bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mangifera indica L. extract (Vimang®) reduces plasma and liver cholesterol and leucocyte oxidative stress in hypercholesterolemic LDL receptor deficient mice
Authors: Dorighello Gabriel G. , Inada Natália M. , Paim Bruno A. , Pardo‐Andreu Gilberto L. , Vercesi Anibal E. , Oliveira Helena C.F. 
Published: February 2018

AbstractCardiovascular diseases are major causes of death worldwide. Beyond the classical cholesterol risk factor, other conditions such as oxidative stress are well documented to promote atherosclerosis. The Mangifera indica L. extract (Vimang®) was reported to present antioxidant and hypocholesterolemic properties. Thus, here we evaluate the effects of Vimang treatment on risk factors of the atherosclerosis prone model of familial hypercholesterolemia, the LDL receptor knockout mice. Mice were treated with Vimang during 2 weeks and were fed a cholesterol‐enriched diet during the second week. The Vimang treated mice presented significantly reduced levels of plasma (15%) and liver (20%) cholesterol, increased plasma total antioxidant capacity (10%) and decreased reactive oxygen species (ROS) production by spleen mononuclear cells (50%), P < 0.05 for all. In spite of these benefits, the average size of aortic atherosclerotic lesions stablished in this short experimental period did not change significantly in Vimang treated mice. Therefore, in this study we demonstrated that Vimang has protective effects on systemic and tissue‐specific risk factors, but it is not sufficient to promote a reduction in the initial steps of atherosclerosis development. In addition, we disclosed a new antioxidant target of Vimang, the spleen mononuclear cells that might be relevant for more advanced stages of atherosclerosis.
Amidinate Aluminium Complexes as Catalysts for Carbon Dioxide Fixation into Cyclic Carbonates
Authors: Meléndez Danay Osorio , Lara‐Sánchez Agustín , Martínez Javier , Wu Xiao , Otero Antonio , Castro‐Osma José A. , North Michael , Rojas René S. 
Published: February 2018

AbstractA series of inexpensive and sustainable amidinate aluminium complexes has been developed as catalysts for the chemical fixation of carbon dioxide into cyclic carbonates. The reactions using terminal epoxides as substrates were carried out at room temperature and one bar of carbon dioxide pressure in the presence of tetrabutylammonium iodide as cocatalyst in the absence of solvent. Under these reaction conditions, excellent conversions and selectivities were achieved for a broad range of terminal epoxides. Moreover, the optimal catalyst could be used for the synthesis of disubstituted cyclic carbonates from internal epoxides and carbon dioxide, highlighting the potential of these amidinate aluminium complexes as catalysts.
Crystal Nucleation of Tolbutamide in Solution: Relationship to Solvent, Solute Conformation, and Solution Structure
Authors: Zeglinski Jacek , Kuhs Manuel , Khamar Dikshitkumar , Hegarty Avril C. , Devi Renuka K. , Rasmuson Åke C. 
Published: February 2018

AbstractThe influence of the solvent in nucleation of tolbutamide, a medium‐sized, flexible and polymorphic organic molecule, has been explored by measuring nucleation induction times, estimating solvent–solute interaction enthalpies using molecular modelling and calorimetric data, probing interactions and clustering with spectroscopy, and modelling solvent‐dependence of molecular conformation in solution. The nucleation driving force required to reach the same induction time is strongly solvent‐dependent, increasing in the order: acetonitrile<ethyl acetate<n‐propanol<toluene. The combined DFT and MD modelling results show that in acetonitrile, ethyl acetate and n‐propanol the nucleation difficulty is a function of the strength of solvent–solute interaction, with emphasis on the interaction with specific H‐bonding polar sites of importance in the crystal structure. A clear exception from this rule is the most difficult nucleation in toluene despite the weakest solvent–solute interactions. However molecular dynamics modelling predicts that tolbutamide assumes an intramolecularly H‐bonded conformation in toluene, substantially different from and more stable than the conformation in the crystal structure, and thus presenting an additional barrier to nucleation. This explains why nucleation in toluene is the most difficult and why the relatively higher propensity for aggregation of tolbutamide molecules in toluene solution, as observed with FTIR spectroscopy, does not translate into easier nucleation. Thus, our combined experimental and molecular modelling study suggests that the solvent can influence on the nucleation not only via differences in the desolvation but also through the influence on molecular conformation.
Formation of Linear Side‐Chain Polypseudorotaxane with Supramolecular Polymer Backbone through Neutral Halogen Bonds and Pillar[5]arene‐Based Host–Guest Interactions
Authors: Liu Peiren , Li Zhengtao , Shi Bingbing , Liu Jiyong , Zhu Huangtianzhi , Huang Feihe 
Published: February 2018

AbstractLinear side‐chain polypseudorotaxane with supramolecular polymer backbone was assembled by neutral halogen bonds (XB) and pillar[5]arene‐based host–guest interactions in solution and in the solid state. The formation of the halogen‐bonded supramolecular polymer backbone and side‐chain polypseudorotaxane in solution was characterized by 1H NMR spectroscopy, diffusion ordered NMR spectroscopy and scanning electron microscopy experiments. Furthermore, the solid‐state structures of these two highly organized supramolecular architectures were provided by single‐crystal X‐ray analysis.
Probing Ligand Structure–Activity Relationships in Pregnane X Receptor (PXR): Efavirenz and 8‐Hydroxyefavirenz Exhibit Divergence in Activation
Authors: Narayanan Bhargavi , Lade Julie M. , Heck Carley J. S. , Dietz Kevin D. , Wade Herschel , Bumpus Namandjé N. 
Published: February 2018

AbstractEfavirenz (EFV), an antiretroviral that interacts clinically with co‐administered drugs via activation of the pregnane X receptor (PXR), is extensively metabolized by the cytochromes P450. We tested whether its primary metabolite, 8‐hydroxyEFV (8‐OHEFV) can activate PXR and potentially contribute to PXR‐mediated drug–drug interactions attributed to EFV. Luciferase reporter assays revealed that despite only differing from EFV by an oxygen atom, 8‐OHEFV does not activate PXR. Corroborating this, treatment with EFV for 72 h elevated the mRNA abundance of the PXR target gene, Cyp3a11, by approximately 28‐fold in primary hepatocytes isolated from PXR‐humanized mice, whereas treatment with 8‐OHEFV did not result in a change in Cyp3A11 mRNA levels. FRET‐based competitive binding assays and isothermal calorimetry demonstrated that even with the lack of ability to activate PXR, 8‐OHEFV displays an affinity for PXR (IC50 12.1 μm; KD 7.9 μm) nearly identical to that of EFV (IC50 18.7 μm; KD 12.5 μm). The use of 16 EFV analogues suggest that other discreet changes to the EFV structure beyond the 8‐position are well tolerated. Molecular docking simulations implicate an 8‐OHEFV binding mode that may underlie its divergence in PXR activation from EFV.
A hybrid interpretable credit card users default prediction model based on RIPPER
Authors: Xu Pu , Ding Zhijun , Pan MeiQin 
Published: February 2018

SummaryWith the vigorous development of the financial sector, financial risks are showing a tendency toward diversification, particularly regarding the customer credit risk of commercial banks. Therefore, the customer's credit risk is being considered by financial institutions, and a credit evaluating model has emerged as a result. Currently, research has concentrated on enhancing the precision of the model, ignoring the interpretability, which makes it difficult to apply in the industry. Compared to precision, studies related to the interpretable model are limited. In our previous work, we did not consider model operation time and stability. Therefore, this study proposes a hybrid model based on the RIPPER algorithm. First, according to the characteristics of credit card data sets, targeted special data pretreatment methods are proposed. Next, the RELIEF method for feature selection removes the redundant features and further improves the interpretability of the model. Then, to address the problem of the imbalanced distribution of credit card data sets, a synthetic minority class sampling algorithm is used to equalize the samples. Finally, default credit card users are predicted by taking advantage of the rules generated by the RIPPER algorithm. To test the performance of the model, we used Taiwanese credit card customer data for empirical research. We considered model accuracy and interpretability when comparing the proposed SPR‐RIPPER model with the existing mainstream models. The results of the experiments indicate that the proposed model achieves acceptable results. This study demonstrates that the proposed credit card user default prediction model, SPR‐RIPPER, has practical application value.
Thermophysical and Optical Properties of L‐Tartaric Acid Crystal
Authors: Jayapalan Thirupathy , Sathiyadhas Sahaya Jude Dhas , Michael Jose , Settu Balachandar , Sathiyadhas Amalapushpam Martin Britto Dhas 
Published: February 2018

AbstractThermal properties play a vital role particularly for the materials which are used in high power laser irradiation. Photoacoustic technique is very much feasible to findout the thermal transport properties of solid materials. In the present work, nonlinear optical (NLO) single crystal of L‐tartaric acid (LTA) was grown by Sankaranarayanan‐Ramasamy (SR) method for dimensions of 140 mm in length and 11.5 mm in diameter. The grown LTA crystal has been subjected to UV‐Vis‐NIR spectral study to analyze the optical transmittance and absorbance characteristics. The thermal characterization studies were performed using photoacoustic spectrometer (PAS). Thermal characterization involves measurement of thermal parameters such as thermal diffusivity, thermal effusivity, thermal conductivity and specific heat capacity. The experimental results of photoacoustic spectrometer show that the thermal diffusivity of LTA is higher than the reported values of a few other well known NLO materials.
Estimator learning automata for feature subset selection in high‐dimensional spaces, case study: Email spam detection
Authors: Seyyedi Seyyed Hossein , Minaei‐Bidgoli Behrouz 
Published: February 2018

SummaryOne of the difficult challenges facing data miners is that algorithm performance degrades if the feature space contains redundant or irrelevant features. Therefore, as a critical preprocess task, dimension reduction is used to build a smaller space containing valuable features. There are 2 different approaches for dimension reduction: feature extraction and feature selection, which itself is divided into wrapper and filter approaches. In high‐dimensional spaces, feature extraction and wrapper approaches are not applicable due to the time complexity. On the other hand, the filter approach suffers from inaccuracy. One main reason for this inaccuracy is that the subset's size is not determined considering specifications of the problem.In this paper, we propose ESS (estimator learning automaton‐based subset selection) as a new method for feature selection in high‐dimensional spaces. The innovation of ESS is that it combines wrapper and filter ideas and uses estimator learning automata to efficiently determine a feature subset that leads to a desirable tradeoff between the accuracy and efficiency of the learning algorithm. To find a qualified subset for a special processing algorithm that functions on an arbitrary dataset, ESS uses an automaton to score each candidate subset upon the scale of the subset and accuracy of the learning algorithm using it. In the end, the subset with the highest score is returned. We have used ESS for feature selection in the framework of spam detection, a text classification task for email as a pervasive communication medium. The results show achievement in reaching the goal stated above.
Host–pathogen metapopulation dynamics suggest high elevation refugia for boreal toads
Authors: Mosher Brittany A. , Bailey Larissa L. , Muths Erin , Huyvaert Kathryn P. 
Published: February 2018

AbstractEmerging infectious diseases are an increasingly common threat to wildlife. Chytridiomycosis, caused by the fungal pathogenBatrachochytrium dendrobatidis(Bd), is an emerging infectious disease that has been linked to amphibian declines around the world. Few studies exist that explore amphibian–Bddynamics at the landscape scale, limiting our ability to identify which factors are associated with variation in population susceptibility and to develop effective in situ disease management. Declines of boreal toads (Anaxyrus boreas boreas) in the southern Rocky Mountains are largely attributed to chytridiomycosis but variation exists in local extinction of boreal toads across this metapopulation. Using a large‐scale historic data set, we explored several potential factors influencing disease dynamics in the boreal toad–Bdsystem: geographic isolation of populations, amphibian community richness, elevational differences, and habitat permanence. We found evidence that boreal toad extinction risk was lowest at high elevations where temperatures may be suboptimal forBdgrowth and where small boreal toad populations may be below the threshold needed for efficient pathogen transmission. In addition, boreal toads were more likely to recolonize high elevation sites after local extinction, again suggesting that high elevations may provide refuge from disease for boreal toads. We illustrate a modeling framework that will be useful to natural resource managers striving to make decisions in amphibian–Bdsystems. Our data suggest that in the southern Rocky Mountains high elevation sites should be prioritized for conservation initiatives like reintroductions.
Oceanographic variation influences spatial genomic structure in the sea scallop, Placopecten magellanicus
Authors: Van Wyngaarden Mallory , Snelgrove Paul V. R. , DiBacco Claudio , Hamilton Lorraine C. , Rodríguez‐Ezpeleta Naiara , Zhan Luyao , Beiko Robert G. , Bradbury Ian R. 
Published: February 2018

AbstractEnvironmental factors can influence diversity and population structure in marine species and accurate understanding of this influence can both improve fisheries management and help predict responses to environmental change. We used 7163 SNPs derived from restriction site‐associated DNA sequencing genotyped in 245 individuals of the economically important sea scallop, Placopecten magellanicus, to evaluate the correlations between oceanographic variation and a previously identified latitudinal genomic cline. Sea scallops span a broad latitudinal area (>10 degrees), and we hypothesized that climatic variation significantly drives clinal trends in allele frequency. Using a large environmental dataset, including temperature, salinity, chlorophyll a, and nutrient concentrations, we identified a suite of SNPs (285–621, depending on analysis and environmental dataset) potentially under selection through correlations with environmental variation. Principal components analysis of different outlier SNPs and environmental datasets revealed similar northern and southern clusters, with significant associations between the first axes of each (R2adj = .66–.79). Multivariate redundancy analysis of outlier SNPs and the environmental principal components indicated that environmental factors explained more than 32% of the variance. Similarly, multiple linear regressions and random‐forest analysis identified winter average and minimum ocean temperatures as significant parameters in the link between genetic and environmental variation. This work indicates that oceanographic variation is associated with the observed genomic cline in this species and that seasonal periods of extreme cold may restrict gene flow along a latitudinal gradient in this marine benthic bivalve. Incorporating this finding into management may improve accuracy of management strategies and future predictions.
Nutritional geometry and fitness consequences in Drosophila suzukii, the Spotted‐Wing Drosophila
Authors: Young Yvonne , Buckiewicz Natasha , Long Tristan A. F. 
Published: February 2018

AbstractSince its arrival to North America less than a decade ago, the invasive Spotted‐Wing Drosophila (Drosophila suzukii) has inflicted substantial economic losses on soft fruit agriculture due to its ability to oviposit into ripening fruits. More effective management approaches for this species are needed, but little is known about the factors that influence behavioral choices made by D. suzukii when selecting hosts, or the consequences that their offspring experience when developing in different environments. Using a nutritional geometry methodology, we found that the ratio of proteins‐to‐carbohydrates (P:C) present in media greatly influenced adult D. suzukii behavior and subsequent offspring development. Whereas adult flies showed a strong bias in their oviposition and association behaviors toward carbohydrate‐rich foods, larval survival and eclosion rate were strongly dependent on protein availability. Here, we explore the preference–performance hypothesis (PPH), in which females are predicted to oviposit on medias that provide the greatest offspring benefits, in regard to its relevance in D. suzukii behavior and consequences for management. Our results provide valuable insight into the ecology and evolution of this species that may hopefully lead to more effective management strategies.
Conceptual toolboxes for twenty‐first‐century ecologists
Authors: Reiners William A. , Pappas Gregory S. , Lockwood Jeffrey A. , Reiners Derek S. , Prager Steven D. 
Published: February 2018

AbstractWe ecologists realize that individually we have a variety of interests, knowledge, and skills among us; and we appreciate how those attributes differentially apply to the diverse tasks we address in our various “practices” of ecology. Less obvious to us, however, is the variety of intellectual tools we bring to bear in our practices. In order to understand how members of our discipline “think” as well as “know” and “act,” this paper explores how the utility of ecological concepts varies among ecologists and how concepts tend to be lumped into what might be viewed as cognitive “toolkits” for implementing our work. Knowing the character of these metaphorical toolkits helps us to understand the nature of our discipline, to better teach ecology, and to more effectively communicate with one another. We collected “usefulness” ratings of 131 normative concepts (i.e., what an ecologist ought to know) through an Ecological Society of America‐wide survey and analyzed results through cluster analysis. Ten concept clusters emerged, each having varying numbers of concepts and various degrees of subject matter cohesion. Only some of these resembled commonly recognized specializations in ecology. General descriptors for these clusters are as follows: general ecology, population ecology, community ecology, evolutionary ecology, ecosystem ecology, biogeochemistry, spatial structures, scaling structure and function, cross‐system structures, and cross‐system dynamics.
Effect of sacubitril/valsartan on recurrent events in the Prospective comparison of ARNI with ACEI to Determine Impact on Global Mortality and morbidity in Heart Failure trial (PARADIGM‐HF)
Authors: Mogensen Ulrik M. , Gong Jianjian , Jhund Pardeep S. , Shen Li , Køber Lars , Desai Akshay S. , Lefkowitz Martin P. , Packer Milton , Rouleau Jean L. , Solomon Scott D. , Claggett Brian L. , Swedberg Karl , Zile Michael R. , Mueller‐Velten Guenther , McMurray John J.V. 
Published: February 2018

AimsRecurrent hospitalizations are a major part of the disease burden in heart failure (HF), but conventional analyses consider only the first event. We compared the effect of sacubitril/valsartan vs. enalapril on recurrent events, incorporating all HF hospitalizations and cardiovascular (CV) deaths in PARADIGM‐HF, using a variety of statistical approaches advocated for this type of analysis.Methods and resultsIn PARADIGM‐HF, a total of 8399 patients were randomized and followed for a median of 27 months. We applied various recurrent event analyses, including a negative binomial model, the Wei, Lin and Weissfeld (WLW), and Lin, Wei, Ying and Yang (LWYY) methods, and a joint frailty model, all adjusted for treatment and region. Among a total of 3181 primary endpoint events (including 1251 CV deaths) during the trial, only 2031 (63.8%) were first events (836 CV deaths). Among a total of 1195 patients with at least one HF hospitalization, 410 (34%) had at least one further HF hospitalization. Sacubitril/valsartan compared with enalapril reduced the risk of recurrent HF hospitalization using the negative binomial model [rate ratio (RR) 0.77, 95% confidence interval (CI) 0.67–0.89], the WLW method [hazard ratio (HR) 0.79, 95% CI 0.71–0.89], the LWYY method (RR 0.78, 95% CI 0.68–0.90), and the joint frailty model (HR 0.75, 95% CI 0.66–0.86) (all P < 0.001). The effect of sacubitril/valsartan vs. enalapril on recurrent HF hospitalizations/CV death was similar.ConclusionsIn PARADIGM‐HF, approximately one third of patients with a primary endpoint (time‐to‐first) experienced a further event. Compared with enalapril, sacubitril/valsartan reduced both first and recurrent events. The treatment effect size was similar, regardless of the statistical approach applied.
CXCR4–CXCL12 interaction is important for plasma cell homing and survival in NZB/W mice
Authors: Cheng Qingyu , Khodadadi Laleh , Taddeo Adriano , Klotsche Jens , F. Hoyer Bimba , Radbruch Andreas , Hiepe Falk 
Published: February 2018

AbstractAntibody‐secreting cells (ASCs), including short‐lived plasmablasts and long‐lived memory plasma cells (LLPCs), contribute to autoimmune pathology. ASCs, particularly LLPCs, refractory to conventional immunosuppressive drugs pose a major therapeutic challenge. Since stromal cells expressing C‐X‐C motif chemokine‐12 (CXCL12) organize survival niches for LLPCs in the bone marrow, we investigated the effects of CXCL12 and its ligand CXCR4 (C‐X‐C chemokine receptor 4) on ASCs in lupus mice (NZB/W). Fewer adoptively transferred splenic ASCs were retrieved from the bone marrow of recipient immunodeficient Rag1−/− mice when the ASCs were pretreated with the CXCR4 blocker AMD3100. CXCR4 blockade also significantly reduced anti‐OVA ASCs in the bone marrow after secondary immunization with OVA. In this study, AMD3100 efficiently depleted ASCs, including LLPCs. After two weeks, it decreased the total number of ASCs in the spleen and bone marrow by more than 60%. Combination with the proteasome inhibitor bortezomib significantly enhanced the depletion effect of AMD3100. Continuous long‐term (five‐month) CXCR4 blockade with AMD3100 after effective short‐term LLPCs depletion kept the number of LLPCs in the bone marrow low, delayed proteinuria development and prolonged the survival of the mice. These findings identify the CXCR4‐CXCL12 axis as a potential therapeutic target likely due to its importance for ASC homing and survival.