliser, in a four-year field study. Humate increased pasture yield by 9.8% more than urea and significantly altered soil microbial diversity and function. Humate increased N retention suggesting microbial sequestration may lower N leaching and volatilisation losses. Humic microbial bio-stimulation could feasibly increase fertiliser efficiency and development of ecologically sustainable agriculture.
Role of core-shell energetics on anti-Mackay, chiral stacking in AgCu nanoalloys and thermally induced transition to chiral stacking
Authors: Settem Manoj , Kanjarla Anand K.
Published: February 2020

In AgCu nanoalloys a size-dependent transition to the chiral stacking from the anti-Mackay stacking has been predicted previously. This trend is explained by considering the interplay between the core-shell energetics. Results indicate that the energy changes in the Ag shell alone is not sufficient to explain the stability of the chiral stacking and the energy changes in the Cu core also need to be considered. In addition to this, thermally induced transition to chiral stacking was observed at sizes where anti-Mackay stacking is energetically favourable. On transition to the chiral stacking, the Ag-Ag, Ag-Cu and Cu-Cu bond lengths change significantly. These observations are also applicable for AgCu nanoalloys with incomplete Ag shells.
Subcellular Compartmentalization of Survivin is Associated with Biological Aggressiveness and Prognosis in Prostate Cancer
Authors: Hennigs Jan K. , Minner Sarah , Tennstedt Pierre , Löser Rolf , Huland Hartwig , Klose Hans , Graefen Markus , Schlomm Thorsten , Sauter Guido , Bokemeyer Carsten , Honecker Friedemann
Published: February 2020

The role of subcellular survivin compartmentalization in the biology and prognosis of prostate cancer is unclear. We therefore investigated subcellular localization of survivin in more than 3000 prostate cancer patients by quantitative immunohistochemistry and performed transcriptomics of 250 prostate cancer patients and healthy donors using publicly available datasets. Survivin (BIRC5) gene expression was increased in primary prostate cancers and metastases, but did not differ in recurrent vs non-recurrent prostate cancers. Survivin immunohistochemistry (IHC) staining was limited exclusively to the nucleus in 900 prostate cancers (40.0%), and accompanied by various levels of cytoplasmic positivity in 1338 tumors (59.4%). 0.5% of prostate cancers did not express survivin. Nuclear and cytoplasmic survivin staining intensities were strongly associated with each other, pT category, and higher Gleason scores. Cytoplasmic but not nuclear survivin staining correlated with high tumor cell proliferation in prostate cancers. Strong cytoplasmic survivin staining, but not nuclear staining predicted an unfavorable outcome in univariate analyses. Multivariate Cox regression analysis showed that survivin is not an independent prognostic marker. In conclusion, we provide evidence that survivin expression is increased in prostate cancers, especially in metastatic disease, resulting in higher aggressiveness and tumor progression. In addition, subcellular compartmentalization is an important aspect of survivin cancer biology, as only cytoplasmic, but not nuclear survivin accumulation is linked to biological aggressiveness and prognosis of prostate cancers.
Corrosion Resistance of Graphene oxide/Silver Coatings on Ni–Ti alloy and Expression of IL-6 and IL-8 in Human Oral Fibroblasts
Authors: Srimaneepong Viritpon , Rokaya Dinesh , Thunyakitpisal Pasutha , Qin Jiaqian , Saengkiettiyut Kanokwan
Published: February 2020

Graphene based materials (GBMs) have potentials for dental and medical applications. GBMs may cause changes in the levels of cytokine released in the body. This study aimed to study the corrosion resistance of graphene oxide (GO) and GO/silver (GO/Ag) nanocomposite coated nickel-titanium (NiTi) alloy by electrophoretic deposition and to access the viability of human pulp fibroblasts, and the interleukin (IL)-6 and IL-8 expression level. The bare and coated NiTi samples were characterized by scanning electron microscope (SEM), energy-dispersive X-ray spectroscopy (EDS), Raman spectroscopy, surface profilometry, and X-ray diffraction (XRD). The corrosion resistance of the bare NiTi and coated NiTi samples were investigated by potentiodynamic polarization and electrochemical impedance spectroscopy in 3.5% NaCl solution. The cell viability of human pulp fibroblasts was accessed by the treated culture medium of the bare NiTi and coated NiTi alloys containing 1% fetal bovine serum. IL-6 and IL-8 expression levels were studied by human enzyme-linked immunosorbent assay (ELISA). Data were analyzed using One-way ANOVA (α  =  0.05). Both the GO-coated NiTi and GO/Ag-coated NiTi alloys showed better corrosion resistance, a lower rate of corrosion, and higher protection efficiency than the bare NiTi alloy. The coated NiTi alloys were biocompatible to human pulp fibroblasts and showed upregulation of IL-6 and IL-8 levels.
Low Protein-High Carbohydrate Diets Alter Energy Balance, Gut Microbiota Composition and Blood Metabolomics Profile in Young Pigs
Authors: Spring Shelby , Premathilake Hasitha , DeSilva Udaya , Shili Cedrick , Carter Scott , Pezeshki Adel
Published: February 2020

Reducing dietary crude protein (CP) beyond a certain threshold leads to poor growth performance in pigs; however, the underlying mechanisms are not well understood. Following an adaption period, thirty-seven weaned pigs were weight matched (8.41 ± 0.14 kg), housed individually and randomly assigned into three groups with different dietary CP levels: 24% CP (CON; n = 12), 18% CP (n = 12) and 12% CP (n = 13) for 28 days. The body weight was not different between the CON and 18% CP diets, but 12% CP significantly decreased body weight after day 21. Compared to the CON, pigs fed with 12% CP decreased feed intake day 17 onwards. The 12% CP diet increased the energy expenditure during week 1 compared to the CON. The 12% CP influenced starch and sucrose, nitrogen, and branched-chain amino acids metabolism pathways. The feces of pigs fed with 12% CP were less enriched in Prevotella, but had higher relative abundance of Christensenedilaceae, Aligiphilus and Algoriphagus than CON and 18% CP. Overall, reducing dietary CP by 50%, but not by 25%, significantly influenced the physiological responses in nursery pigs. The pigs fed with low or standard protein diets had differential bacterial communities in their feces as well as serum metabolomics profile.
High and fast adsorption of Cd(II) and Pb(II) ions from aqueous solutions by a waste biomass based hydrogel
Authors: Zhang Mingyue , Yin Quanyu , Ji Xiaoming , Wang Fangling , Gao Xia , Zhao Mingqin
Published: February 2020

A waste biomass based hydrogel soybean residue-poly(acrylic acid) (SR–PAA) was prepared through a fast one-step reaction by UV radiation technology. SR–PAA was used to remove Cd(II) and Pb(II) ions from aqueous solutions. Effect of pH value, temperature, initial concentration, contact time, competitive ions in the solutions on metal ions adsorption and desorption/regeneration capacity of SR–PAA was discussed in detailed. It was found that the adsorption equilibrium was achieved within 20 min, and maximum adsorption for Cd(II) and Pb(II) ions were 1.43 and 2.04 mmol g−1, respectively. Besides, adsorption thermodynamic analysis indicates that the process of Cd(II) and Pb(II) ions adsorption was spontaneous, feasible and exothermic in nature. And experimental data fitted the pseudo-second-order and Freundlich isotherm model well. Moreover, XPS spectra analysis proves that the metal ions were adsorbed on SR–PAA due to the interaction of carboxyl, hydroxyl and amine with these ions as ionic bond, coordination bond and electrostatic interaction.
Macronutrient in soils and wheat from long-term agroexperiments reflects variations in residue and fertilizer inputs
Authors: Shiwakoti Santosh , Zheljazkov Valtcho D. , Gollany Hero T. , Kleber Markus , Xing Baoshan , Astatkie Tess
Published: February 2020

Previous studies in the long-term experiments at Pendleton, OR (USA), were focused on organic matter cycling, but the consequences of land management for nutrient status over time have received little attention. Soil and wheat (Triticum aestivum L.) tissue samples were analyzed to determine the macronutrient dynamics associated with residue management methods and fertilizer rate under a dryland winter wheat-fallow rotation. The treatments included: no burn residue incorporation with farmyard manure (FYM) or pea vines, no burn or spring burn with application of N fertilizer (0, 45, and 90 kg ha−1), and fall burn wheat residue incorporation. The results revealed no differences on the effect of residue burning on macronutrient concentration over time. After receiving the same treatments for 84 years, the concentrations of soil organic C, total N and S, and extractable Mg, K, P in the 0–10 cm depth significantly increased in FYM plots compared to the rest of the plots. The N fertilization rate of 90 kg ha−1 reduced the accumulations of P, K, and Ca in grain compared to the 0 and 45 kg N ha−1 applications. The results indicate that residue incorporation with FYM can play vital role in reducing the macronutrient decline over time.
Evolved Fusarium oxysporum laccase expressed in Saccharomyces cerevisiae
Authors: Kwiatos Natalia , Jędrzejczak-Krzepkowska Marzena , Krzemińska Agnieszka , Delavari Azar , Paneth Piotr , Bielecki Stanisław
Published: February 2020

Fusarium oxysporum laccase was functionally expressed in Saccharomyces cerevisiae and engineered towards higher expression levels and higher reactivity towards 2,6-dimethoxyphenol, that could be used as a mediator for lignin modification. A combination of classical culture optimization and protein engineering led to around 30 times higher activity in the culture supernatant. The winner mutant exhibited three times lower Km, four times higher kcat and ten times higher catalytic efficiency than the parental enzyme. The strategy for laccase engineering was composed of a combination of random methods with a rational approach based on QM/MM MD studies of the enzyme complex with 2,6-dimethoxyphenol. Laccase mediator system with 2,6-dimethoxyphenol caused fulvic acids release from biosolubilized coal.
Comparison of Mendeliome exome capture kits for use in clinical diagnostics
Authors: Pengelly Reuben J. , Ward Daniel , Hunt David , Mattocks Christopher , Ennis Sarah
Published: February 2020

Next generation sequencing has disrupted genetic testing, allowing far more scope in the tests applied. The appropriate sections of the genome to be tested can now be readily selected, from single mutations to whole-genome sequencing. One product offering within this spectrum are focused exomes, targeting ~5,000 genes know to be implicated in human disease. These are designed to offer a flexible platform offering high diagnostic yield with a reduction in sequencing requirement compared to whole exome sequencing. Here, we have undertaken sequencing of control DNA samples and compare two kits, the Illumina TruSight One and the Agilent SureSelect Focused Exome. Characteristics of the kits are comprehensively evaluated. Despite the larger design region of the Agilent kit, we find that the Illumina kit performs better in terms of gene coverage, as well as coverage of clinically relevant loci. We provide exhaustive coverage statistics for each kit to aid the assessment of their suitability and provide read data for control DNA samples to allow for bioinformatic benchmarking by users developing pipelines for these data.
Adaption of the ex vivo mycobacterial growth inhibition assay for use with murine lung cells
Authors: Painter Hannah , Prabowo Satria A. , Cia Felipe , Stockdale Lisa , Tanner Rachel , Willcocks Samuel , Reljic Rajko , Fletcher Helen A. , Zelmer Andrea
Published: February 2020

In the absence of a correlate(s) of protection against human tuberculosis and a validated animal model of the disease, tools to facilitate vaccine development must be identified. We present an optimised ex vivo mycobacterial growth inhibition assay (MGIA) to assess the ability of host cells within the lung to inhibit mycobacterial growth, including Bacille Calmette–Guérin (BCG) and Mycobacterium tuberculosis (MTB) Erdman. Growth of BCG was reduced by 0.39, 0.96 and 0.73 log10 CFU following subcutaneous (s.c.) BCG, intranasal (i.n.) BCG, or BCG s.c. + mucosal boost, respectively, versus naïve mice. Comparatively, a 0.49 (s.c.), 0.60 (i.n.) and 0.81 (s.c. + mucosal boost) log10 reduction in MTB CFU was found. A BCG growth inhibitor, 2-thiophenecarboxylic acid hydrazide (TCH), was used to prevent quantification of residual BCG from i.n. immunisation and allow accurate MTB quantification. Using TCH, a further 0.58 log10 reduction in MTB CFU was revealed in the i.n. group. In combination with existing methods, the ex vivo lung MGIA may represent an important tool for analysis of vaccine efficacy and the immune mechanisms associated with vaccination in the organ primarily affected by MTB disease.
Genetic diversity of the intimin gene (eae) in non-O157 Shiga toxin-producing Escherichia coli strains in China
Authors: Yang Xi , Sun Hui , Fan Ruyue , Fu Shanshan , Zhang Ji , Matussek Andreas , Xiong Yanwen , Bai Xiangning
Published: February 2020

Shiga toxin-producing Escherichia coli (STEC) is an important foodborne pathogen. The increasing incidence of non-O157 STEC has posed a great risk to public health. Besides the Shiga toxin (Stx), the adherence factor, intimin, coded by eae gene plays a critical role in STEC pathogenesis. In this study, we investigated the prevalence and polymorphisms of eae gene in non-O157 STEC strains isolated from different sources in China. Among 735 non-O157 STEC strains, eae was present in 70 (9.5%) strains. Eighteen different eae genotypes were identified in 62 eae-positive STEC strains with the nucleotide identities ranging from 86.01% to 99.97%. Among which, seven genotypes were newly identified in this study. The eighteen eae genotypes can be categorized into five eae subtypes, namely β1, γ1, ε1, ζ3 and θ. Associations between eae subtypes/genotypes and serotypes as well as origins of strains were observed in this study. Strains belonging to serotypes O26:H11, O103:H2, O111:H8 are associated with particular eae subtypes, i.e., β1, ε1, θ, respectively. Most strains from diarrheal patients (7/9, 77.8%) carried eae-β1 subtype, while most isolates from cattle (23/26, 88.5%) carried eae-ζ3 subtype. This study demonstrated a genetic diversity of eae gene in non-O157 STEC strains from different sources in China.
Examining Reproductive Health Outcomes in Females Exposed to Polychlorinated Biphenyl and Polybrominated Biphenyl
Authors: Neblett Michael F. , Curtis Sarah W. , Gerkowicz Sabrina A. , Spencer Jessica B. , Terrell Metrecia L. , Jiang Victoria S. , Marder M. Elizabeth , Barr Dana Boyd , Marcus Michele , Smith Alicia K.
Published: February 2020

In 1973, accidental contamination of Michigan livestock with polybrominated biphenyls (PBBs) led to the establishment of a registry of exposed individuals that have been followed for > 40 years. Besides being exposed to PBBs, this cohort has also been exposed to polychlorinated biphenyls (PCBs), a structurally similar class of environmental pollutants, at levels similar to average US exposure. In this study, we examined the association between current serum PCB and PBB levels and various female reproductive health outcomes to build upon previous work and inconsistencies. Participation in this cross-sectional study required a blood draw and completion of a detailed health questionnaire. Analysis included only female participants who had participated between 2012 and 2015 (N = 254). Multivariate linear and logistic regression models were used to identify associations between serum PCB and PBB levels with each gynecological and infertility outcome. Additionally, a generalized estimating equation (GEE) model was used to evaluate each pregnancy and birth outcome in order to account for multiple pregnancies per woman. We controlled for age, body mass index, and total lipid levels in all analyses. A p-value of <0.05 was used for statistical significance. Among the women who reported ever being pregnant, there was a significant negative association with higher total PCB levels associating with fewer lifetime pregnancies ( β = −0.11, 95% CI = −0.21 to −0.005, p = 0.04). There were no correlations between serum PCB levels and the self-reported gynecological outcomes (pelvic inflammatory disease, endometriosis, polycystic ovarian syndrome, or uterine fibroids). No associations were identified between serum PCB levels and the prevalence of female infertility in women reporting ever having sexual intercourse with a male partner. There were no associations identified between serum PCB levels and pregnancy outcomes (singleton live births or miscarriages) or birth outcomes (preterm birth, birth weight, birth defects, hypertensive disorders of pregnancy, or gestational diabetes). PBB was not associated with any outcome. Further research is needed to determine if and how PCB may reduce pregnancy number.
Capture and light-induced release of antibiotics by an azo dye polymer
Authors: Atkins Stephen , Chueh Alysa , Barwell Taylor , Nunzi Jean-Michel , Seroude Laurent
Published: February 2020

The isomerisation of azo dyes can induce conformational changes which have potential applications in medicine and environmental protection. We developed an agar diffusion assay to test the capture and release of biologically active molecules from an azo electro-optic polymer, Poly (Disperse Red 1 methacrylate) (DR1/PMMA). The assay monitors the growth of bacteria placed in soft agar under a glass coverslip. Antibiotics can then be applied on the coverslip resulting in the clearance of the area under the coverslip due to growth inhibition. This assay demonstrates that DR1/PMMA is able to capture either tetracycline or ampicillin and the relative amount of DR1/PMMA required for capture was determined. Finally, the active antibiotics can be released from DR1/PMMA by exposure to green laser light. Exposure to white light from a torch or to heat does not release the antibiotic.
Stainless steel bipolar plate coated with polyaniline/Zn-Porphyrin composites coatings for proton exchange membrane fuel cell
Authors: Deyab M. A. , Mele G.
Published: February 2020

The proton exchange membrane fuel cells are the promising sustainable energy sources. The present study focuses on the enhancement the fuel cell performance and the protection of the stainless steel bipolar plate from the corrosion using polyaniline/Zn-Porphyrin composites coatings. The electrochemical properties (polarization and impedance) of the coated 303 stainless steel in 1.0 M H2SO4 solution have been evaluated. The coated 303 stainless steel by new composites exhibits the excellent anti-corrosion activity towards corrosive fuel cell electrolyte. The polyaniline/Zn-Porphyrin composite gives an excellent performance by adding 1.0% of Zn-Porphyrin. This composite improves the output power of the fuel cell.
Rapid and accurate identification of marine microbes with single-cell Raman spectroscopy
Authors: Liu Yaoyao , Xu Jingjing , Tao Yi , Fang Teng , Du Wenbin , Ye Anpei
Published: February 2020

Rapid and accurate identification of individual microorganisms using single-cell Raman spectra combining with one-dimensional convolutional neural networks.
A simplicity-guided cocktail approach toward multicolor fluorescent systems
Authors: Naren Gaowa , Li Shiming , Andréasson Joakim
Published: February 2020

Color-correlated changes in the fluorescence is demonstrated using a μM cocktail of two complementary emissive diarylethene photoswitches.
Lithium-ion coordination-induced conformational change of PEG chains in ionic-liquid-based electrolytes
Authors: Kamiyama Yuji , Shibata Masayuki , Kanzaki Ryo , Fujii Kenta
Published: February 2020

Li ion coordination-induced conformational change of poly(ethylene glycol) in ionic liquids.
New heteroleptic [Ni(ii) 1,1-dithiolate-phosphine] complexes: synthesis, characterization and electrocatalytic oxygen evolution studies
Authors: Anamika  , Yadav Dharmendra Kumar , Manar Krishna K. , Yadav Chote Lal , Kumar Kamlesh , Ganesan Vellaichamy , Drew Michael G. B. , Singh Nanhai
Published: February 2020

The structurally characterized four heteroleptic [Ni(ii) 1,1-dithiolate-phosphine] complexes have been investigated as electrocatalysts for Oxygen Evolution Reaction (OER) in basic medium.
Modification of 1D TiO2 nanowires with GaOxNy by atomic layer deposition for TiO2@GaOxNy core–shell nanowires with enhanced photoelectrochemical performance
Authors: Tao Jia-Jia , Ma Hong-Ping , Yuan Kai-Ping , Gu Yang , Lian Jian-Wei , Li Xiao-Xi , Huang Wei , Nolan Michael , Lu Hong-Liang , Zhang David-Wei
Published: February 2020

The excellent PEC activity of TiO2 nanowires with GaOxNy results from the enhanced light absorption, favourable band alignment, and high reducibility.
Enhancement in the performance of nanostructured CuO–ZnO solar cells by band alignment
Authors: Kaphle Amrit , Echeverria Elena , Mcllroy David N. , Hari Parameswar
Published: February 2020

Nanostructured ZnO/CuO photovoltaic cell with power conversion efficiency of 2.11%.
Developing technological pedagogical science knowledge through educational computational chemistry: a case study of pre-service chemistry teachers’ perceptions
Authors: Rodríguez-Becerra Jorge , Cáceres-Jensen Lizethly , Díaz Tatiana , Druker Sofía , Bahamonde Padilla Víctor , Pernaa Johannes , Aksela Maija
Published: February 2020

The purpose of this descriptive case study was to develop pre-service chemistry teachers’ Technological Pedagogical Science Knowledge (TPASK) through novel computational chemistry modules. The study consisted of two phases starting with designing a computational chemistry based learning environment followed by a case study where students’ perceptions towards educational computational chemistry were explored. First, we designed an authentic research-based chemistry learning module that supported problem-based learning through the utilisation of computational chemistry methods suitable for pre-service chemistry education. The objective of the learning module was to promote learning of specific chemistry knowledge and development of scientific skills. Systematic design decisions were made through the TPASK framework. The learning module was designed for a third-year physical chemistry course taken by pre-service chemistry teachers in Chile. After the design phase, the learning module was implemented in a course, and students’ perceptions were gathered using semi-structured group interviews. The sample consisted of 22 pre-service chemistry teachers. Data were analysed through qualitative content analysis using the same TPASK framework employed in the learning module design. Based on our findings, pre-service chemistry teachers first acquired Technological Scientific Knowledge (TSK) and then developed some elements of their TPASK. Besides, they highly appreciated the combination of student-centred problem-based learning and the use of computational chemistry tools. Students felt the educational computational learning environment supported their own knowledge acquisition and expressed an interest in applying similar learning environments in their future teaching careers. This case study demonstrates that learning through authentic real-world problems using educational computational methods offers great potential in supporting pre-service teachers’ instruction in the science of chemistry and pedagogy. For further research in the TPASK framework, we propose there would be significant benefit from developing new learning environments of this nature and evaluating their utility in pre-service and in-service chemistry teacher's education.
Dynamical self-assembly of dipolar active Brownian particles in two dimensions
Authors: Liao Guo-Jun , Hall Carol K. , Klapp Sabine H. L.
Published: February 2020

The interplay between self-propulsion, steric repulsion, and dipolar interactions leads to a variety of collective states, including chains, clusters, and flocking patterns.
Electrically controlled topological micro cargo transportation
Authors: Bhadwal A. S. , Mottram N. J. , Saxena A. , Sage I. C. , Brown C. V.
Published: February 2020

We demonstrate electrically controlled linear translation and precision positioning of a colloidal particle in a soft matter device.
Response of metal-coordination-based polyelectrolyte complex micelles to added ligands and metals
Authors: Wang Junyou , Guan Wenjun , Tan Tianhong , Saggiomo Vittorio , Cohen Stuart Martien A. , Velders Aldrik H.
Published: February 2020

Designed scenarios for investigating the dynamic properties of metal-coordination-based polyelectrolyte micelles by recording their response to added extra components including both ligands and metal ions.
Flexible and robust bimetallic covalent organic frameworks for the reversible switching of electrocatalytic oxygen evolution activity
Authors: Gao Zhi , Yu Zhiwu , Huang Yuxing , He Xiangqing , Su Xuemin , Xiao Longhui , Yu Yi , Huang Xinhui , Luo Feng
Published: February 2020

Reversible switching of OER performance is designed for the first time in COF materials through convenient phase transformationviaion exchange. This also facilitates to enhance atom utilization efficiency.
Nanostructure-based photoelectrochemical sensing platforms for biomedical applications
Authors: Qiu Zhenli , Tang Dianping
Published: February 2020

As a newly developed and powerful analytical method, the use of photoelectrochemical (PEC) biosensors opens up new opportunities to provide wide applications in the early diagnosis of diseases, environmental monitoring and food safety detection.
‘Click’ conjugated porous polymer nanofilm with a large domain size created by a liquid/liquid interfacial protocol
Authors: Komeda Joe , Shiotsuki Ryo , Rapakousiou Amalia , Sakamoto Ryota , Toyoda Ryojun , Iwase Kazuyuki , Tsuji Masaki , Kamiya Kazuhide , Nishihara Hiroshi
Published: February 2020

CuAAC between a triangular terminal alkyne and azide monomers at a water/dichloromethane interface generates a triazole-linked polymer nanofilm with a large aspect ratio. The nanofilm resists hydrolysis, and pyrolysis up to 300 °C.
VOPO4·2H2O as a new cathode material for rechargeable Ca-ion batteries
Authors: Wang Junjun , Tan Shuangshuang , Xiong Fangyu , Yu Ruohan , Wu Peijie , Cui Lianmeng , An Qinyou
Published: February 2020

The calcium-ion-storage mechanism of VOPO4·2H2O is studied by in situ XRD and in situ Raman for the first time.
Crystal engineering for electrochemical applications
Authors: Garnweitner Georg , Xue Dongfeng
Published: February 2020

Welcome to this themed issue of CrystEngComm entitled: ‘Crystal engineering for electrochemical applications’.
Rendering classical hydrophilic enantiopure Werner salts [M(en)3]n+nX−lipophilic (M/n= Cr/3, Co/3, Rh/3, Ir/3, Pt/4); new chiral hydrogen bond donor catalysts and enantioselectivities as a function of metal and charge
Authors: Maximuck William J. , Ganzmann Carola , Alvi Scheherzad , Hooda Karan R. , Gladysz John A.
Published: February 2020

The halide anions of enantiopure hydrophilic Werner complexes are replaced by BArf−, providing lipophilic catalysts for enantioselective reactions.
Ammonium hydroxide as the ultimate amino source for the synthesis of N-unprotected 3-tetrasubstituted aminooxindoles via catalyst-free direct amination
Authors: Yue Jing , Ma Xi-Tao , Liu Xiong-Li , Wang Jun-Xin , Liu Xiong-Wei , Zhou Ying
Published: February 2020

The direct use of ammonium hydroxide in amination for the synthesis of primary amines is considered to be one of the major challenges in synthetic organic chemistry.
Surface charge modulates the internalization vs. penetration of gold nanoparticles: comprehensive scrutiny on monolayer cancer cells, multicellular spheroids and solid tumors by SERS modality
Authors: Sujai Palasseri T. , Joseph Manu M. , Saranya Giridharan , Nair Jyothi B. , Murali Vishnu Priya , Maiti Kaustabh Kumar
Published: February 2020

Differential distribution of gold nanoparticles with respect to surface charges on monolayer cell culture, multicellular spheroids and in mouse models.
Construction of unique SCF3-containing building blocks via allylic alkylation of Morita–Baylis–Hillman adducts
Authors: Halder Priyanka , Pol Mahesh D. , Ahire Milind M. , Mhaske Santosh B.
Published: February 2020

Lewis base-catalyzed allylic alkylation of MBH adducts with α-SCF3 ketones has been demonstrated to provide an efficient access to a series of highly functionalized scaffolds featuring trifluoromethanesulfinyl motif on a stereogenic carbon.
Rational design of stapled peptides targeting phosphorylated GSK3β for regulating osteoclast differentiation
Authors: Liu Tairong , Cong Wei , Ye Lei , Xu Xike , Liao Xiufei , Xie Gang , Cheng Zhaoxi , Hu Honggang , Li Xiang , Liao Hongli
Published: February 2020

A series of stapled peptides targeting phosphorylated GSK3β were rationally designed and the corresponding biological activities were evaluated.
Synthesis, characterization and photo-catalytic activity of guar-gum-g-aliginate@silver bionanocomposite material
Authors: Hasan Imran , Khan Rais Ahmad , Alharbi Walaa , Alharbi Khadijah H. , Abu Khanjer Maymonah , Alslame Ali
Published: February 2020

The green mechanism for the synthesis of nanoparticles and their application to the wastewater treatment is of inordinate curiosity to the research community.
Synthesis of gemini ammonium sulfobetaine and its proppant suspension and gel-breaking mechanisms
Authors: Wang Tao , Xiao Jianhong , Wang Lushan , Ma Aiqing , Tian Mimi , Wang Chen
Published: February 2020

The novel gemini ammonium sulfobetaine is synthesized and its gel, proppant suspension and gel-breaking properties are studied.
Structural analysis of cross-linked poly(vinyl alcohol) using high-field DNP-NMR
Authors: Kanda Taiji , Kitawaki Mayuka , Arata Toshiaki , Matsuki Yoh , Fujiwara Toshimichi
Published: February 2020

Poly(vinyl alcohol) (PVOH) is a water-soluble synthetic polymer, widely used in materials for functional films and moldings, fiber fabric sizing agents, paper coating resins, and adhesives.
Highly efficient photoelectrochemical water oxidation enabled by enhanced interfacial interaction in 2D/1D In2S3@Bi2S3 heterostructures
Authors: Xiong Yuli , Yang Lin , Nandakumar Dilip Krishna , Yang Yibin , Dong Hongmei , Ji Xing , Xiao Peng , Tan Swee Ching
Published: February 2020

The interfacial interaction in the In2S3@Bi2S3 vdW heterostructure is beneficial for transferring photogenerated holes to the surface with efficient water oxidation.
The role of ultra-thin MnOx co-catalysts on the photoelectrochemical properties of BiVO4 photoanodes
Authors: Irani Rowshanak , Plate Paul , Höhn Christian , Bogdanoff Peter , Wollgarten Markus , Höflich Katja , van de Krol Roel , Abdi Fatwa F.
Published: February 2020

MnOx suppresses surface recombination by enhancing band bending on BiVO4, but direct contact with the FTO substrate provides shunting pathways.
Short-term variability and mass loss in Be stars
Authors: Borre C. C. , Baade D. , Pigulski A. , Panoglou D. , Weiss A. , Rivinius Th. , Handler G. , Moffat A. F. J. , Popowicz A. , Wade G. A. , Weiss W. W. , Zwintz K.
Published: February 2020

Context.Be stars are physically complex systems that continue to challenge theory to understand their rapid rotation, complex variability, and decretion disks.γCassiopeiae (γCas) is one such star but is even more curious because of its unexplained hard thermal X-ray emission.

Aims.We aim to examine the optical variability ofγCas and thereby to shed more light on its puzzling behaviour.

Methods.We analysed 321 archival Hαspectra from 2006 to 2017 to search for frequencies corresponding to the 203.5 day orbit of the companion. Space photometry from the SMEI satellite from 2003 to 2011 and the BRITE-Constellation of nano-satellites from 2015 to 2019 were investigated in the period range from a couple of hours to a few days.

Results.The orbital period of the companion of 203.5 days is confirmed with independent measurements from the structure of the Hαline emission. A strong blue versus red asymmetry in the amplitude distribution across the Hαemission line could hint at a spiral structure in the decretion disk. With the space photometry, the known frequency of 0.82 d−1is confirmed in data from the early 2000s. A higher frequency of 2.48 d−1is present in the data from 2015 to 2019 and possibly in the early 2000s as well. A third frequency at 1.25 d−1is proposed to exist in both SMEI and BRITE data. Seemingly, only a non-radial pulsation interpretation can explain all three variations. The two higher frequencies are incompatible with rotation.
Planetary nebulae seen with TESS: Discovery of new binary central star candidates from Cycle 1
Authors: Aller A. , Lillo-Box J. , Jones D. , Miranda L. F. , Barceló Forteza S.
Published: February 2020

Context. It has become clear in recent years that binarity plays a crucial role in many aspects of planetary nebulae (PNe), particularly with regard to the striking morphologies they exhibit. To date, there are nearly 60 known binary central stars of PNe (bCSPNe). However, both theory and observation indicate that this figure represents only the tip of the iceberg, with the Galactic PN population hosting orders of magnitude more stars.

Aims. We are involved in a search for new bCSPNe with the aim of enhancing the statistical validation of the key role of binarity in the formation and shaping of PNe. New discoveries of bCSPNe and their characterization carry important implications not only for understanding PN evolution, but also for studying binary evolution and the common-envelope phase, which is still poorly understood.

Methods. We used data from the TESS satellite to search for variability in the eight CSPNe that belong to the two-minute cadence of preselected targets in Cycle 1, with their available pipeline-extracted light curves. We identified strong periodicities and analysed them in the context of the binary scenario.

Results. All the CSPNe but one (Abell 15) show clear signs of periodic variability in TESS. The cause of this variability can be attributed to different effects, some of them requiring the presence of a companion star. We find simple sinusoidal modulations in several of the systems, compatible with irradiation effects. In addition, two of the central stars (PG 1034+001 and NGC 5189) also show photometric variations due to ellipsoidal variations and other signs of variability that are probably caused by star spots or relativistic Doppler-beaming. The case of the well-studied Helix Nebula is of particular interest; here we constructed a series of binary models to explain the modulations we see in the light curve. We find that the variability constrains the possible companion to be very low-mass main-sequence star or sub-stellar object. We also identify, in substantial detail, the individual pulsation frequencies of NGC 246.
Spectral and atmospheric characterisation of a new benchmark brown dwarf HD 13724 B
Authors: Rickman E. L. , Ségransan D. , Hagelberg J. , Beuzit J.-L. , Cheetham A. , Delisle J.-B. , Forveille T. , Udry S.
Published: February 2020

Context. HD 13724 is a nearby solar-type star at 43.48 ± 0.06 pc hosting a long-period low-mass brown dwarf detected with the CORALIE echelle spectrograph as part of the historical CORALIE radial-velocity search for extra-solar planets. The companion has a minimum mass of 26.77−2.2+4.4 MJup and an expected semi-major axis of ~240 mas making it a suitable target for further characterisation with high-contrast imaging, in particular to measure its inclination, mass, and spectrum and thus establish its substellar nature.

Aims. Using high-contrast imaging with the SPHERE instrument on the Very Large Telescope (VLT), we are able to directly image a brown dwarf companion to HD 13724 and obtain a low-resolution spectrum.

Methods. We combine the radial-velocity measurements of CORALIE and HARPS taken over two decades and high-contrast imaging from SPHERE to obtain a dynamical mass estimate. From the SPHERE data we obtain a low-resolution spectrum of the companion from Y to J band, as well as photometric measurements from IRDIS in the J, H, and K bands.

Results. Using high-contrast imaging with the SPHERE instrument at the VLT, we report the first images of a brown dwarf companion orbiting the host star HD 13724. It has an angular separation of 175.6 ± 4.5 mas and an H-band contrast of 10.61 ± 0.16 mag, and using the age estimate of the star to be ~1 Gyr gives an isochronal mass estimate of ~44 MJup. By combining radial-velocity and imaging data we also obtain a dynamical mass of 50.5−3.5+3.3 MJup. Through fitting an atmospheric model, we estimate a surface gravity of logg = 5.5 and an effective temperature of 1000 K. A comparison of its spectrum with observed T dwarfs estimates a spectral type of T4 or T4.5, with a T4 object providing the best fit.