bluuebunny/crossref_metadata_2025_split huggingface dataset:
Metabolomics analysis reveals distinct profiles of nonmuscle‐invasive and muscle‐invasive bladder cancer
Authors: Sahu Divya , Lotan Yair , Wittmann Bryan , Neri Bruce , Hansel Donna E. 
Published: August 2017

AbstractUrothelial carcinoma is the most common form of bladder cancer, but pathway changes that occur with stage‐wise progression have not been well defined. We used a metabolomics approach to identify potential metabolic pathways uniquely altered in normal urothelium, nonmuscle‐invasive bladder cancer (NMIBC), and muscle‐invasive bladder cancer (MIBC). We performed global metabolomic profiling using GC‐mass spectrometry (MS) and LC‐MS platforms to identify metabolite signatures between normal urothelium and high‐grade urothelial carcinoma of different stages. Pathways globally dysregulated in cancer relative to normal urothelium included glucose, tricarboxylic acid (TCA) cycle, lipid, amino acid, and nucleotide pathways. Urothelial carcinoma showed elevated glucose utilization for glycolysis and increased sorbitol pathway intermediates, consistent with Warburg effect. Anaplerosis to sustain energy production suggested by increased late TCA cycle intermediates, amino acids, and dipeptides occurs in bladder cancer. Urothelial carcinoma also shows altered membrane lipid membrane metabolism and differential derivation of nucleic acid components pyrimidine and purine. In stage comparison, MIBC appears to preferentially enhance cyclooxygenase (COX) and lipoxygenase (LOX) signaling, increase heme catabolism, and alter nicotinamide adenine dinucleotide (NAD+) synthesis with a possible influence from associated inflammatory cells. We identify numerous metabolomic alterations in NMIBC and MIBC that likely reflect underlying pathway changes. Differential pathway activity may have value in designing stage‐specific novel therapeutics in urothelial carcinoma.
DNA Arrays with a Silver Lining
Authors: Chandrasekaran Arun Richard 
Published: August 2017

AbstractThe development of molecular electronics is one of the current focuses of bottom‐up nanotechnology. DNA has been the building block for nanostructures with a variety of applications, and its use has been extended to the formation of conducting nanowires. The one‐dimensional silver/DNA hybrid arrays reported recently are a step towards achieving longer DNA nanowires.
Coronary atherectomy is associated with improved procedural and clinical outcomes among patients with calcified coronary lesions: Insights from the VA CART program
Authors: Armstrong Ehrin J. , Stanislawski Maggie A. , Kokkinidis Damianos G. , Plomondon Mary E. , Barón Anna E. , Giri Jay , Shunk Kendrick A. , Banerjee Subhash , Maddox Thomas M. , Waldo Stephen W. 
Published: August 2017

AbstractObjectivesWe sought to evaluate the prevalence of calcified coronary lesions and the association between the use of atherectomy and clinical outcomes.BackgroundCalcified coronary arteries are associated with an increased risk of procedural complications during percutaneous coronary intervention (PCI). The outcomes of coronary atherectomy for adjunctive treatment of calcified coronary lesions are not well described.MethodsWe identified all patients treated for calcified coronary lesions at VA hospitals. A propensity weighted cohort was created for those treated with or without adjunctive atherectomy to evaluate the complications and outcomes between groups.ResultsFrom 2007 to 2015, 9,719 patients underwent single‐vessel PCI for treatment of naïve native calcific coronary lesions. The proportion of patients undergoing revascularization of calcified lesions increased over the study period (P = 0.03) and 1,731 patients (18%) were treated with atherectomy. Adjunctive atherectomy was more likely to be used in high‐risk lesions (76.5% vs. 46.8%, P < 0.001). After propensity weighting, coronary atherectomy was associated with a 38% decrease in the odds of procedural complications and a 54% decrease in the odds of clinical complications (both P = 0.005). There was no difference in rates of 2‐year death (HR: 1.07; 95% CI: 0.92–1.24), myocardial infarction (HR: 0.96; 95% CI: 0.75–1.23) or target vessel revascularization (HR: 0.96; 95% CI: 0.78–1.19)ConclusionsPercutaneous treatment of calcified coronary lesions has increased over time. The adjunctive use of coronary atherectomy was associated with a reduction in procedural complications among patients with calcified coronary arteries. Two‐year TVR, MI and overall mortality were similar between the two groups.
Nitrogen‐Doped Cobalt Ferrite/Carbon Nanocomposites for Supercapacitor Applications
Authors: Alshehri Saad M. , Ahmed Jahangeer , Alhabarah Ameen N. , Ahamad Tansir , Ahmad Tokeer 
Published: August 2017

AbstractNitrogen‐doped CoFe2O4/C (NCFC) nanocomposites (NCs) with an average size of 10 nm were obtained from the polymeric route, using egg white albumin followed by firing at 700 °C/3 h under the flow of helium gas. Structural and morphological studies of prepared materials were investigated by using powder X‐day diffraction, X‐ray photoelectron spectroscopy, and electron microscopic techniques. NCFC‐NCs exhibit excellent supercapacitive performances compared to pure MFe2O4 nanoparticles (M=Ni, Co, Cu, etc.). The specific capacitance (Cs) of NCFC‐NCs was found to be approximately 474 F/g, which is around five times higher than that of pure CoFe2O4 nanoparticles (Cs=94 F/g) at a scan rate of 5 mV/s in 5 M KOH. The energy densities of NCFC‐NCs and pure CoFe2O4 nanoparticles were found to be about 116 and 23 Wh/kg, respectively. Galvanostatic charge−discharge measurements of NCFC‐NCs reveals the loss of less energy and the discharge time of the nanocomposites was found to be approximately ten times higher compared to pure CoFe2O4 nanoparticles for 50 segments. The stability tests of the materials were also carried out by the cyclic voltammetry, chronoamperometry, and chronopotentiometric measurements for the purpose of industrial applications.
High‐Rate Polyaniline/Carbon‐Cloth Electrodes: Effect of Mass Loading on the Pseudocapacitive Performance
Authors: Tomšík Elena , Ivanko Iryna , Kohut Olena , Hromádková Jiřina 
Published: August 2017

AbstractPolyaniline/carbon‐cloth electrodes with various mass loadings of polyaniline are prepared for use as high‐rate charge/discharge pseudocapacitors. The dependence of the capacitance, energy, and power density on the polyaniline mass loading is studied in the current work to determine the operating power spectrum of the polyaniline/carbon‐cloth electrodes. In this work, we demonstrate for the first time that the polyaniline/carbon‐cloth electrode simultaneously possesses high values of the specific and areal characteristics. Moreover, we show that such high values of the specific power and energy were obtained with time constants in the range from 0.8 to 6.25 s, depending on the amount of active material used. It is determined that the maximum areal capacitance is obtained for the highest mass loading of polyaniline with a value of 2450 mF/cm2 measured at 75 mA/cm2, corresponding to an areal energy density of 265 μWh/cm2 and areal power density of 48 mW/cm2. On the other hand, the maximum specific capacitance is obtained for the lowest mass loading of polyaniline with a value of 1120 F/g measured at 28 A/g, corresponding to a specific energy of 147 Wh/kg and specific power of 19 kW/kg.
Synthetic Talc and Talc‐Like Structures: Preparation, Features and Applications
Authors: Claverie Marie , Dumas Angela , Carême Christel , Poirier Mathilde , Le Roux Christophe , Micoud Pierre , Martin François , Aymonier Cyril 
Published: August 2017

AbstractThis contribution gives a comprehensive review about the progress in preparation methods, properties and applications of the different synthetic talc types: i) crystalline nanotalc synthesized by hydrothermal treatment; ii) amorphous and/or short‐range order nanotalc obtained by precipitation, and iii) organic–inorganic hybrid talc‐like structures obtained through a sol–gel process or a chemical grafting. Several advantages of nanotalc such as high chemical purity, high surface area, tunable submicronic size, high thermal stability, and hydrophilic character (leading to be the first fluid mineral) are emphasized. Synthetic nanotalc applications are also considered including its use as nanofiller in composite materials, as absorbers of organic compounds, as anticorrosion coatings and as agents for cosmetic applications. Regarding their high industrial application potential, intensive research has been carried out to better understand their behavior and develop processes to produce them. To facilitate further research and development, scientific and technical challenges are discussed in this Review article.
Long Straczekite δ‐Ca0.24V2O5⋅H2O Nanorods and Derived β‐Ca0.24V2O5 Nanorods as Novel Host Materials for Lithium Storage with Excellent Cycling Stability
Authors: Ma Yining , Zhou Huaijuan , Zhang Shuming , Gu Sui , Cao Xun , Bao Shanhu , Yao Heliang , Ji Shidong , Jin Ping 
Published: August 2017

AbstractNanorods of δ‐Ca0.24V2O5⋅H2O, a straczekite group mineral with an open double‐layered structure, have been successfully fabricated by a facile hydrothermal method and can be transformed into the tunnel β geometry (β‐Ca0.24V2O5) through a vacuum annealing treatment. The generated β‐Ca0.24V2O5 still preserves the nanorod construction of δ‐Ca0.24V2O5⋅H2O without substantial sintering and degradation of the nanostructure. As cathode materials, both calcium vanadium bronzes exhibit high reversible capacity, good rate capability, as well as superior cyclability. Compared with the hydrated vanadium bronze, the β‐Ca0.24V2O5 nanorods show better cycling performance (81.68 and 97.93 % capacity retention after 200 cycles at 100 and 400 mA g−1, respectively) and excellent long‐term cyclic stability with an average decay of 0.035 % per cycle over 500 cycles at 500 mA g−1. Note that the double‐layered δ‐Ca0.24V2O5⋅H2O electrode irreversibly converts into β‐CaxV2O5 phase during the initial Li+ insertion/extraction process, while in contrast, the β‐phase calcium vanadium bronze electrode shows excellent structural stability during cycling. The excellent electrochemical performance demonstrates that the two calcium vanadium bronzes are potential cathode candidates for rechargeable lithium‐ion batteries.
Catalytic Functionalization of Styrenyl Epoxides via 2‐Nickela(II)oxetanes
Authors: Desnoyer Addison N. , Geng Jialing , Drover Marcus W. , Patrick Brian O. , Love Jennifer A. 
Published: August 2017

AbstractLow‐valent nickel is shown to preferentially isomerize mono‐ or disubstituted epoxides into their corresponding aldehydes. Experiments with tetrasubstituted epoxides demonstrate that these reactions proceed via reactive 2‐nickelaoxetane intermediates, and that the oxidative addition step likely occurs with retention of configuration. The monosubstituted aldehyde isomerization products were found to rapidly react with HBpin to form boronate esters. These hydroboration reactions could be performed catalytically.
Optimizing the Accuracy and Computational Cost in Theoretical Squaramide Catalysis: The Henry Reaction
Authors: Alegre‐Requena Juan V. , Marqués‐López Eugenia , Herrera Raquel P. 
Published: August 2017

AbstractThis study represents the first example where the accuracy of different combinations of density functional theory (DFT) methods and basis sets have been compared in squaramide catalysis. After an optimization process of the precision obtained and the computational time required in the computational calculations, highly precise results were achieved compared to the experimental outcomes while requiring the least amount of time possible. Here, we have explored computationally and experimentally the mechanism of the squaramide‐catalyzed Henry reaction. This is a complex reaction of about 100 atoms and a great number of diverse non‐covalent interactions. Moreover, this research is one of the scarce examples where the organocatalyst acts in a trifunctional manner and is the first investigation in which a trifunctional squaramide catalyst has been employed. Functional ωB97X‐D showed the best results when used with different versions of the 6‐311 basis sets, leading to highly accurate calculations of the outcomes of the Henry reaction when using nine aldehydes with different structural characteristics. Furthermore, in these relatively large systems, the use of a split‐valence triple‐zeta basis set saves a large amount of time compared with using larger basis sets that are sometimes employed in organocatalytic studies, such as the TZV and Def2TZV basis set families.
Chiral dialkyl ditellurides: Conformation of chiral chromophore by circular dichroism and DFT calculation
Authors: Ścianowski Jacek , Pacuła Agata J. , Skowronek Paweł 
Published: August 2017

AbstractThe twisted structure of ditellurides, in a similar way as in other dichalcogenes, leads to different absorption of circularly polarized light by quasi‐enantiomeric chiral orbitals. Chiral optically active ditellurides are not common compounds and this phenomenon is not widely reported. As chiral ditellurides found an application in asymmetric synthesis, their molecular structure, understood as their conformation, became an important factor for understanding their reactivity. Until now there are few examples of chiral ditellurides known and their structure was not analyzed in details. This article presents the results of our most recent research on the structure of chiral ditellurides investigated by electronic circular spectroscopy (ECD) supported by quantum‐chemical calculation. This enables us to suggest a relationship between chirality of alkyl substituent and chirality (conformation) of ditelluride.
Chirality sensing of bioactive compounds with amino alcohol unit via circular dichroism
Authors: Górecki Marcin , Groszek Grażyna , Frelek Jadwiga 
Published: August 2017

AbstractThe aim of the present work was to test various chiroptical techniques, including in particular the in situ dirhodium methodology, to assign the absolute configuration of 1,2‐ and 1,3‐amino alcohols. As models, we selected mainly compounds that have both an additional strongly absorbing and interfering chromophoric system and application in medicinal chemistry. Determination of the absolute configuration (AC) of the tested molecules such as cinchona alkaloids, Tamiflu, and others was carried out using a combination of electronic and vibrational circular dichroism (ECD, VCD) spectroscopy. It has been demonstrated that both 1,2‐ and 1,3‐aminol moieties are subject to the same sector rule correlating stereostructure of formed Rh2‐complex with chiroptical properties, and that the changes in the position of the stereogenic center do not affect its proper use.
Fermentable sugars production by enzymatic processing of agave leaf juice
Authors: González‐Llanes Marcos D. , Hernández‐Calderón Oscar M. , Rios‐Iribe Erika Y. , Alarid‐García Cristian , Castro Montoya Agustín J. , Escamilla‐Silva Eleazar M. 
Published: August 2017

AbstractThe Mexican mezcal industry annually processes approximately 2.92 × 105 t of mezcal agave, generating roughly 1.46 × 105 t of agave leaves per year, which represents a potential carbon source of at least 8170 t via enzymatic processing of agave leaf juice. This carbon source is considered an attractive alternative to produce biofuels and/or chemical products since it is produced and used without adversely affecting the environment. The aim of this investigation was to determine the effect of temperature, pH, enzyme concentration, and bioreaction time on the enzymatic hydrolysis of agave leaf juice enriched in fructan to maximize the fermentable sugars production from three varieties of mezcal agave, using a low‐cost commercial brand of hydrolase. This process generated a sugar‐enriched juice of 80.07–136.12 g/L of reducing sugars. A Box‐Behnken experimental design and a mathematical surface response analysis of the hydrolysis were used for process optimization.
Study on the volatilization inhibition performance and mechanism of monolayer during the leakage process of ammonia solution
Authors: Fangming Yang , Yan Wu , Lijuan Ma 
Published: August 2017

AbstractA new kind of ammonia solution evaporation inhibitor was prepared and tested. The effects of temperature on the volatilization characteristics of ammonia solution and the evaporation resistance of inhibitor were also investigated. The inhibitor prepared could rapidly and orderly be distributed on the liquid surface, its inhibition rate was up to 99 % at 25–45 °C, and the mass transfer coefficient of ammonia solution was near zero. In order to explain the mechanism, molecular simulation, energy barrier theory, and thermodynamic analysis were employed, the results were entirely consistent with that of experiment.
Thermal‐aware task assignments in high performance computing clusters
Authors: Taneja Shubbhi , Kulkarni Sanjay , Zhou Yi , Qin Xiao 
Published: August 2017

SummaryCluster‐level thermal management has gained much attention over the past decade due to rising cooling costs associated with data centers. In this research, we propose and implement a static scheduler called SSched and a dynamic one named DSched. These 2 algorithms schedule jobs based on CPU and disk temperatures of a Hadoop cluster's nodes. Our schedulers rely on a monitoring mechanism to keep track of CPU and disk utilization, maintaining CPU and disk temperatures below a threshold through thermal‐aware scheduling decisions. To facilitate the design of SSched and DSched, we classify jobs into the CPU‐intensive and disk‐intensive categories. When a job arrives, SSched retrieves the utilization stats from a profiled log, estimates the thermal behavior, and places the job on NodeManager to minimize thermal impacts. Unlike SSched, DSched improves thermal efficiency of Hadoop clusters through dynamic load balancing. DSched keeps track of the coolest and hottest nodes in the cluster; tasks are migrated from hot nodes into cool ones if any hot spot is detected. To evaluate the effectiveness of our schedulers, we keep track of average CPU and disk temperatures in a node, managing an optimal outlet temperature across a cluster. We demonstrate that compared with the traditional Hadoop scheduler, SSched and DSched achieve approximately 15% savings in terms of cooling cost with little performance overhead.
Smart Amphiphilic Janus Microparticles: One‐Step Synthesis and Self‐Assembly
Authors: Ge Xue‐Hui , Geng Yu‐Hao , Chen Jian , Xu Jian‐Hong 
Published: August 2017

AbstractSelf‐assembly is the process to form ordered compound structures. Theories and experiments involving nanosized Janus particles have proved that the assembled cluster structures are related to the unit number. Micrometer‐sized amphiphilic Janus particles could also act as surfactants to stabilize droplets and aggregate to form clusters. When the scale order increases to the millimeter size, particles are usually connected under shape‐match mechanism, which means that the assembled structure is related to the particular particle morphology rather than the particle number. Similar to millimeter‐sized particles, sub‐millimeter‐sized particles are larger and heavier such that their gravity cannot be ignored, whereas their Brownian motion could be neglected. To investigate the self‐assembly behavior of sub‐millimeter‐sized Janus particles, we synthesize smart amphiphilic Janus microparticles directly from water–oil Janus droplets in one step by using a double‐core capillary device. We find that the amphiphilic Janus particles could also be distributed directionally between the sides of the water–oil interface. When in oil solutions with several water droplets, the particles self‐assemble into micelle‐like structures to cover the water droplets with the hydrophilic phase inside. After evaporation, structures with a hydrophilic concave and a hydrophobic convex are formed. This paper demonstrates that sub‐millimeter‐sized amphiphilic Janus particles exhibit similar ability to nano‐sized Janus particles to aggregate into clusters with ordered structures.
3D Differentiation of LUHMES Cell Line to Study Recovery and Delayed Neurotoxic Effects
Authors: Harris Georgina , Hogberg Helena , Hartung Thomas , Smirnova Lena 
Published: August 2017

AbstractCurrent neurotoxicity testing and the study of molecular mechanisms in neurodegeneration in vitro usually focuses on acute exposures to compounds. 3D Lund human mesencephalic (LUHMES) cells allow long‐term treatment or pulse exposure in combination with compound washout to study delayed neurotoxic effects as well as recovery and neurodegeneration pathways. In this unit we describe 3D LUHMES culture and characterization. Characterization of the model involves immunocytochemistry, flow cytometry, and qPCR measurements. Studying the delayed effects of compounds is more relevant to human exposures and neurodegenerative diseases with a strong genetic or environmental component. Most assays for molecular endpoints have been developed for monolayer cell culture and therefore need to be adapted for 3D models. In this unit, we further describe toxicological assays for molecular endpoints such as ATP levels, mitochondrial viability, and neurite outgrowth, which have been adapted for use in 3D LUHMES cultures. © 2017 by John Wiley & Sons, Inc.
Measurement reliability of current perception threshold and pain threshold in parallel with blood sampling
Authors: Ogawa Takahiro , Kimoto Suguru , Nakashima Yoshio , Furuse Nobuhiko , Ono Masanori , Furokawa So , Okubo Masakazu , Yazaki Takahiro , Kawai Yasuhiko 
Published: August 2017

AbstractThe irritation and pain associated with oral blood sampling necessary to monitor glycemic control can alter oral sensation, but no studies have measured the reliability of oral sensation testing when performed concurrently with blood sampling. The primary and secondary aims of this study were to verify the measurement reliability of current perception threshold (CPT) and pain threshold (PT) tests performed before and after blood sampling and to investigate the differences in CPTs/PTs obtained from the oral cavity, hand, and foot, respectively. CPT/PT measurements were obtained from the oral mucosa and the tips of fingers and toes of 18 volunteers (10 males and 8 females, average age = 26.3 years) using electrical stimulation at frequencies of 5, 250, and 2,000 Hz. Participants also provided blood samples by pricking their own index fingers with a small needle. All subjects completed the following 3 conditions at once‐weekly intervals as follows: (a) sensory measurements followed by blood sampling (SB block); (b) blood sampling followed by sensory measurements (BS block); (c) sensory measurements without blood sampling (CO control block). Cronbach's α coefficients were over 0.78 for the SB, BS, and CO blocks, and are considered to be acceptable for assuring measurement reliability. The oral cavity had significantly lower CPT/PTs than both hands and feet, such that the threshold increased in the order oral cavity < hand < foot. CPT and PT measurements performed concurrently with blood sampling are both reliable and region specific, and for which the oral cavity is the most sensitive testing region.