bluuebunny/crossref_metadata_2025_split huggingface dataset:
Chromatographic determination of some biomarkers of liver cirrhosis and hepatocellular carcinoma in Egyptian patients
Authors: Osman Diaa , Ali Omnia , Obada Manar , El‐Mezayen Hatem , El‐Said Hala 
Published: November 2016

AbstractMetabolomics has been shown to be an effective tool for disease diagnosis, biomarker screening and characterization of biological pathways. A total of 140 subjects were included in this study; urine metabolomes of patients with liver cirrhosis (LC, n = 40), patients with hepatocellular carcinoma (HCC; n = 55) and healthy male subjects (n = 45) as a control group were studied. Gas chromatography/mass spectrometry‐based urine metabolomics profiles were investigated for all participants. Diagnostic models were constructed with a combination of marker metabolites, using principal components analysis and receiver operator characteristic curves. A total of 57 peaks could be auto‐identified of which 13 marker metabolites (glycine, serine, threonine, proline, urea, phosphate, pyrimidine, arabinose, xylitol, hippuric acid, citric acid, xylonic acid and glycerol) were responsible for the separation of HCC group from healthy subjects. Also, eight markers metabolites (glycine, serine, threonine, proline, citric acid, urea, xylitol and arabinose) showed significant differences between the LC group and healthy subjects. No significant difference was detected between HCC and LC groups regarding all these metabolites. Metabolomic profile using GC–MS established an optimized diagnostic model to discriminate between HCC patients and healthy subjects; also it could be useful for diagnosis of LC patients. However, it failed to differentiate between HCC and LC patients.
Tissue distribution of capilliposide B, capilliposide C and their bioactive metabolite in mice using liquid ‐tandem mass spectrometry
Authors: Cheng Zhongzhe , Zhou Xing , Hu Bingying , Li Wenyi , Chen Guiying , Zhang Yang , Tian Jingkui , Zhang Lin , Li Ming , Jiang Hongliang 
Published: November 2016

AbstractLysimachia capillipes Hemsl (Primulaceae), a folk medicinal plant in China, showed significant anti‐tumor activities in vivo and in vitro. Capilliposide B (LC‐B) and capilliposide C (LC‐C) are the main bioactive components in this plant. To explore their tissue distribution, a reliable bioanalytical method for the quantification of LC‐B, LC‐C and their bioactive metabolite, capilliposide A (LC‐A), in mouse tissues was developed and validated. In this study, the tissue distribution profiles of the three compounds were examined after intravenous administration of pure LC‐B and oral administration of total saponins of L. capillipes Hemsl extract (LCE) for 10 days. Method validation was conducted over the curve range 10.0–5000 ng/mL for all three analytes in various tissue homogenates. The relative standard deviation of intra‐day and inter‐day precision of the QC samples was <14.7%, and the accuracy ranged from 85.9 to 114.0%. The results indicated that LC‐B was rapidly and widely distributed throughout the whole body except for muscle following intravenous administration of LC‐B. In addition, LC‐A was only in liver, intestine, lung and stomach. After oral administration of LCE, LC‐B and LC‐C were distributed into various tissues. The highest levels were observed in stomach and intestine.
Ultrathin Nitrogen‐Enriched Hybrid Carbon Nanosheets for Supercapacitors with Ultrahigh Rate Performance and High Energy Density
Authors: Li Shaofeng , Yu Chang , Yang Juan , Zhao Changtai , Fan Xiaoming , Huang Huawei , Han Xiaotong , Wang Jingxian , He Xiaojun , Qiu Jieshan 
Published: November 2016

AbstractTwo‐dimensional carbon nanosheets are promising materials as supercapacitor electrodes for high‐efficiency energy storage. Herein, a simple strategy is engineered to configure ultrathin nitrogen‐enriched hybrid carbon nanosheets (HCNSs) with a thickness of approximately 3.6 nm using graphene oxide as a structure‐directing agent and nano‐CaCO3 as an in‐situ‐activated agent. The polydopamine synthesized in situ on the graphene oxide sheet surface is used as a nitrogen‐rich carbon precursor, leading to the formation of nearly transparent nitrogen‐enriched HCNSs under an electron beam. Benefiting from the nitrogen‐enriched species (8.92 wt % N content), highly exposed electroactive sites and fast ion/electron transport arising from the porous and ultrathin nanosheet structure, the HCNS electrode exhibits remarkably enhanced electrochemical characteristics with a high specific capacitance of 227 F g−1 at 0.5 A g−1 and superior rate capability (70 % capacitance retention at 100 A g−1) in 6 m KOH electrolyte. More importantly, it delivers a high energy density of 86.6 W h kg−1 at a power density of 111 W kg−1 in a 1‐butyl‐3‐methylimidazolium hexafluorophosphate ionic liquid electrolyte. This study might shed new light on the configuration of nitrogen‐enriched and ultrathin 2D carbon nanomaterials for high‐efficiency energy storage/conversion devices.
Significantly Improved Electrocatalytic Activity of Copper‐Based Structures that Evolve from a Metal‐Organic Framework Induced by Cathodization Treatment
Authors: Shi Libo , Niu Xiangheng , Zhao Hongli , Lan Minbo 
Published: November 2016

AbstractWhereas metal‐organic frameworks (MOFs) are being widely explored in the application of electrocatalysis, the electro‐inert organic ligands in MOFs have negative effects on electron transfer. Here, we suggest a facile electrochemical cathodization treatment for the controllable evolution of a Cu‐MOF to improve its electrocatalytic performance. When a cathodic potential was applied, Cu‐based structures evolving from Cu‐MOF with different crystal phases, surface compositions, and morphologies were harvested by controlling the cathodization time. The obtained copper‐based structures were found to have much higher activities than the as‐synthesized Cu‐MOF for glucose electrocatalysis in alkaline media. A 60 second cathodization treatment resulted in the largest sensitivity for glucose electrocatalytic sensing.
Triazine‐Based Highly Stable AADD‐Type Self‐Complementary Quadruple Hydrogen‐Bonded Systems Devoid of Prototropy
Authors: Kheria Sanjeev , Rayavarapu Suresh , Kotmale Amol S. , Gonnade Rajesh G. , Sanjayan Gangadhar J. 
Published: November 2016

AbstractA new class of 1,3,5‐triazine‐based quadruple hydrogen‐bonded system featuring AADD‐type self‐complementary arrays has been developed and characterized. This system forms highly stable molecular duplex in non‐polar solvent (Kdim>1.9×107 m−1 in CDCl3) without prototropy‐related issues, raising its prospects for application in supramolecular polymer science.
Structures and Properties of Three Solvent‐Dependent Chiral Compounds Based on N‐Benzoyl‐L‐glutamic Acid
Authors: Shi Yajing , Li Na , Song Huihua , Yu Haitao 
Published: November 2016

AbstractThree solvent‐dependent chiral copper(II) compounds, {[Cu2(bzgluO)2(H2O)2]·4H2O}n (1), {[Cu2(bzgluO)2(DMSO)2]·H2O}n (2) and [Cu2(bzgluO)2(DMF)2]n (3) (H2bzgluO=N‐benzoyl‐L‐glutamic acid) have been synthesized under ambient temperature conditions and characterized by elemental analysis, IR spectra, UV spectra, thermogravimetric analysis, powder X‐ray diffraction (PXRD) and single‐crystal X‐ray diffraction. Compounds 1 and 2 both crystallize in the orthorhombic space group P212121. Compound 3 crystallizes in the tetragonal space group P43. Compound 1 exhibits a ladder‐like 1D chain structure, which is extended by hydrogen‐bonding interactions to form a 3D supramolecular network. Compounds 2 and 3 both give a diamond‐like 3D structure. Besides, there are hydrogen‐bonding interactions in 2. The structural difference indicates that the solvent system plays a crucial role in modulating structures of coordination compounds. Circular dichroism (CD) and the magnetic properties of the compounds have also been investigated.
A Simple and Novel Electrochemical Sensor Based on Phosphomolybdic‐Polypyrrole Film Modified Electrode for Highly Sensitive Detection of Cholic Acid
Authors: Fan Lifang , Tian Xinxin , Shuang Shaomin , Dong Chuan 
Published: November 2016

AbstractA simpe electrochemical sensor for detection of cholic acid (CA) was designed by modifying phosphomolybdate (PMo12) doped polypyrrole (PPy) film on glassy carbon electrode (PMo12‐PPy/GCE). The electrochemical behavior of CA on PMo12‐PPy/GCE was investigated by cyclic voltammetry and 0.5 order differential voltammetry. The results indicated that CA had high inhibitory activity toward the peak currents of PMo12‐PPy/GCE. The reduction peak currents were linearly related to the logarithmic value of the concentration of CA from 1.0×10−7 to 1.0×10−3 mol/L with a low detection limit of 1.0×10−8 mol/L. The developed sensor exhibited excellent sensitivity, selectivity and stability for detection of CA, and it could be successfully applied to detect the level of CA in the urine samples. Moreover, the response mechanism of CA on the PMo12‐PPy/GCE was discussed in detail.
Design of Flexible and Self‐Standing Electrodes for Li‐Ion Batteries
Authors: Bourgeois Jean‐Pierre , Vlad Alexandru , Melinte Sorin , Gohy Jean‐François 
Published: November 2016

AbstractFlexible portable electronic devices have attracted increasing attention during the last decade. Energy consumption of such devices is ever increasing and performing power sources, that are moreover flexible, need to be developed to seamlessly integrate into such architectures. While lithium‐ion batteries appear to be the best solution to meet the power and energy requirements, their structural and mechanical considerations still need to be addressed. Here, we realize and study the impact on the electrochemical performances of carbon nanotubes (CNTs) based, current collector‐free and binder‐free, Li‐ion battery electrodes. Multi‐walled carbon nanotubes acting as a mechanical and electron conductive scaffold enable structural flexibility and good electrochemical performances. Flexible Li‐ion cells made with such electrodes show promising performances while being realized through simple manufacturing approaches.
Fibrinolytic Evaluation of Compounds Isolated from a Marine Fungus Stachybotrys longispora FG216
Authors: Guo Ruihua , Zhang Yiting , Duan Dong , Fu Qiang , Zhang Xiangyu , Yu Xiaowei , Wang Shujun , Bao Bin , Wu Wenhui 
Published: November 2016

AbstractAs a part of our continuing work to discover bioactive leading molecules from marine microorganism, ethyl acetate fraction of organic extract of the train Stachybotrys longispora FG216 showed fibrinolytic activity in our primary screen. The bioassay‐guided purification of the active fractions resulted in isolation of a new isoindolone, FGFC2 (1) (FGFC2, Fungi fibrinolytic compound 2), together with two known compounds, LL‐Z1272β (2) and ergosterol (3). The structure of compound 1 was elucidated by the spectral analysis of 1D (1H, 13C) NMR, 2D (COSY, HSQC, and HMBC) and ESI‐MS. Three compounds were evaluated for fibrinolytic activities in vitro. Compared to FGFC1 (EC5047 µmol/L) as a reference drug, compound 1 and ergosterol (3) showed moderate fibrinolytic activities in vitro with EC50 values of 108.16 and 156.30 µmol/L, respectively. LL‐Z1272β (2) had no fibrinolytic activity.
Macromolecular and Small Molecular Crowding Have Similar Effects on α‐Synuclein Structure
Authors: Bai Jia , Liu Maili , Pielak Gary J. , Li Conggang 
Published: November 2016

AbstractThe intracellular milieu contains upwards of 400 g of macromolecules per liter. This crowding is thought to have a larger influence on intrinsically disordered proteins, whose chains are expanded, than on compact globular proteins. Classic theories of macromolecular crowding predict that increasing excluded volume effects will lead disordered proteins to compaction, and a great deal of data, from both simulation and experiments support this idea. We used nuclear magnetic resonance, circular dichroism, and fluorescence spectroscopies to characterize the structure and fibrillation of α‐synuclein, an intrinsically disordered protein implicated in Parkinson's disease, using Ficoll70, its monomer sucrose and bovine serum albumin as crowding agents. Surprisingly, volume exclusion induced by high concentrations of macromolecules may not be the main reason for the compaction of α‐synuclein. Our results indicate that all aspects crowding must be considered to understand protein conformation under crowded conditions.
Efficient DEM‐based overland flow routing using integrated recursive algorithms
Authors: Huang Pin‐Chun , Lee Kwan Tun 
Published: November 2016

AbstractTwo primary concerns in performing watershed overland flow routing are the numerical instability and computational efficiency. The stability of executing an explicit scheme has to be maintained by observing the Courant–Friedrich–Lewy criterion, which is adopted to confirm that the numerical marching speed is larger than the wave celerity. Moreover, there is another criterion of time step devised in previous studies to avoid back‐and‐forth refluxing between adjacent grids. The situation of refluxing usually occurs on flat regions. In light of this, the selection of a small time increment to honor both restrictions simultaneously is believed to decrease the computational efficiency in performing overland flow routing. This study aims at creating a robust algorithm to relax both restrictions. The proposed algorithm was first implemented on a one‐dimensional overland plane to evaluate the accuracy of the numerical result by comparing it with an analytical solution. Then, the algorithm was further applied to a watershed for 2D runoff simulations. The results show that the proposed integrated algorithm can provide an accurate runoff simulation and achieve satisfactory performance in terms of computational speed.
A weight-of-evidence approach for deriving a level of concern for atrazine that is protective of aquatic plant communities
Authors: Moore Dwayne RJ , Greer Colleen D , Manning Gillian , Wooding Katie , Beckett Kerrie J , Brain Richard A , Marshall Gary 
Published: November 2016

Abstract

Atrazine is a selective triazine herbicide widely used in the United States primarily for control of broadleaf weeds in corn and sorghum. In 2003, the US Environmental Protection Agency (USEPA) concluded that atrazine poses potential risks to sensitive aquatic species. Consequently, a surface water monitoring program was developed to assess whether measured levels of atrazine could impact aquatic plants in vulnerable watersheds. To facilitate evaluation of the monitoring data, the Agency needed to establish a level of concern (LOC) below which atrazine would not cause unacceptable adverse effects to aquatic plant communities. Several attempts at developing a community-level LOC have followed from USEPA but none have been formally accepted or endorsed by independent Scientific Advisory Panels. As part of registration review, the USEPA needs to revisit development of a community-level LOC for atrazine that will be protective of aquatic plant communities. This article reviews 4 methods that can or have been used for this purpose. Collectively, the methods take advantage of the large number of single species and mesocosm studies that have been conducted for aquatic plants exposed to atrazine. The Plant Assemblage Toxicity Index (PATI) and the Comprehensive Aquatic Systems Model for atrazine (CASMATZ2) incorporate single-species toxicity data but are calibrated with micro- and mesocosm study results to calculate community-level LOCs. The Brock et al. scoring system relies exclusively on mesocosm studies. Single-species toxicity data were used in a modified version of the USEPA's Water Quality Criteria (WQC) method. The 60-day LOCs calculated using the 4 methods ranged from 19.6 to 26 µg/L. A weight-of-evidence assessment indicated that the CASMATZ2 method was the most environmentally relevant and statistically reliable method. Using all 4 methods with weights based on method reliability, the weighted 60-day LOC was 23.6 µg/L. Integr Environ Assess Manag 2017;13:686–701. © 2016 SETAC

Key Points
A level of concern (LOC) that is protective of aquatic plant communities is required for atrazine by the USEPA to interpret monitoring data and for decision making. The USEPA has not been successful in developing such an LOC. We evaluated 4 methods for deriving an atrazine LOC, each having strengths and weaknesses. Using the results of our weight-of-evidence evaluation of available methods, we developed an LOC of 23.6 µg/L for atrazine protective of aquatic plant communities.
Liquid–liquid synthesis of oximes from carbonyl compounds: formation under neutral conditions and degradation at acidic hydrometallurgical process conditions
Authors: Kabugo James , Virolainen Sami , Paatero Erkki , Sainio Tuomo 
Published: November 2016

AbstractBACKGROUNDIn order to elucidate kinetics in the synthesis of oxime liquid–liquid extraction reagents, used as ligands in hydrometallurgical copper production, the oximation reactions of salicylaldehyde and 2′‐hydroxyacetophenone with hydroxylamine were studied in a two‐phase system. Two experimental methods were applied: CSTR reactor under vigorous mixing and batch reactor under normal agitation. The reverse reaction in acidic conditions was also examined, because it results in hydroxyoxime reagent losses in copper liquid–liquid extraction process.RESULTSThe overall oximation reaction was of a second‐order, first‐order with respect to each reactant. The estimated activation energy for oximation of salicylaldehyde was 34.2 kJ mol−1, and interfacial reaction rate constant at 40°C 4.81 × 10−3 L mol−1 s−1. The model used, including the empirical description for interfacial reactant concentrations, described the salicylaldehyde oximation reaction well over a wide concentration range. In the batch reactor more than 0.99 conversion for salicylaldehyde was achieved in 15 min at 50°C, but for 2′‐hydroxyacetophenone the maximum reaction conversion was only 0.17 at 70°C in 60 min. Both, aldoxime and ketoxime, were hydrolyzed into their corresponding carbonyl compounds in the presence of 180 g L−1 sulfuric acid. The ketoxime was completely converted into a ketone, but with the aldoxime 80% reagent degradation was observed at equilibrium.CONCLUSIONA liquid–liquid system in neutral conditions is applicable for the oximation of aldehydes generated by degradation of hydroxyoxime solvent extraction reagents. For ketones the reaction is much slower. The degradation reaction was shown to be significant in conditions similar to the copper liquid–liquid extraction stripping stage. © 2016 Society of Chemical Industry
Intra‐individual variability in job complexity over time: Examining the effect of job complexity trajectory on employee job strain
Authors: Li Junchao (Jason) , Burch Tyler C. , Lee Thomas W. 
Published: November 2016

SummaryDrawing on gestalt characteristics theory, we advance the literature on the effect of job complexity on employee well‐being by considering intra‐individual variability of job complexity over time. Specifically, we examine how the trend, or trajectory, of job complexity over time can explain unique variance of employee job strain. Across two longitudinal data sets, we consistently find that, with the average level of job complexity during a given period held constant, a positive job complexity trajectory (i.e., an increasing trend in complexity) is associated with higher employee job strain. Based on job‐demand‐control theory and the exposure‐reactivity model, we further establish that job autonomy and employee emotional stability jointly moderate the relationship between job complexity trajectory and employee job strain. Specifically, for employees with high emotional stability, job autonomy mitigates the job strain brought by positive job complexity trajectory, whereas for employees with low emotional stability, job autonomy does not help to reduce the adverse effect of the increasing trend. These findings not only contribute to extend the understanding of the job complexity – strain relationship, but also suggest a promising, dynamic avenue to study the effects of work characteristics on employee well‐being as well as other outcomes. Copyright © 2016 John Wiley & Sons, Ltd.
Life cycles of agriculturally relevantENSOteleconnections in North and South America
Authors: Anderson Weston , Seager Richard , Baethgen Walter , Cane Mark 
Published: November 2016

ABSTRACTThe characteristic evolution of El Niño Southern Oscillation (ENSO) on timescales of months to years means that risks to agriculture have structure between seasons and years. The potential for consecutiveENSO‐induced yield anomalies is of particular interest in major food producing areas, where modest changes in yield have significant effects on global markets. In this study, we analyse how multi‐year El Niño and La Niña life cycles relate to climate sensitive portions of major crop‐growing seasons in North and South America.We analyse the dynamics underlying these life cycles to illustrate which aspects of the system are most important for agriculture. In North America, the same‐season teleconnections affecting soybean and maize have been well studied, but we demonstrate the importance of lagged soil moisture teleconnections for wheat in the southern Great Plains. In South America, peakENSOsea surface temperature (SST) teleconnections are concurrent with, and therefore critical for, wheat and maize growing seasons while soil moisture memory in Argentina plays an important role during the soybean growing season.Finally, we show thatENSOteleconnection life cycles are consistent with historical yield anomalies. Both El Niño and La Niña life cycles tend to force consecutive seasons of either above or below expected yields. While the magnitude of the yield anomalies forced byENSOis often modest, they occur in major crop‐producing regions.
Characterization of antimicrobial resistance and quinolone resistance factors in high‐level ciprofloxacin‐resistant Enterococcus faecalis and Enterococcus faecium isolates obtained from fresh produce and fecal samples of patients
Authors: Kim Min‐Chan , Woo Gun‐Jo 
Published: November 2016

AbstractBACKGROUNDThe emergence of fluoroquinolone‐resistant enterococci is worldwide. Antimicrobial resistance was characterized and the effect of quinolone‐resistance factors was analyzed in high‐level ciprofloxacin‐resistant (HLCR) Enterococcus faecalis and Enterococcus faecium isolated from fresh produce and fecal samples of patients.RESULTSAmong the 81 ciprofloxacin‐resistant Enterococcus isolates, 46 showed high levels of ciprofloxacin resistance, resistance to other quinolone antibiotics, and multidrug resistance profiles. The virulence factors esp and hyl were identified in 27 (58.7%) and 25 (54.3%) of isolates, respectively. Sequence type analysis showed that 35 strains of HLCR E. faecium were clonal complex 17. Eleven strains of HLCR E. faecalis were confirmed as sequence type (ST) 28, ST 64 and ST 125. Quinolone resistance‐determining region mutation was identified in HLCR Enterococcus isolates; with serine being changed in gyrA83, gyrA87 and parC80. This result shows that gyrA and parC mutations could be important factors for high‐level resistance to fluoroquinolones.CONCLUSIONNo significant differences were observed in antimicrobial resistance patterns and genetic characteristics among the isolates from fresh produce and fecal samples. Therefore, good agricultural practices in farming and continuous monitoring of patients, food and the environment for Enterococcus spp. should be performed to prevent antimicrobial resistance and enable reduction of resistance rates. © 2016 Society of Chemical Industry