bluuebunny/crossref_metadata_2025 huggingface dataset:
Using mathematical modelling to investigate the adaptive divergence of whitefish in Fennoscandia
Authors: Thibert-Plante Xavier , Præbel Kim , Østbye Kjartan , Kahilainen Kimmo K. , Amundsen Per-Arne , Gavrilets Sergey
Published: April 2020

Modern speciation theory has greatly benefited from a variety of simple mathematical models focusing on the conditions and patterns of speciation and diversification in the presence of gene flow. Unfortunately the application of general theoretical concepts and tools to specific ecological systems remains a challenge. Here we apply modeling tools to better understand adaptive divergence of whitefish during the postglacial period in lakes of northern Fennoscandia. These lakes harbor up to three different morphs associated with the three major lake habitats: littoral, pelagic, and profundal. Using large-scale individual-based simulations, we aim to identify factors required forin situemergence of the pelagic and profundal morphs in lakes initially colonized by the littoral morph. The importance of some of the factors we identify and study - sufficiently large levels of initial genetic variation, size- and habitat-specific mating, sufficiently large carrying capacity of the new niche - is already well recognized. In addition, our model also points to two other factors that have been largely disregarded in theoretical studies: fitness-dependent dispersal and strong predation in the ancestral niche coupled with the lack of it in the new niche(s). We use our theoretical results to speculate about the process of diversification of whitefish in Fennoscandia and to identify potentially profitable directions for future empirical research.
Review Global seroprevalence of legionellosis - a systematic review and meta-analysis
Authors: Graham Frances F. , Hales Simon , White Paul S. , Baker Michael G.
Published: April 2020

Legionellais a ubiquitous pathogen yet the global occurrence of legionellosis is poorly understood. To address this deficit, this paper summarises the available evidence on the seroprevalence ofLegionellaantibodies and explores factors that may influence seroprevalence estimates. Through a systematic review, a total of 3979 studies were identified with seroprevalence results published after 1 January 1990. We tabulated findings by World Health Organization (WHO) region, location, study period and design, composition of study population(s) for all ages in terms of exposure, sex, detection methods, IFA titre,Legionellaspecies measured, and present seroprevalence point estimates and 95% confidence intervals. Sampled populations were classified according to income, WHO region, gender, age, occupation and publication date. We conducted a meta-analysis on these subgroups using Comprehensive Meta-Analysis 3.0 software. Heterogeneity across studies was evaluated by the Q test in conjunction withI2statistics. Publication bias was evaluated via funnel plot and Egger’s test. Fifty-seven studies met our inclusion criteria, giving an overall estimate of seroprevalence forLegionellaof 13.7% (95% CI 11.3–16.5), but with substantial heterogeneity across studies.
Genomic copy number variation correlates with survival outcomes in WHO grade IV glioma
Authors: Buchwald Zachary S. , Tian Sibo , Rossi Michael , Smith Geoffrey H. , Switchenko Jeffrey , Hauenstein Jennifer E. , Moreno Carlos S. , Press Robert H. , Prabhu Roshan S. , Zhong Jim , Saxe Debra F. , Neill Stewart G. , Olson Jeffrey J. , Crocker Ian R. , Curran Walter J. , Shu Hui-Kuo G.
Published: April 2020

Allele-specific copy number analysis of tumors (ASCAT) assesses copy number variations (CNV) while accounting for aberrant cell fraction and tumor ploidy. We evaluated if ASCAT-assessed CNV are associated with survival outcomes in 56 patients with WHO grade IV gliomas. Tumor data analyzed by Affymetrix OncoScan FFPE Assay yielded the log ratio (R) and B-allele frequency (BAF). Input into ASCAT quantified CNV using the segmentation function to measure copy number inflection points throughout the genome. Quantified CNV was reported as log R and BAF segment counts. Results were confirmed on The Cancer Genome Atlas (TCGA) glioblastoma dataset. 25 (44.6%) patients had MGMT hyper-methylated tumors, 6 (10.7%) were IDH1 mutated. Median follow-up was 36.4 months. Higher log R segment counts were associate with longer progression-free survival (PFS) [hazard ratio (HR) 0.32, p < 0.001], and overall survival (OS) [HR 0.45, p = 0.01], and was an independent predictor of PFS and OS on multivariable analysis. Higher BAF segment counts were linked to longer PFS (HR 0.49, p = 0.022) and OS (HR 0.49, p = 0.052). In the TCGA confirmation cohort, longer 12-month OS was seen in patients with higher BAF segment counts (62.3% vs. 51.9%, p = 0.0129) and higher log R (63.6% vs. 55.2%, p = 0.0696). Genomic CNV may be a novel prognostic biomarker for WHO grade IV glioma patient outcomes.
Nested structure of intraspecific competition network in Carnobacterium maltaromaticum
Authors: Ramia Nancy E. , Mangavel Cécile , Gaiani Claire , Muller-Gueudin Aurélie , Taha Samir , Revol-Junelles Anne-Marie , Borges Frédéric
Published: April 2020

While competition targeting food-borne pathogens is being widely documented, few studies have focused on competition among non-pathogenic food bacteria. Carnobacterium maltaromaticum is a genetically diverse lactic acid bacterium known for comprising several bacteriocinogenic strains with bioprotective potentialities against the food-borne pathogen Listeria monocytogenes. The aim of our study is to examine the network properties of competition among a collection of 73 strains of C. maltaromaticum and to characterize their individual interaction potential. The performed high-throughput competition assays, investigating 5 329 pairwise interactions, showed that intraspecific competition was major in C. maltaromaticum with approximately 56% of the sender strains antagonizing at least one receiver strain. A high diversity of inhibitory and sensitivity spectra was identified along with a majority of narrow inhibitory as well as sensitivity spectra. Through network analysis approach, we determined the highly nested architecture of C. maltaromaticum competition network, thus showing that competition in this species is determined by both the spectrum width of the inhibitory activity of sender strains and the spectrum width of the sensitivity of receiver strains. This study provides knowledge of the competition network in C. maltaromaticum that could be used in rational assembly of compatible microbial strains for the design of mixed starter cultures.
Appraising the role of circulating concentrations of micro-nutrients in epithelial ovarian cancer risk: A Mendelian randomization analysis
Authors: Guo Yan , Lu Yunlong , Jin Hongchuan
Published: April 2020

To determine the causality of micro-nutrients concentrations and risk of ovarian cancer using the Mendelian randomization approach. Analyses were conducted using summary statistics data for SNPs robustly associated with concentrations of thirteen micro-nutrients (iron, copper, zinc, calcium, magnesium, phosphorus, selenium, vitamin A, β-carotene, vitamin B6, vitamin B12, vitamin E, folate). The corresponding data for ovarian cancer were obtained from the Ovarian Cancer Association Consortium (25,509 cases and 40,941 controls). In standard Mendelian randomization analysis, the odds ratios (OR) of invasive epithelial ovarian cancer were 0.14 (95% CI, 0.03–0.70; P = 0.02) per 0.1 mmol/L (about one standard deviation, SD) increase in genetically predicted magnesium concentration, 1.04 (95% CI, 1.00–1.09; P = 0.03) per 0.3 μmol/liter (about one SD) increase in genetically predicted β-carotene concentration. The OR of low malignant potential tumours were 0.82 (95% CI, 0.76–0.90; P = 1.01 × 10−5) per 0.3 μmol/liter (about one SD) increase in β-carotene concentration, 1.42 (95% CI, 1.21–1.68; P = 3 × 10−5) per 153 pmol/L (about one SD) increase in vitamin B12 concentration, 0.21 (95% CI, 0.06–0.76; P = 0.02) per 6 mg/L (about one SD) increase in vitamin E concentration. No significant associations of other micro-nutrients and ovarian cancer were observed. This study found that an increased risk of invasive epithelial ovarian cancer was observed with a genetically higher concentration of β-carotene, whereas a decreased risk of invasive epithelial ovarian cancer was found with a higher concentration of magnesium. As for low malignant potential tumours, increased concentration of vitamin B12 could increase the risk of low malignant potential tumours, while increased concentrations of β-carotene and vitamin E could lower the risk of low malignant potential tumours.
Causal contributions of human frontal eye fields to distinct aspects of decision formation
Authors: Murd Carolina , Moisa Marius , Grueschow Marcus , Polania Rafael , Ruff Christian C.
Published: April 2020

Several theories propose that perceptual decision making depends on the gradual accumulation of information that provides evidence in favour of one of the choice-options. The outcome of this temporally extended integration process is thought to be categorized into the ‘winning’ and ‘losing’ choice-options for action. Neural correlates of corresponding decision formation processes have been observed in various frontal and parietal brain areas, among them the frontal eye-fields (FEF). However, the specific functional role of the FEFs is debated. Recent studies in humans and rodents provide conflicting accounts, proposing that the FEF either accumulate the choice-relevant information or categorize the outcome of such evidence integration into discrete actions. Here, we used transcranial magnetic stimulation (TMS) on humans to interfere with either left or right FEF activity during different timepoints of perceptual decision-formation. Stimulation of either FEF affected performance only when delivered during information integration but not during subsequent categorical choice. However, the patterns of behavioural changes suggest that the left-FEF contributes to general evidence integration, whereas right-FEF may direct spatial attention to the contralateral hemifield. Taken together, our results indicate an FEF involvement in evidence accumulation but not categorization, and suggest hemispheric lateralization for this function in the human brain.
Improved Non-Grignard Electrolyte Based on Magnesium Borate Trichloride for Rechargeable Magnesium Batteries
Authors: Sato Kazuhiko , Mori Goro , Kiyosu Takahiro , Yaji Toyonari , Nakanishi Koji , Ohta Toshiaki , Okamoto Kuniaki , Orikasa Yuki
Published: April 2020

The high anodic stability of electrolytes for rechargeable magnesium batteries enables the use of new positive electrodes, which can contribute to an increase in energy density. In this study, novel Ph3COMgCl-, Ph3SiOMgCl-, and B(OMgCl)3-based electrolytes were prepared with AlCl3 in triglyme. The Ph3COMgCl-based electrolyte showed anodic stability over 3.0 V vs. Mg but was chemically unstable, whereas the Ph3SiOMgCl-based electrolyte was chemically stable but featured lower anodic stability than the Ph3COMgCl-based electrolyte. Advantageously, the B(OMgCl)3-based electrolyte showed both anodic stability over 3.0 V vs. Mg (possibly due to the Lewis acidic nature of B in B(OMgCl)3) and chemical stability (possibly due to the hard acid character of B(OMgCl)3). B(OMgCl)3, which was prepared by reacting boric acid with a Grignard reagent, was characterized by nuclear magnetic resonance (NMR) spectroscopy, Fourier-transform infrared spectroscopy (FTIR), and X-ray absorption spectroscopy (XAS). The above analyses showed that B(OMgCl)3 has a complex structure featuring coordinated tetrahydrofuran molecules. 27Al NMR spectroscopy and Al K-edge XAS showed that when B(OMgCl)3 was present in the electrolyte, AlCl3 and AlCl2+ species were converted to AlCl4−. Mg K-edge XAS showed that the Mg species in B(OMgCl)3-based electrolytes are electrochemically positive. As a rechargeable magnesium battery, the full cell using the B(OMgCl)3-based electrolyte and a Mo6S8 Chevrel phase cathode showed stable charge-discharge cycles. Thus, B(OMgCl)3-based electrolytes, the anodic stability of which can be increased to ~3 V by the use of appropriate battery materials, are well suited for the development of practical Mg battery cathodes.
Aluminum tolerance mechanisms in Kenyan maize germplasm are independent from the citrate transporter ZmMATE1
Authors: Matonyei Thomas K. , Barros Beatriz A. , Guimaraes Roberta G. N. , Ouma Evans O. , Cheprot Reuben K. , Apolinário Leandro C. , Ligeyo Dickson O. , Costa Marcella B. R. , Were Beatrice A. , Kisinyo Peter O. , Onkware Augustino O. , Noda Roberto W. , Gudu Samuel O. , Magalhaes Jurandir V. , Guimaraes Claudia T.
Published: April 2020

Aluminum (Al) toxicity on acid soils adversely affects maize yields, which can be overcome by combining soil amendments with genetic tolerance. In maize, ZmMATE1 confers Al tolerance via Al-activated citrate release, whereby citrate forms non-toxic complexes with Al3+ in the rhizosphere. Here, we investigated Al tolerance mechanisms in maize germplasm originated from Kenya based on quantitative trait loci (QTL) mapping. Five QTLs and four epistatic interactions explained ~51% of the phenotypic variation for Al tolerance. The lack of Al tolerance QTL on chromosome 6 and the much lower expression of ZmMATE1 in both Kenyan lines than in Cateto Al237, which donates the superior allele of ZmMATE1, strongly indicate that this gene does not play a significant role in Al tolerance in neither parent. In turn, maize homologs to genes previously implicated in Al tolerance in other species, ZmNrat1, ZmMATE3, ZmWRKY and ZmART1, co-localized with Al tolerance QTL and were more highly expressed in the parent that donate favorable QTL alleles. However, these candidate genes will require further studies for functional validation on maize Al tolerance. The existence of Al tolerance mechanisms independent from ZmMATE1 suggests it is possible to develop highly Al tolerant cultivars by pyramiding complementary Al tolerance genes in maize.
Intercropping kura clover with prairie cordgrass mitigates soil greenhouse gas fluxes
Authors: Abagandura Gandura Omar , Sekaran Udayakumar , Singh Shikha , Singh Jasdeep , Ibrahim Mostafa A. , Subramanian Senthil , Owens Vance N. , Kumar Sandeep
Published: April 2020

Prairie cordgrass (PCG) (Spartina pectinata Link) has a high tolerance to soil salinity and waterlogging, therefore, it can thrive on marginal lands. Optimizing the nitrogen (N) input is crucial to achieving desirable biomass production of PCG without negatively impacting the environment. Thus, this study was based on the hypothesis that the use of legumes such as kura clover (Trifolium ambiguum M. Bieb.) (KC) as an intercrop with PCG can provide extra N to the crop reducing the additional N fertilizer and mitigating soil surface greenhouse gas (GHG) emissions. Specific objective of the study was to assess the impact of PCG managed with different N rates [0 kg N ha−1 (PCG-0N), 75 kg N ha−1 (PCG-75N), 150 kg N ha−1 (PCG-150N), and 225 kg N ha−1 (PCG-255N)], and PCG intercropped with KC (PCG-KC) on GHG fluxes and biomass yield. The experimental site was established in 2010 in South Dakota under a marginally yielding cropland. The GHG fluxes were measured from 2014 through 2018 growing seasons using the static chamber. Net global warming potential (GWP) was calculated. Data showed that cumulative CH4 and CO2 fluxes were similar for all the treatments over the study period. However, the PCG-KC, PCG-0N, and PCG-75N recorded lower cumulative N2O fluxes (384, 402, and 499 g N ha−1, respectively) than the PCG-150N (644 g N ha−1) and PCG-255N (697 g N ha−1). The PCG-KC produced 85% and 39% higher yield than the PCG-0N in 2016 and 2017, respectively, and similar yield to the other treatments (PCG-75N, PCG-150N, and PCG-255N) in these years. Net GWP was 52% lower for the PCG-KC (112.38 kg CO2-eq ha−1) compared to the PCG-225N (227.78 kg CO2-eq ha−1), but similar to other treatments. Soil total N was 15%% and 13% higher under PCG-KC (3.7 g kg−1) than that under PCG-0N (3.2 g kg−1) and PCG-75N (3.3 g kg−1), respectively. This study concludes that intercropping prairie cordgrass with kura clover can enhance biomass yield and reduce fertilizer-derived N2O emissions and net global warming potential.
The nano-structural inhomogeneity of dynamic hydrogen bond network of TIP4P/2005 water
Authors: Belosludov Vladimir , Gets Kirill , Zhdanov Ravil , Malinovsky Valery , Bozhko Yulia , Belosludov Rodion , Surovtsev Nikolay , Subbotin Oleg , Kawazoe Yoshiyuki
Published: April 2020

A method for studying the time dependence of the short-range molecular order of water has been proposed. In the present study, water is considered as a dynamic network between molecules at distances not exceeding 3.2 Å. The instantaneous configurations obtained with the molecular dynamics method have been sequentially analyzed. The mutual orientation of each molecule with its neighboring molecules has been studied and the interaction energy of each pair of neighbor molecules has been calculated. The majority of mutual orientation angles between molecules lie in the interval [0°; 20°]. More than 85% of the molecular pairs in each instantaneous configuration form H-bonds and the H-bond network includes all water molecules in the temperature range 233–293 K. The number of H-bonds fluctuates near the mean value and increases with decreasing temperature, and the energy of the vast majority of such bonds is much higher than the thermal energy. The interaction energy of 80% of the H-bonding molecular pairs lies in the interval [−7; −4] kcal/mol. The interaction energy of pairs that do not satisfy the H-bond angle criterion lies in the interval [−5; 4] kcal/mol; the number of such bonds does not exceed 15% and decreases with decreasing temperature. For the first time it has been found that in each instantaneous configuration the H-bond network contains built-in nanometric structural heterogeneities formed by shorter H-bonds. The fraction of molecules involved in the structural heterogeneities increases from 40% to 60% with a temperature decrease from 293 K to 233 K. Each heterogeneity has a finite lifetime and changeable structure, but they are constantly present during the entire simulation time.
Vitamin D receptor promotes healthy microbial metabolites and microbiome
Authors: Chatterjee Ishita , Lu Rong , Zhang Yongguo , Zhang Jilei , Dai Yang , Xia Yinglin , Sun Jun
Published: April 2020

Microbiota derived metabolites act as chemical messengers that elicit a profound impact on host physiology. Vitamin D receptor (VDR) is a key genetic factor for shaping the host microbiome. However, it remains unclear how microbial metabolites are altered in the absence of VDR. We investigated metabolites from mice with tissue-specific deletion of VDR in intestinal epithelial cells or myeloid cells. Conditional VDR deletion severely changed metabolites specifically produced from carbohydrate, protein, lipid, and bile acid metabolism. Eighty-four out of 765 biochemicals were significantly altered due to the Vdr status, and 530 significant changes were due to the high-fat diet intervention. The impact of diet was more prominent due to loss of VDR as indicated by the differences in metabolites generated from energy expenditure, tri-carboxylic acid cycle, tocopherol, polyamine metabolism, and bile acids. The effect of HFD was more pronounced in female mice after VDR deletion. Interestingly, the expression levels of farnesoid X receptor in liver and intestine were significantly increased after intestinal epithelial VDR deletion and were further increased by the high-fat diet. Our study highlights the gender differences, tissue specificity, and potential gut-liver-microbiome axis mediated by VDR that might trigger downstream metabolic disorders.
Feasibility and effects of enhanced recovery vs. conventional care after emergency colon surgery for patients with left colon perforation
Authors: Viñas X. , Macarulla E. , Brugiotti C. , Ramirez J. M. , Pedregosa A. , Sanchez S. , Camps J. , Arroyo A.
Published: April 2020

The impact of an enhanced recovery after surgery (ERAS) programme in emergency colorectal surgery has not yet been reported. The objective of this study was to evaluate the feasibility and the results of patients included in an ERAS protocol following emergency colon surgery for left colon perforation. For this purpose, patients with a low to moderate risk of mortality, according to a Peritonitis Severity Score (PSS), and treated with an ERAS protocol (ERAS group) after emergency surgery for left colon perforation were compared for a period of 40 months (March 2014–June 2017) with a control group of patients treated with conventional care (CC group) during the 38 months prior to implementation of the new ERAS protocol (January 2011–February 2014). The main endpoint was 90-day postoperative morbidity according to the Clavien–Dindo classification. Secondary endpoints included length of postoperative hospital stay, 90-day readmission rate, protocol compliance and mortality. Fifty patients were included in the study, 29 in the ERAS group and 21 in the CC group. There were no significant differences between the groups in the demographic data or in the operative characteristics. A reduction in the incidence of postoperative complications (20.7% vs. 38%; p > 0.05) and in the postoperative hospital stay (7.7 + /- 3.85 vs. 10.9 + /- 5.6 days; p = 0.009) were observed in the ERAS group. The 90-day readmission rate did not differ significantly between the two groups (2 vs. 1). No 90-day mortality was observed in either group. The ERAS group showed better results than the CC group in protocol compliance. We conclude that ERAS protocols are feasible and help to reduce morbidity and length of hospital stay without adversely affecting the rate of readmission or mortality.
Tunneling induced two-dimensional phase grating in a quantum well nanostructure via third and fifth orders of susceptibility
Authors: Vafafard Azar , Sahrai Mostafa , Hamedi Hamid Reza , Asadpour Seyyed Hossein
Published: April 2020

We study the nonlinear optical properties in an asymmetric double AlGaAs/GaAs quantum well nanostructure by using an external control field and resonant tunneling effects. It is found that the resonant tunneling can modulate the third-order and fifth-order of susceptibilities via detuning frequency of coupling light. In presence of the resonant tunneling and when the coupling light is in resonance with the corresponding transition, the real parts of third-order and fifth-order susceptibilities are enhanced which are accompanied by nonlinear absorption. However, in off-resonance of coupling light, real parts of third-order and fifth-order susceptibilities enhance while the nonlinear absorption vanishes. We investigate also the two-dimensional electromagnetically induced grating (2D-EIG) of the weak probe light by modulating the third-order and fifth-order susceptibilities. In resonance of coupling light, both amplitude and phase grating are formed in the medium due to enhancement of third-order and fifth-order probe absorption and dispersion. When the coupling light is out of resonance, most of probe energy is transferred from zero-order to higher-order directions due to resonant tunneling effect. The efficiency of phase grating for third-order of susceptibility is higher than phase grating for fifth-order susceptibility. Our proposed model may be useful for optical switching and optical sensors based on semiconductor nanostructures.
Impact of season on the association between vitamin D levels at diagnosis and one-year remission in early Rheumatoid Arthritis
Authors: Herly M. , Stengaard-Pedersen K. , Vestergaard P. , Christensen R. , Möller S. , Østergaard M. , Junker P. , Hetland M. L. , Hørslev-Petersen K. , Ellingsen T.
Published: April 2020

The study evaluates associations between serum vitamin D metabolites at diagnosis and one-year remission, in early diagnosed rheumatoid arthritis(RA). The CIMESTRA-cohort comprised 160 newly diagnosed RA patients, treated aiming at remission. Vitamin D supplementation was recommended according to national guidelines. Dtotal(25OHD2 + 25OHD3) was dichotomized at 50 nmol/L, 1,25(OH)2D was categorized in tertiles. Primary outcome was remission(DAS28-CRP ≤ 2.6) after one year. Associations were evaluated using logistic regression, further adjusted for pre-specified potential confounders: Age, sex, symptom-duration before diagnosis, DAS28-CRP and season of diagnosis. Results are presented as Odds Ratios(OR) with 95% Confidence Intervals(95%CIs). In univariate analyses, neither Dtotal nor 1,25(OH)2D were associated with remission. In adjusted analyses, low Dtotal was associated with higher odds for remission; OR 2.6, 95%CI (1.1; 5.9) p = 0.03, with season impacting results the most. One-year remission was lower in patients with diagnosis established at winter. In conclusion, low Dtotal at diagnosis was associated with increased probability of achieving one-year remission in early RA when adjusting for covariates. Diagnosis in winter was associated with lower odds for one-year remission. Results suggest that season act as a contextual factor potentially confounding associations between vitamin D and RA disease-course. The finding of low Dtotal being associated with higher one-year remission remains speculative.
Comprehensive analysis of the SLC16A gene family in pancreatic cancer via integrated bioinformatics
Authors: Yu Shan , Wu Yanshuang , Li Chunlong , Qu Zhaowei , Lou Ge , Guo Xiaorong , Ji Jingjing , Li Nan , Guo Mian , Zhang Maomao , Lei Lei , Tai Sheng
Published: April 2020

SLC16A family members play crucial roles in tumorigenesis and tumor progression. However, the exact role of distinct members in the SLC16A family in human pancreatic cancer remains unclear. Integrated bioinformatics analysis for the identification of therapeutic targets for certain cancers based on transcriptomics, proteomics and high-throughput sequencing could help us obtain novel information and understand potential underlying molecular mechanisms. In the present study, we investigated SLC16A family members in pancreatic cancer through accumulated data from GEO (Gene Expression Omnibus), TCGA (The Cancer Genome Atlas) and other available databases. The expression profile, clinical application significance and prognostic value of the SLC16A family for patients with pancreatic cancer were explored. SLC16A1, SLC16A3 and SLC16A13 exhibited biomarker potential for prognosis, and we further identified their related genes and regulatory networks, revealing core molecular pathways that require further investigation for pancreatic cancer.
Exploratory Data Analysis of Adverse Birth Outcomes and Exposure to Oxides of Nitrogen Using Interactive Parallel Coordinates Plot Technique
Authors: Mitku Aweke A. , Zewotir Temesgen , North Delia , Naidoo Rajen N.
Published: April 2020

We propose that a parallel coordinates plot can be used to study multidimensional data particularly to explore discovery of patterns across the variables. This can assist researchers from the health sciences to visualize their cohort data with interactive data analysis. The study used data from Mother and Child in the Environment birth cohort in Durban, South Africa for the period 2013 to 2017 retrospectively registered. In this paper, we demonstrate that the exploration of multidimensional data with parallel coordinates plot and use of brushing using different colours assists with the identification of relationships and patterns. Parallel coordinates plot visualization facilitates the researcher’s skills to find trends, identify outliers and perform quality checks in large multivariate data. We have identified trends in the data that provide directions for further research, and illustrated thereby the potential of parallel coordinates plot to explore patterns and relationships of prenatal oxides of nitrogen exposure with multidimensional birth outcomes. The study recognized the co-occurrence of adverse birth outcomes among infants and these infants had mothers with moderate to high level of NOx exposure during pregnancy. Brushing using different colours facilitated the detection of patterns of relationships to perform basic and advanced statistical model-based analysis.
Polymorphisms in PARP1 predict disease-free survival of triple-negative breast cancer patients treated with anthracycline/taxane based adjuvant chemotherapy
Authors: Liao Yuqian , Liao Yulu , Li Jun , Xiong Jianping , Fan Ying
Published: April 2020

Triple-negative breast cancer (TNBC) is a highly aggressive disease and of poor prognosis. It is very important to identify novel biomarkers to predict therapeutic response and outcome of TNBC. We investigated the association between polymorphisms in PARP1 gene and clinicopathological characteristics or survival of 272 patients with stage I-III primary TNBC treated with anthracycline/taxane based adjuvant chemotherapy. We found that after adjusted by age, grade, tumor size, lymph node status and vascular invasion, rs7531668 TA genotype carriers had significantly better DFS rate than TT genotype carriers, the 5 y DFS was 79.3% and 69.2% (P = 0.046, HR 0.526 95% CI 0.280–0.990). In lymph node negative subgroup, DFS of rs6664761 CC genotype carriers was much better than TT genotype carriers (P = 0.016, HR 0.261 95% CI 0.088–0.778) and DFS of rs7531668 AA genotype carriers was shorter than TT genotype carriers (P = 0.015, HR 3.361 95% CI 1.259–8.969). In subgroup of age ≤ 50, rs6664761 TC genotype predicted favorable DFS than TT genotype (P = 0.042, HR 0.405 95% CI 0.170–0.967). Polymorphisms in PARP1 gene had no influence on treatment toxicities. After multivariate analysis, tumor size (P = 0.037, HR = 2.829, 95% CI: 1.063–7.525) and lymph node status (P < 0.001, HR = 9.943, 95% CI: 2.974–33.243) were demonstrated to be independent prognostic factors. Our results suggested that polymorphisms in PARP1 gene might predict the DFS of TNBC patients treated with anthracycline/taxane based adjuvant chemotherapy.
Author Correction: The Effect of a Substrate Material on Composition Gradients of Fe-Ni Films obtained by Electrodeposition
Authors: Białostocka Anna Maria , Klekotka Urszula , Kalska-Szostko Beata
Published: April 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Synthesis of seven-membered lactones by regioselective and stereoselective iodolactonization of electron-deficient olefins
Authors: Tang Pan-Ting , Shao You-Xiang , Wang Liang-Neng , Wei Yi , Li Ming , Zhang Ni-Juan , Luo Xiao-Peng , Ke Zhuofeng , Liu Yue-Jin , Zeng Ming-Hua
Published: April 2020

A regio- and stereoselective iodolactonization of electron-deficient olefinic acids has been reported, which provides a straightforward access to seven-membered lactones with two consecutive chiral centers.
Multivariate analysis of the exposure and hazard of ceria nanomaterials in indoor aquatic mesocosms
Authors: Nassar Mohammad , Auffan Mélanie , Santaella Catherine , Masion Armand , Rose Jérôme
Published: April 2020

Associating mesocosm experimentations with multivariate analyses to identify the parameters governing the behavior and impact of nanomaterials on aquatic ecosystems.
iTRAQ-based proteomic analysis reveals several key metabolic pathways associated with male sterility in Salvia miltiorrhiza
Authors: Wang Ruihong , Lu Congyu , Shu Zhiming , Yuan Xinbo , Jiang Han , Guo Hongbo
Published: April 2020

Male sterility is a common phenomenon in flowering plants, and it has been widely used in hybrid seed production in a number of economically important crops.
Bioprocessing of soybeans (Glycine max L.) by solid-state fermentation with Eurotium cristatum YL-1 improves total phenolic content, isoflavone aglycones, and antioxidant activity
Authors: Chen Yulian , Wang Yuanliang , Chen Jiaxu , Tang Hao , Wang Chuanhua , Li Zongjun , Xiao Yu
Published: April 2020

Solid-state bioprocessing with Eurotium cristatum is an effective approach for the enhancement of total phenolic content, isoflavone aglycones, and antioxidant activity of soybeans.
Self-assembled nucleo-tripeptide hydrogels provide local and sustained doxorubicin release
Authors: Baek Kiheon , Noblett Alexander David , Ren Pengyu , Suggs Laura J.
Published: April 2020

Doxorubicin is intercalated within the nanofibril structure of self-assembled nucleo-peptide hydrogels and injection leads to decrease in tumor volume and greater concentration of chemotherapeutic relative to soluble form.
Cation exchange assisted synthesis of ZnCdSe/ZnSe quantum dots with narrow emission line widths and near-unity photoluminescence quantum yields
Authors: Jin Xiao , Xie Kanlin , Zhang Tingting , Lian Huada , Zhang Zhenghe , Xu Bing , Li Dongyu , Li Qinghua
Published: April 2020

ZnCdSe/ZnSe quantum dots reveal a notable FWHM of 17.1 nm with a near-unity PL QY at 631 nm.
Targeting nucleic acids with a G-triplex-to-G-quadruplex transformation and stabilization using a peptide–PNA G-tract conjugate
Authors: Wen Cui-jiao , Gong Jia-yuan , Zheng Ke-wei , He Yi-de , Zhang Jia-yu , Hao Yu-hua , Tan Zheng
Published: April 2020

The synergy between two recognizing units in a bi-functional peptide–PNA G-tract conjugate recognizes a three guanine-tracts motif to form an extra stable bimolecular complex, resulting in highly potent and selective interference to DNA metabolism.
Rotational–vibrational resonance states
Authors: Császár Attila G. , Simkó Irén , Szidarovszky Tamás , Groenenboom Gerrit C. , Karman Tijs , van der Avoird Ad
Published: April 2020

All molecular systems possess a significant number of rovibrational resonance states accessibleviaspectroscopic and scattering experiments, which can also be computed and rationalized by a variety of first-principles quantum-chemical techniques.
Raman spectrum and polarizability of liquid water from deep neural networks
Authors: Sommers Grace M. , Calegari Andrade Marcos F. , Zhang Linfeng , Wang Han , Car Roberto
Published: April 2020

Using deep neural networks to model the polarizability and potential energy surfaces, we compute the Raman spectrum of liquid water at several temperatures with ab initio molecular dynamics accuracy.
Frontiers in molecular simulation of solvated ions, molecules and interfaces
Authors: Blumberger J. , Gaigeot M.-P. , Sulpizi M. , Vuilleumier R.
Published: April 2020

This themed collection is a collection of articles on frontiers in molecular simulation of solvated ions, molecules and interfaces.
Importance of the decoration in shaped cobalt nanoparticles in the acceptor-less secondary alcohol dehydrogenation
Authors: Kaźmierczak Kamila , Ramamoorthy Raj Kumar , Moisset Arthur , Viau Guillaume , Viola Arnaud , Giraud Marion , Peron Jennifer , Sicard Lorette , Piquemal Jean-Yves , Besson Michèle , Perret Noémie , Michel Carine
Published: April 2020

Ligands matter for shaped decorated Co nanoparticles, at the frontier between homogeneous and heterogeneous catalysis.
Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands
Authors: Mikhalyova Elena A. , Zeller Matthias , Jasinski Jerry P. , Butcher Raymond J. , Carrella Luca M. , Sedykh Alexander E. , Gavrilenko Konstantin S. , Smola Sergey S. , Frasso Michael , Cazorla Sebastian Calderon , Perera Kuluni , Shi Anni , Ranjbar Habib G. , Smith Casey , Deac Alexandru , Liu Youlin , McGee Sean M. , Dotsenko Vladimir P. , Kumke Michael U. , Müller-Buschbaum Klaus , Rentschler Eva , Addison Anthony W. , Pavlishchuk Vitaly V.
Published: April 2020

Mono-, di- & trinuclear ternary complexes of Dy3+& Tb3+with pyrazole & oligo-diketonates are both luminescent and single molecule magnets. Quantum yields &Ueffvalues decrease with higher nuclearity & reduced intramolecular Ln–Ln distance.
Reactive metallocene cations as sensitive indicators of gas-phase oxygen and water
Authors: Joshi Anuj , Donnecke Sofia , Granot Ori , Shin Dongju , Collins Scott , Paci Irina , Scott McIndoe J.
Published: April 2020

Gas-phase oxidation of air-sensitive organometallic compounds does not proceed to a significant extent in mass spectrometric analysis unless a vacant coordination site is generated, making nitrogen generators a suitable source of desolvation gas.
Effective inhibitory activity against MCF-7, A549 and HepG2 cancer cells by a phosphomolybdate based hybrid solid
Authors: Joshi Arti , Gupta Ruby , Singh Bharti , Sharma Deepika , Singh Monika
Published: April 2020

A novel P2Mo5 cluster based hybrid solid [{4,4′-H2bpy}{4,4′-Hbpy}2{H2P2Mo5O23}]·5H2O with effective anti-proliferation activity against MCF-7, HepG2 and A549 cancer cells comparable with a routinely used chemotherapeutic agent, methotrexate (MTX).
Silica nanoparticles alleviate mercury toxicity via immobilization and inactivation of Hg(ii) in soybean (Glycine max)
Authors: Li Yunyun , Zhu Nali , Liang Xujun , Bai Xu , Zheng Lirong , Zhao Jiating , Li Yu-feng , Zhang Zhiyong , Gao Yuxi
Published: April 2020

Nano-SiO2 alleviates Hg phytotoxicity through reducing Hg bioavailability and inhibiting uptake, translocation and accumulation of Hg in plant tissues.
Emerging investigator series: phosphorus recovery from municipal wastewater by adsorption on steelmaking slag preceding forward osmosis: an integrated process
Authors: Pramanik Biplob Kumar , Islam Md. Aminul , Asif Muhammad Bilal , Roychand Rajeev , Pramanik Sagor Kumar , Shah Kalpit , Bhuiyan Muhammed , Hai Faisal
Published: April 2020

Phosphorus is a critical non-renewable mineral essential for sustainable crop production.
Supplementation ofBacillus amyloliquefaciensAS385 culture broth powder containing 1-deoxynojirimycin in a high-fat diet altered the gene expressions related to lipid metabolism and insulin signaling in mice epididymal white adipose tissue
Authors: Parida Isabella Supardi , Takasu Soo , Ito Junya , Ikeda Ryoichi , Yamagishi Kenji , Kimura Toshiyuki , Eitsuka Takahiro , Nakagawa Kiyotaka
Published: April 2020

Supplementation ofBacillus amyloliquefaciensAS385 culture broth powder in high-fat diet restored adiposity, glucose tolerance and insulin sensitivity in mice.
Comparison of the effects of resveratrol and its derivative pterostilbene on hepatic oxidative stress and mitochondrial dysfunction in piglets challenged with diquat
Authors: Zhang Hao , Chen Yanan , Chen Yueping , Jia Peilu , Ji Shuli , Xu Jianxiong , Li Yue , Wang Tian
Published: April 2020

Pterostilbene is more effective than resveratrol in alleviating liver injury, facilitating redox status, and improving mitochondrial function of piglets.
Ethyl lactate-involved three-component dehydrogenative reactions: biomass feedstock in diversity-oriented quinoline synthesis
Authors: Yang Lu , Wan Jie-Ping
Published: April 2020

The biomass feedstock ethyl lactate has been utilized for quinoline synthesis via three-component reactions with anilines and aldehydes. The reactions take place efficiently via oxidant-/solvent-free EL dehydrogenation, and provide only water and hydrogen by-products.
Development and validation of an eco-friendly HPLC-DAD method for the determination of oleuropein and its applicability to several matrices: olive oil, olive leaf extracts and nanostructured lipid carriers
Authors: Huguet-Casquero Amaia , López-Méndez Tania Belén , Gainza Eusebio , Pedraz Jose Luis
Published: April 2020

An alternative HPLC approach for oleuropein determination in olive oil, Olea europaea leaf extracts and nanoparticles with minimized environmental impact.
Asymmetric trehalose analogues to probe disaccharide processing pathways in mycobacteria
Authors: Parker Hadyn L. , Tomás Ruben M. F. , Furze Christopher M. , Guy Collette S. , Fullam Elizabeth
Published: April 2020

Chemoenzymatic synthesis of azido-functionalised asymmetric trehalose analogues that are resistant to enzymatic degradation to probe carbohydrate processing pathways in mycobacteria.
Synthesis of gem-difluoroalkenes via nickel-catalyzed allylic defluorinative reductive cross-coupling of trifluoromethyl alkenes with epoxides
Authors: Lu Xiao-Yu , Jiang Run-Chuang , Li Jia-Mei , Liu Chuang-Chuang , Wang Qing-Qing , Zhou Hai-Pin
Published: April 2020

A nickel-catalyzed defluorinative reductive cross-coupling of trifluoromethyl alkenes with epoxides has been developed.
In situ study on interactions between hydroxyl groups in kaolinite and re-adsorption water
Authors: Han Yanna , Yan Zhuangzhuang , Jin Lijun , Liao Junjie , Feng Guorui
Published: April 2020

Because two layers slipped away from each other, inner-surface O–H was transformed into outer O–H during heating from 100–300 °C. Re-adsorption water could be thoroughly removed at 650 °C.
Superior performance of surface-treated NaX@Pebax-1657 membranes for O2/N2 separation
Authors: Maleh Mohammad Salehi , Raisi Ahmadreza
Published: April 2020

In this study, the performances of mixed matrix composite membranes (MMCMs) containing surface-treated NaX nanocrystals (ST-NaX-NCs) were experimentally and theoretically investigated for O2/N2 separation.
Catalyzed M–C coupling reactions in the synthesis of σ-(pyridylethynyl)dicarbonylcyclopentadienyliron complexes
Authors: Verpekin Victor V. , Semeikin Oleg V. , Vasiliev Alexander D. , Kondrasenko Alexander A. , Belousov Yuri A. , Ustynyuk Nikolai A.
Published: April 2020

Two approaches were developed for the synthesis of iron σ-pyridylethynyl complexes based on Pd/Cu- and Pd-catalyzed Fe–C coupling reactions.
Dietary milk fat globule membrane supplementation during late gestation increased the growth of neonatal piglets by improving their plasma parameters, intestinal barriers, and fecal microbiota
Authors: Zhang Xiangyu , Wu Yujun , Ye Hao , Feng Cuiping , Han Dandan , Tao Shiyu , Pi Yu , Zhao Junying , Chen Lijun , Wang Junjun
Published: April 2020

Maternal supplementation of MFGM transgenerationally improves the intestinal microecology and growth performance of their neonatal piglets.
Molecularly imprinted polymer-based bioelectrical interfaces with intrinsic molecular charges
Authors: Sakata Toshiya , Nishitani Shoichi , Kajisa Taira
Published: April 2020

A molecularly imprinted polymer (MIP)-based membrane with phenylboronic acid (PBA) molecules, which induces the change in the density of molecular charges, is suitable for the bioelectrical interface of field-effect transistor (FET) sensors.
Correction: Efficient broadband light absorption in thin-film a-Si solar cell based on double sided hybrid bi-metallic nanogratings
Authors: Subhan Fazal E. , Khan Aimal Daud , Hilal Fazal E. , Khan Adnan Daud , Khan Sultan Daud , Khan Rehan Ullah , Imran Muhammad , Noman Muhammad
Published: April 2020

Correction for ‘Efficient broadband light absorption in thin-film a-Si solar cell based on double sided hybrid bi-metallic nanogratings’ by Fazal E. Subhan et al., RSC Adv., 2020, 10, 11836–11842, DOI: 10.1039/C9RA10232A.
Correction: Surface phosphonation treatment shows dose-dependent enhancement of the bioactivity of polyetheretherketone
Authors: Liu Lvhua , Zheng Yanyan , Zhang Qianyu , Yu Lin , Hu Ziliang , Liu Ying
Published: April 2020

Correction for ‘Surface phosphonation treatment shows dose-dependent enhancement of the bioactivity of polyetheretherketone’ by Lvhua Liu et al., RSC Adv., 2019, 9, 30076–30086, DOI: 10.1039/C9RA05229A.
Allylic C(sp3)–H alkylation via synergistic organo- and photoredox catalyzed radical addition to imines
Authors: Jia Jiaqi , Kancherla Rajesh , Rueping Magnus , Huang Long
Published: April 2020

A new catalytic method for the direct alkylation of allylic C(sp3)–H bonds from unactivated alkenes via synergistic organo- and photoredox catalysis is described.
Pore engineering of ultrathin covalent organic framework membranes for organic solvent nanofiltration and molecular sieving
Authors: Shinde Digambar B. , Cao Li , Wonanke A. D. Dinga , Li Xiang , Kumar Sushil , Liu Xiaowei , Hedhili Mohamed N. , Emwas Abdul-Hamid , Addicoat Matthew , Huang Kuo-Wei , Lai Zhiping
Published: April 2020

Pore surface engineering of ultrathin COF membranes by introducing different lengths of alkyl chains into the skeleton, which allows us to precisely control the pore size of COF membranes for OSN applications and molecular sieving.
Transformation from helical to layered supramolecular organization of asymmetric perylene diimides via multiple intermolecular hydrogen bonding
Authors: Li Mengmeng , Zajaczkowski Wojciech , Velpula Gangamallaiah , Jänsch Daniel , Graf Robert , Marszalek Tomasz , Parekh Sapun H. , Zagranyarski Yulian , Mali Kunal , Wagner Manfred , De Feyter Steven , Li Chen , Müllen Klaus , Pisula Wojciech
Published: April 2020

The solid-state supramolecular organization of asymmetric perylene diimide is transformed from helical to layered self-assembly after thermal annealing.
Amino-functionalized MOF derived porous Fe3O4/N-doped C encapsulated within a graphene network by self-assembling for enhanced Li-ion storage
Authors: Wang Weijuan , Chen Daming , Xu Hui , Yu Genxi , Sun Shangqi , Zhang Wei , Chen Jian
Published: April 2020

A graphene-wrapped porous Fe3O4/N-doped C composite was synthesized by an electrostatic interaction induced self-assembly process, showing an excellent electrochemical performance.
Dual-functional Ti3C2Tx MXene for wastewater treatment and electrochemical energy storage
Authors: Zhu Xingxing , Huang Xinhua , Zhao Ruikun , Liao Kin , Chan Vincent
Published: April 2020

Multifunctional 2D materials have been exploited for highly intricate applications in engineering and medicine, including energy, bioimaging and drug delivery.
A hybrid pathway to biojet fuel via 2,3-butanediol
Authors: Adhikari Shiba P. , Zhang Junyan , Guo Qianying , Unocic Kinga A. , Tao Ling , Li Zhenglong
Published: April 2020

A new hybrid pathway to biojet fuel via biomass-derived 2,3-butanediol has been demonstrated with high carbon recovery (74–82% of the theoretical maximum efficiency).
Metal–organic framework-induced mesoporous carbon nanofibers as an ultrastable Na metal anode host
Authors: Mubarak Nauman , Ihsan-Ul-Haq Muhammad , Huang He , Cui Jiang , Yao Shanshan , Susca Alessandro , Wu Junxiong , Wang Mingyue , Zhang Xianghua , Huang Baoling , Kim Jang-Kyo
Published: April 2020

Etch-free MOF-induced broad-range mesoporous CNFs are prepared by electrospinning, enabling a highly stable Na metal anode.
Carbon-based single-atom catalysts for CO2 electroreduction: progress and optimization strategies
Authors: Lu Xiu-Li , Rong Xin , Zhang Chao , Lu Tong-Bu
Published: April 2020

Single-atom catalysts (SACs) have shown great potential in electrochemical reaction. In this review, the latest progress and optimization strategies for carbon-based SACs for electrochemical CO2 electroreduction have been summarized and discussed.
Cathodic electrochemical deposition: a new strategy to enhance the activity and stability of silver cathodes for thin-film solid oxide fuel cells
Authors: Kim Hyunseung , Seo Han Gil , Choi Yoonseok , Lim Dae-Kwang , Jung WooChul
Published: April 2020

Cathodic electrochemical deposition-treated silver cathodes for solid oxide fuel cell achieved 40% enhanced peak power density and 50 hour thermal stability.
Unexpected trends in the enhanced Ce3+ surface concentration in ceria–zirconia catalyst materials
Authors: Yuan Weizi , Ma Qing , Liang Yangang , Sun Chengjun , Narayanachari K. V. L. V. , Bedzyk Michael J. , Takeuchi Ichiro , Haile Sossina M.
Published: April 2020

Zirconium doping has a dramatically different influence on Ce reduction in the bulk than on the surface of ceria–zirconia.
Encapsulated DNase improving the killing efficiency of antibiotics in staphylococcal biofilms
Authors: Liu Chenhui , Zhao Yu , Su Wanqi , Chai Jingshan , Xu Lina , Cao Jingjing , Liu Yang
Published: April 2020

n(DNase) exhibited great potential as a novel antibiotic adjuvant that overcomes biofilm-associated infections with the combinational use of antibiotics.
Mechanically robust enzymatically degradable shape memory polyurethane urea with a rapid recovery response induced by NIR
Authors: Li Xin , Liu Wenkai , Li Yaomin , Lan Wanling , Zhao Daiguo , Wu Hecheng , Feng Yuan , He Xueling , Li Zhen , Li Jiehua , Luo Feng , Tan Hong
Published: April 2020

NIR-light triggered shape memory process involving PU/gold-nanorod composites is shown.