bluuebunny/crossref_metadata_2025_split huggingface dataset:
Multiscale block spectral solution for unsteady flows
Authors: He L. 
Published: October 2017

SummaryMany problems of interest are characterized by 2 distinctive and disparate scales and a huge multiplicity of similar small‐scale elements. The corresponding scale‐dependent solvability manifests itself in the high gradient flow around each element needing a fine mesh locally and the similar flow patterns among all elements globally. In a block spectral approach making use of the scale‐dependent solvability, the global domain is decomposed into a large number of similar small blocks. The mesh‐pointwise block spectra will establish the block‐block variation, for which only a small set of blocks need to be solved with a fine mesh resolution. The solution can then be very efficiently obtained by coupling the local fine mesh solution and the global coarse mesh solution through a block spectral mapping. Previously, the block spectral method has only been developed for steady flows. The present work extends the methodology to unsteady flows of short temporal and spatial scales (eg, those due to self‐excited unsteady vortices and turbulence disturbances). A source term–based approach is adopted to facilitate a two‐way coupling in terms of time‐averaged flow solutions. The global coarse base mesh solution provides an appropriate environment and boundary condition to the local fine mesh blocks, while the local fine mesh solution provides the source terms (propagated through the block spectral mapping) to the global coarse mesh domain. The computational method will be presented with several numerical examples and sensitivity studies. The results consistently demonstrate the validity and potential of the proposed approach.
Effect of Aluminum Titanate (Al2TiO5) Doping on the Mechanical Performance of Solid Oxide Fuel Cell Ni‐YSZ Anode
Authors: McCleary M. , Amendola R. 
Published: October 2017

AbstractThe mechanical behavior of un‐doped and 1–10 wt.% aluminum titanate doped NiO‐YSZ anodes was evaluated in the oxidized and reduced state of the material. Sample bars 25 × 5 × 2 mm were fabricated and tested in a three‐point bending apparatus and statistical analyzes of the collected data were performed. A remarkable enhancement of the flexural strength was found both for the reduced and oxidized state of the material when compared to the un‐doped samples. In both cases, the development of a secondary phase was observed proportional to the doping amount of aluminum titanate. Morphological analysis along with preliminary phase identification and suspected mechanisms for strength enhancement are presented and discussed.
Baseline connectome modular abnormalities in the childhood phase of a longitudinal study on individuals with chromosome 22q11.2 deletion syndrome
Authors: Zhan Liang , Jenkins Lisanne M. , Zhang Aifeng , Conte Giorgio , Forbes Angus , Harvey Danielle , Angkustsiri Kathleen , Goodrich‐Hunsaker Naomi J. , Durdle Courtney , Lee Aaron , Schumann Cyndi , Carmichael Owen , Kalish Kristopher , Leow Alex D. , Simon Tony J. 
Published: October 2017

AbstractOccurring in at least 1 in 3,000 live births, chromosome 22q11.2 deletion syndrome (22q11DS) produces a complex phenotype that includes a constellation of medical complications such as congenital cardiac defects, immune deficiency, velopharyngeal dysfunction, and characteristic facial dysmorphic features. There is also an increased incidence of psychiatric diagnosis, especially intellectual disability and ADHD in childhood, lifelong anxiety, and a strikingly high rate of schizophrenia spectrum disorders, which occur in around 30% of adults with 22q11DS. Using innovative computational connectomics, we studied how 22q11DS affects high‐level network signatures of hierarchical modularity and its intrinsic geometry in 55 children with confirmed 22q11DS and 27 Typically Developing (TD) children. Results identified 3 subgroups within our 22q11DS sample using a K‐means clustering approach based on several midline structural measures‐of‐interests. Each subgroup exhibited distinct patterns of connectome abnormalities. Subtype 1, containing individuals with generally healthy‐looking brains, exhibited no significant differences in either modularity or intrinsic geometry when compared with TD. By contrast, the more anomalous 22q11DS Subtypes 2 and 3 brains revealed significant modular differences in the right hemisphere, while Subtype 3 (the most anomalous anatomy) further exhibited significantly abnormal connectome intrinsic geometry in the form of left–right temporal disintegration. Taken together, our findings supported an overall picture of (a) anterior‐posteriorly differential interlobar frontotemporal/frontoparietal dysconnectivity in Subtypes 2 and 3 and (b) differential intralobar dysconnectivity in Subtype 3. Our ongoing studies are focusing on whether these subtypes and their connnectome signatures might be valid biomarkers for predicting the degree of psychosis‐proneness risk found in 22q11DS. Hum Brain Mapp 39:232–248, 2018. © 2017 Wiley Periodicals, Inc.
A ladder‐shaped dibutyltin(IV) carboxylate with 2‐(4‐ethylbenzoyl)benzoic acid: Synthesis, crystal structure, and luminescent property
Authors: Han Xiao , Xiao Xiao , Tian Min , Liu Xiaowei , Liang Jingwen , Zhu Dongsheng 
Published: October 2017

AbstractA new dibutyltin(IV) carboxylate with 2‐(4‐ethylbenzoyl)benzoic acid (HL), {[n‐Bu2Sn(L)]2O}2, (1) was synthesized and characterized by elemental analysis, IR, 1H, 13C, 119Sn NMR spectroscopy. X‐ray crystallography diffraction analysis shows 1 is a centrosymmetric tetranuclear tetrabutyldistannoxane complex containing a planar Sn4O2 core in which two μ3‐oxygens connect a Sn2O2 ring to two exocyclic Sn atoms. The four carboxyl groups display two different modes of coordination: monodentate and bidentate coordination. The molecules of 1 build 1D chain structure and 2D network supramolecular structure through intermolecular hydrogen bonds. The luminescent property of 1 was preliminarily studied.
C‐O and C‐S coupling reaction of 1,2‐di(pyrimidin‐2‐yl) disulfides with phenols/thiophenols promoted by copper(I) chloride
Authors: Zhang Ping , Guo Yan , Quan Zheng‐Jun 
Published: October 2017

AbstractAn efficient protocol for C‐O and C‐S bonds formation by the cross‐coupling reaction of 1,2‐di(pyrimidin‐2‐yl) disulfides with phenols/thiophenols promoted by copper(I) chloride was established. It was discovered that variously substituted di(hetero)aryl disulfides and phenols were well tolerated. This strategy is the conversion of disulfides into hetero‐aryl ethers and thioethers by a copper‐promoted chemoselective C‐S bond cleavage of disulfides.
Alkylation of 9‐substituted guanine derivatives with α,ω‐dihaloalkanes
Authors: Framski Grzegorz , Goslinski Tomasz , Januszczyk Piotr , Golankiewicz Bozenna , Ostrowski Tomasz 
Published: October 2017

AbstractReactions of 9‐substituted guanine derivatives with NaH/1,2‐dibromoethane, 1,3‐dibromopropane, or 1,4‐dibromobutane at room temperature resulted in the isolation of tricyclic 1,N2‐(1,2‐ethano)guanine, 1,N2‐(1,3‐propano)guanine, or 1,N2‐(1,4‐butano)guanine products, respectively. O6‐Haloalkyl and N1‐haloalkyl products were obtained following the use of NaH/1,4‐dibromobutane, higher α,ω‐dibromoalkanes, or α‐bromo‐ω‐fluoroalkanes. Raising the reaction temperature opened the synthetic way toward O6‐guanine‐alkylene‐O6‐guanine and N1‐guanine‐alkylene‐O6‐guanine symmetric and unsymmetric dimers. Protection of the substrate amine group to form N,N‐dialkylformamidine provided the access to N1‐guanine‐alkylene‐N1‐guanine dimers.
Synthesis of new functionalized organophosphorus acids and their derivatives with indan‐1‐carboxylic acid moieties
Authors: Prishchenko Andrey A. , Livantsov Mikhail V. , Novikova Olga P. , Livantsova Ludmila I. , Petrosyan Valery S. 
Published: October 2017

AbstractThe addition of trimethylsilyl esters of trivalent phosphorus acids to trimethylsilyl ester of 1 H‐indene‐3‐carboxylic acid has been studied. The convenient syntheses of new functionalized organophosphorus acids and their derivatives with indan‐1‐carboxylic acid moieties have been proposed. Water‐soluble sodium salts of the corresponding acids were also obtained.
Heated air humidification versus cold air nebulization in newly tracheostomized patients
Authors: Birk Richard , Händel Alexander , Wenzel Angela , Kramer Benedikt , Aderhold Christoph , Hörmann Karl , Stuck Boris A. , Sommer J. Ulrich 
Published: October 2017

AbstractBackgroundAfter tracheostomy, the airway lacks an essential mechanism for warming and humidifying the inspired air with the consequent functional impairment and discomfort. The purpose of this study was to compare airway hydration with cold‐air nebulization versus heated high‐flow humidification on medical interventions and tracheal ciliary beat frequency (CBF).MethodsNewly tracheostomized patients (n = 20) were treated either with cold‐air nebulization or heated humidification. The number of required tracheal suctioning procedures to clean the trachea and tracheal CBF were assessed.ResultsThe number of required suctions per day was significantly lower in the heated humidification group with medians 3 versus 5 times per day. Mean CBF was significantly higher in the heated humidification group (6.36 ± 1.49 Hz) compared to the cold‐air nebulization group (3.99 ± 1.39 Hz).ConclusionThe data suggest that heated humidification enhanced mucociliary transport leading to a reduced number of required suctioning procedures in the trachea, which may improve postoperative patient care.
Use of oral mucosal cell sheets for accelerated oral surgical wound healing
Authors: Roh Jong‐Lyel , Lee Jaewang , Jang Hyejin , Kim Eun Hye , Shin Daiha 
Published: October 2017

AbstractBackgroundWe developed a highly efficient in vitro‐engineered mucosa equivalent using completely autologous mucosa and blood and investigated its feasibility and efficacy for oral surgical wound healing.MethodsSmall oral mucosa samples were obtained from surgical patients, and keratinocytes and fibroblasts were primarily grown in media without animal products for generating 3D cell sheets.ResultsMorphological characteristics of the cell sheets were comparable to those of human mucosa, although p63‐positive cells were more numerous in cell sheets. In addition, cell sheets were flexible, expandable, and easy to handle or transfer. In further in vivo rat experiments with deep wounding of the buccal mucosa and soft tissues, controls had significantly thinner epithelium and thicker collagen densities than those with cell sheets.ConclusionAutologous cell sheets can be engineered in vitro from oral keratinocytes, fibroblasts, and fibrin, and can be used clinically to accelerate healing of oral soft tissue defects.
Association between MTHFR microRNA binding site polymorphisms and methotrexate concentrations in Chinese pediatric patients with acute lymphoblastic leukemia
Authors: Wang Shu‐Mei , Zeng Wei‐Xin , Wu Wan‐Shui , Sun Lu‐Lu , Yan Dan 
Published: October 2017

AbstractBackgroundThe pharmacokinetics and therapeutic response to methotrexate (MTX) display large variability in the treatment of acute lymphoblastic leukemia (ALL). The aim of the present study was to investigate the association of two microRNA (miRNA) binding site polymorphisms (rs3737966 G > A and rs35134728 DEL/TTC) in the 3′‐untranslated region of MTHFR with serum MTX concentrations, in a Chinese pediatric population with ALL.MethodsGenotyping for MTHFR rs3737966 and rs35134728 in 144 children with ALL was performed using the Sequenom MassArray system (Sequenom, San Diego, CA, USA). Serum MTX concentrations were measured by a fluorescence polarization immunoassay 24 h (C24h) and 42 h (C42h) after administration. The effects of the polymorphisms on concentration‐to‐dose (C/D) ratios of MTX were assessed.ResultsComplete linkage disequilibrium between rs3737966 and rs35134728 polymorphisms (r2 = 1) was found in the study population. The minor allele frequency observed in the present study (17.4%) was significantly lower than those in European and African samples reported in the 1000 Genomes Project (42.9% and 63.9%, respectively; p < 0.01). The C/D ratios of MTX at 24 and 42 h for the TTC/TTC‐A/A haplotype carriers (11.74 and 0.07 μmol/l per g/m2, respectively) were significantly lower than those in DEL/DEL‐G/G or DEL/TTC‐G/G haplotype carriers (12.49 and 0.09 μmol/l per g/m2, respectively; p < 0.05). Computational predictions suggested that the two polymorphisms overlapped with putative binding sites of several miRNAs.ConclusionsThe rs3737966 and rs35134728 polymorphisms in MTHFR were associated with serum MTX concentrations. The findings of the present study indicate that miRNAs might be involved in the post‐transcriptional regulation of MTHFR.
Molecular dynamics investigation of stereoselective inhibition mechanism of HIF‐2α/ARNT heterodimer
Authors: Sun Dong‐Ru , Zheng Qing‐Chuan , Zhang Hong‐Xing 
Published: October 2017

AbstractHypoxia‐inducible factors (HIFs) are heterodimeric transcription factors related with the onset and progression of solid tumors. Studies demonstrated a class of tetrazole containing chiral inhibitors could stereoselectively disrupt the HIF‐2 dimerization and reduce the target gene expression. However, the dynamical features and structural motifs of the HIF‐2 heterodimer caused by the binding of enantiomers have not been rationalized at the atomistic level. In this work, molecular dynamics (MD) simulations combined with adaptive steered MD (ASMD) simulations were used to investigate stereoselective interrupting mechanism of HIF‐2. Our results decipher that the binding of ligand A (S, R)‐24 begets the significant conformation changes of β‐sheets and interrupts the HIF‐2α/ARNT heterodimerization, which may be attributed to the disruption of the hydrogen bond and salt bridge interactions formed by the 4 foremost residues (Asp240, Arg247, Glu362, and Arg366) and the destruction of hydrophobic interactions on the binding interface. By contrast, the binding of ligand B (R, S)‐24 does not disrupt protein dimerization and causes the motion of Fα helix in HIF‐2α PAS‐B domain to further change the major tunnel for ligand ingress and engress. The present work provides important molecular‐level insight into the effect of the binding enantiomers on HIF‐2 heterodimerization and bridges the gap between theory and the experimental results, which may conduce to develop highly potent antagonists for intervening the HIF‐2‐driven tumors.
Will drought events become more frequent and severe in Europe?
Authors: Spinoni Jonathan , Vogt Jürgen V. , Naumann Gustavo , Barbosa Paulo , Dosio Alessandro 
Published: October 2017

ABSTRACTAs a result of climate change in recent past and unsustainable land management, drought became one of the most impacting disasters and, with the projected global warming, it is expected to progressively cause more damages by the end of the 21st century. This study investigates changes in drought occurrence, frequency, and severity in Europe in the next decades. A combined indicator based on the predominance of the drought signal over normal/wet conditions has been used. The indicator, which combines the standardized precipitation index (SPI, which accounts for anomalous low rainfall), the standardized precipitation evapotranspiration index (SPEI, which accounts for high temperatures and scarce precipitations), and the reconnaissance drought indicator (RDI, similar to SPEI but more affected by extreme events), has been computed at 3‐ and 12‐month accumulation scales to characterize trends in seasonal and annual events from 1981 to 2100. Climate data from 11 bias‐adjusted high‐resolution (0.11°) simulations from the EURO‐CORDEX (coordinated regional climate downscaling experiment) have been used in the analyses. For each simulation, the frequency and severity of drought and extreme drought events for 1981–2010, 2041–2070, and 2071–2100 have been analysed. Under the moderate emission scenario (RCP4.5), droughts are projected to become increasingly more frequent and severe in the Mediterranean area, western Europe, and Northern Scandinavia, whereas the whole European continent, with the exception of Iceland, will be affected by more frequent and severe extreme droughts under the most severe emission scenario (RCP8.5), especially after 2070. Seasonally, drought frequency is projected to increase everywhere in Europe for both scenarios in spring and summer, especially over southern Europe, and less intensely in autumn; on the contrary, winter shows a decrease in drought frequency over northern Europe.
Reduction of soil heavy metal bioavailability by nanoparticles and cellulosic wastes improved the biomass of tree seedlings
Authors: Tafazoli Mahya , Hojjati Seyyed Mohammad , Biparva Pourya , Kooch Yahya , Lamersdorf Norbert 
Published: October 2017

AbstractThe purpose of this study was to use zero‐valent iron nanoparticles (nZVI) and cellulosic wastes to reduce bioavailability of lead (Pb) and cadmium (Cd), and to establish Persian maple seedlings (Acer velutinum Bioss.) in contaminated soil. One‐year‐old seedlings were planted in pots filled with unpolluted soil. Lead [Pb(NO3)2] and Cd [Cd(NO3)2] were added with concentrations of 0 (Control), 100 (Pb100), 200 (Pb200), and 300 (Pb300) mg kg−1 and 10 (Cd10), 20 (Cd20), and 30 (Cd30) mg kg−1. Cellulosic wastes were mixed with soil at the same time of planting [four levels: 0, 10 (W1), 20 (W2), 30 (W3) g 100 g−1 soil]. The nZVI was prepared by reducing Fe3+ to Fe0 and injected to pots [four levels: 0, 1 (N1), 2 (N2), and 3 (N3) mg kg−1]. Height, diameter, biomass, tolerance index of seedlings, bioavailability of heavy metals in soil, and removal efficiency of amendments were measured. The highest values of seedling characteristics were observed in N3. The highest removal efficiency of Pb (Pb100: 81.95%, Pb200: 75.5%, Pb300: 69.9%) and Cd (Cd10: 92%, Cd20: 73.7%, Cd30: 68.5%) was also observed in N3. The use of nZVI and cellulosic waste could be a proper approach for seedling establishment in forests contaminated with heavy metals.
Optimisation of saponin extraction conditions with Camellia sinensis var. assamica seed and its application for a natural detergent
Authors: Gong Wanying , Huang Yewei , Ji Aibing , Peng Wenshu , Liu Cong , Zeng Yin , Yang Ruijuan , Yan Liang , Wang Xuanjun , Sheng Jun 
Published: October 2017

AbstractBACKGROUNDCamellia sinensis var. assamica seed cake (a by‐product of tea‐seed oil) is an abundant resource with poor utilisation. C. sinensis var. assamica seed saponin (CSS) is one kind of non‐ionic surfactant. In this study, the CSS extraction conditions were optimised by response surface methodology (RSM) and then the CSS detergent was developed. Additionally, the safety and decontamination ability of the developed detergent were evaluated.RESULTSThe optimised extraction conditions were including the extracting temperature of 40.04 °C, extraction time of 4.97 h, ethanol concentration of 64.11% and liquid–solid ratio of 14.57:1 mL g−1. The formula of the CSS detergent was as follows: 20% crude CSS, 0.3% oxidised tea polyphenols (OTPs), 0.2% nisin, 0.3% sodium dehydroacetate, 0.7% sodium alginate and 0.5% sodium polyacrylate. The LD50 of the CSS detergent exceeds 14 g kg−1 in mice, indicating the detergent was non‐toxic. Both of the emulsifying and the pesticide residues removal abilities of the CSS detergent were significantly stronger than the commercial detergent.CONCLUSIONA natural tea seed saponin detergent with good safety and decontamination ability was successfully developed. This can make better use of the tea seed cake, thereby creating added value in the tea seed oil industry. © 2017 Society of Chemical Industry
Association between the gut microbiota and mineral metabolism
Authors: Skrypnik Katarzyna , Suliburska Joanna 
Published: October 2017

AbstractThe aim of this review is to present the most recent scientific evidence of interactions between the intestinal microbiota and minerals, and the effect of this interaction on the health of the host. The Web of Science database from the years 2013–2017 on this topic was reviewed. Numerous in vitro studies have shown that iron significantly affects the intestinal microbiota. However, Bifidobacteriaceae are capable of binding iron in the large intestine, thereby limiting the formation of free radicals synthesized in the presence of iron, and thus reducing the risk of colorectal cancer. Animal studies have revealed that supplementation with probiotics, prebiotics and synbiotics has a significant effect on bone calcium, phosphate and bone metabolism. The dynamic interaction between microbiota and zinc was shown. Human studies have provided evidence of the influence of probiotic bacteria on parathormone, calcium and phosphate levels and thus on bone resorption. Recent studies have produced new information mainly on the impact of the intestinal bacteria on the metabolism of calcium and iron. From a scientific perspective, the most urgent fields that remain to be investigated are the identification of all human gut microbes and new therapies targeting the interaction between intestinal bacteria and minerals. © 2017 Society of Chemical Industry
Elicitor and nitrogen applications to Garnacha, Graciano and Tempranillo vines: effect on grape amino acid composition
Authors: Gutiérrez‐Gamboa Gastón , Portu Javier , López Rosa , Santamaría Pilar , Garde‐Cerdán Teresa 
Published: October 2017

AbstractBACKGROUNDElicitors and nitrogen foliar applications to vineyards could regulate grape nitrogen composition, which has an important effect on grape and wine quality. Thus the aim of this research was to study the effect of foliar elicitor treatments, methyl jasmonate (MeJ) and yeast extract (YE), and foliar nitrogen applications, urea (Ur) and phenylalanine (Phe), to Garnacha, Graciano and Tempranillo vines on grape amino acid composition.RESULTSThe results showed that elicitor and nitrogen foliar applications to Garnacha and Tempranillo grapevines decreased the must amino acid concentration. However, Phe application to these two grapevines increased the must Phe content. The treatments applied to Graciano grapevines barely effected the grape amino acid content. According to the percentage of variance attributable, the variety had a higher impact on the must amino acid composition than the treatments and their interaction, except in certain amino acids such as Phe.CONCLUSIONThe influence of elicitor and nitrogen foliar applications to grapevines on grape amino acid concentration was strongly conditioned by the variety. © 2017 Society of Chemical Industry
Advances in native high‐performance liquid chromatography and intact mass spectrometry for the characterization of biopharmaceutical products
Authors: Tassi Marco , De Vos Jelle , Chatterjee Sneha , Sobott Frank , Bones Jonathan , Eeltink Sebastiaan 
Published: October 2017

AbstractThe characterization of biotherapeutics represents a major analytical challenge. This review discusses the current state‐of‐the‐art in analytical technologies to profile biopharma products under native conditions, i.e., the protein three dimensional conformation is maintained during liquid chromatographic analysis. Native liquid‐chromatographic modes that are discussed include aqueous size‐exclusion chromatography, hydrophobic interaction chromatography, and ion‐exchange chromatography. Infusion conditions and the possibilities and limitations to hyphenate native liquid chromatography to mass spectrometry are discussed. Furthermore, the applicability of native liquid‐chromatography methods and intact mass spectrometry analysis for the characterization of monoclonal antibodies and antibody–drug conjugates is discussed.