bluuebunny/crossref_metadata_2025_split huggingface dataset:
Incorporating Oxygen Uncoupling Kinetics into Computational Fluid Dynamic Simulations of a Chemical Looping System
Authors: Hamilton Matthew A. , Whitty Kevin J. , Lighty JoAnn S. 
Published: June 2016

AbstractChemical looping with oxygen uncoupling (CLOU) is a carbon‐capture technology that utilizes a metal oxide as an oxygen carrier to separate oxygen from air and releases gaseous O2 into a reactor where fuel is fed. Earlier experimental and simulated work has been performed on systems less than 1 MW. Previous work has been limited to one‐dimensional kinetic simulations. Literature kinetics were modified to work in a Barracuda‐VR simulation package. A simplified spreadsheet model was used to verify the Barracuda‐VR simulation adaption of the kinetics to previously published results. The simulated kinetics, literature models, and raw data matched well. The adapted kinetics were then incorporated into a 10 kW dual bubbling bed CLOU system three‐dimensional simulation. The simulations predicted carbon capture efficiency similar to that reported previously for similar systems. The solid circulation rate, temperature profile, and gas concentration profiles followed the expected trends. The overall three‐dimensional simulation of kinetics showed reasonable results for what has been previously reported.
A Degradation Model for Solid Oxide Fuel Cell Anodes Due to Impurities in Coal Syngas: Part II Estimation of Tolerance Limits
Authors: Cayan F. N. , Sezer H. , Celik I. 
Published: June 2016

AbstractAn engineering analysis based on calibrated numerical predictions was performed to estimate the minimum allowable impurity concentrations in coal syngas intended to be used in Solid Oxide Fuel Cells (SOFCs) operating for over 10,000 h. Arsine and phosphine, impurities that are known to have the most deleterious effects on the cell performance due to their affinity to have strong relations with the anode catalyst by formation of secondary phases, were investigated. Time to failure was taken as the operation time when 60% performance loss is incurred, estimated by the previously developed one‐dimensional degradation model. Limiting concentrations were determined for arsine and phosphine fuel contaminants for electrolyte and anode supported SOFCs. Predicted lifetimes for single cells can provide a basis for estimation of SOFC stack lifetimes operating on coal syngas. Extrapolation of results from the numerical simulations based on accelerated laboratory tests at relatively higher concentrations can provide guidance into predicting the cell failure at low impurity concentrations.
Parametric fMRI of paced motor responses uncovers novel whole‐brain imaging biomarkers in spinocerebellar ataxia type 3
Authors: Duarte João Valente , Faustino Ricardo , Lobo Mercês , Cunha Gil , Nunes César , Ferreira Carlos , Januário Cristina , Castelo‐Branco Miguel 
Published: June 2016

AbstractMachado‐Joseph Disease, inherited type 3 spinocerebellar ataxia (SCA3), is the most common form worldwide. Neuroimaging and neuropathology have consistently demonstrated cerebellar alterations. Here we aimed to discover whole‐brain functional biomarkers, based on parametric performance‐level‐dependent signals. We assessed 13 patients with early SCA3 and 14 healthy participants. We used a combined parametric behavioral/functional neuroimaging design to investigate disease fingerprints, as a function of performance levels, coupled with structural MRI and voxel‐based morphometry. Functional magnetic resonance imaging (fMRI) was designed to parametrically analyze behavior and neural responses to audio‐paced bilateral thumb movements at temporal frequencies of 1, 3, and 5 Hz. Our performance‐level‐based design probing neuronal correlates of motor coordination enabled the discovery that neural activation and behavior show critical loss of parametric modulation specifically in SCA3, associated with frequency‐dependent cortico/subcortical activation/deactivation patterns. Cerebellar/cortical rate‐dependent dissociation patterns could clearly differentiate between groups irrespective of grey matter loss. Our findings suggest functional reorganization of the motor network and indicate a possible role of fMRI as a tool to monitor disease progression in SCA3. Accordingly, fMRI patterns proved to be potential biomarkers in early SCA3, as tested by receiver operating characteristic analysis of both behavior and neural activation at different frequencies. Discrimination analysis based on BOLD signal in response to the applied parametric finger‐tapping task significantly often reached >80% sensitivity and specificity in single regions‐of‐interest.Functional fingerprints based on cerebellar and cortical BOLD performance dependent signal modulation can thus be combined as diagnostic and/or therapeutic targets in hereditary ataxia. Hum Brain Mapp 37:3656–3668, 2016. © 2016 Wiley Periodicals, Inc.
Nonuniform allocation of hippocampal neurons to place fields across all hippocampal subfields
Authors: Witharana W.K.L. , Cardiff J. , Chawla M.K. , Xie J.Y. , Alme C.B. , Eckert M. , Lapointe V. , Demchuk A. , Maurer A.P. , Trivedi V. , Sutherland R.J. , Guzowski J.F. , Barnes C.A. , McNaughton B.L. 
Published: June 2016

ABSTRACTThe mechanisms governing how the hippocampus selects neurons to exhibit place fields are not well understood. A default assumption in some previous studies was the uniform random draw with replacement (URDWR) model, which, theoretically, maximizes spatial “pattern separation”, and predicts a Poisson distribution of the numbers of place fields expressed by a given cell per unit area. The actual distribution of mean firing rates exhibited by a population of hippocampal neurons, however, is approximately exponential or log‐normal in a given environment and these rates are somewhat correlated across multiple places, at least under some conditions. The advantage of neural activity‐dependent immediate‐early gene (IEG) analysis, as a proxy for electrophysiological recording, is the ability to obtain much larger samples of cells, even those whose activity is so sparse that they are overlooked in recording studies. Thus, a more accurate representation of the activation statistics can potentially be achieved. Some previous IEG studies that examined behavior‐driven IEG expression in CA1 appear to support URDWR. There was, however, in some of the same studies, an under‐recruitment of dentate gyrus granule cells, indicating a highly skewed excitability distribution, which is inconsistent with URDWR. Although it was suggested that this skewness might be related to increased excitability of recently generated granule cells, we show here that CA1, CA3, and subiculum also exhibit cumulative under‐recruitment of neurons. Thus, a highly skewed excitability distribution is a general principle common to all major hippocampal subfields. Finally, a more detailed analysis of the frequency distributions of IEG intranuclear transcription foci suggests that a large fraction of hippocampal neurons is virtually silent, even during sleep. Whether the skewing of the excitability distribution is cell‐intrinsic or a network phenomenon, and the degree to which this excitability is fixed or possibly time‐varying are open questions for future studies. © 2016 Wiley Periodicals, Inc.
Magnetic Nanoparticle Supported Ionic Liquid Assisted Green Synthesis of Pyrazolopyranopyrimidines and 1,6‐diamino‐2‐oxo‐1,2,3,4‐tetrahydropyridine‐3,5‐ dicarbonitriles
Authors: Rigi Fatemeh , Shaterian Hamid Reza 
Published: June 2016

AbstractA simple and eco‐friendly green protocol was used for synthesis of pyrazolopyranopyrimidines via four‐component reaction of hydrazine hydrate, ethyl acetoacetate, barbituric acid or dimethyl barbituric acid, and aromatic aldehydes under thermal and solvent‐free conditions in the presence of magnetic nanoparticle supported silica bonded n‐propyl‐4‐aza‐1‐azoniabicyclo[2.2.2]octane chloride (MNPs@DABCO+Cl−) as an efficient, recyclable heterogeneous catalyst. MNPs@DABCO+Cl− also catalyzed the synthesis of 1,6‐diamino‐2‐oxo‐1,2,3,4‐tetrahydropyridine‐3,5‐dicarbonitrile derivatives by four‐component reaction of hydrazine hydrate, malononitrile, ethyl cyanoacetate and ketones under thermal and solvent‐free conditions at 80 °C. These methods are practical and offer many advantages, such as high yields, short reaction times, and simple work‐up.
Mechanical Properties andIn VitroPhysico‐chemical Reactivity of Gel‐derived SiO2–Na2O–CaO–P2O5Glass from Sand
Authors: Essien Enobong R. , Adams Luqman A. , Igbari Femi O. 
Published: June 2016

AbstractIn the present report, a bioactive glass was synthesized from silica sand as economic substitute to alkoxy silane reagents. Sodium metasilicate (Na2SiO3) obtained from the sand was hydrolyzed and gelled using appropriate reagents before sintering at 950 °C for 3 h to produce glass in the system SiO2Na2OCaOP2O5. Compression test was conducted to investigate the mechanical strength of the glass, while immersion studies in simulated body fluid (SBF) was used to evaluate reactivity, bioactivity and degradability. Furthermore, the glass samples were characterized by scanning electron microscopy (SEM), X‐ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and energy dispersive X‐ray spectroscopy (EDX) to evaluate the microstructure and confirm apatite formation on the glass surface. The glass, dominated by bioactive sodium calcium silicate, Na2Ca2Si3O9(combeite) crystals, had mechanical strength of 0.37 MPa and showed potentials for application as scaffold in bone repair.
Synthesis of NaX and NaY Zeolites from Tunisian Kaolinite as Base Catalysts: An Investigation of Knoevenagel Condensation
Authors: Ghrib Yosra , Frini‐Srasra Najoua , Srasra Ezzeddine 
Published: June 2016

AbstractThe synthesis of Faujasite‐type zeolites with high purity has been successfully performed from Tunisian kaolinite and the effects of different crystallization parameters on the final products were widely investigated. The alkaline fusion of kaolinite followed by hydrothermal treatment lead to zeolite NaX synthesis whereas the classic hydrothermal transformation of metakaolinite produces NaY zeolite. The results show that an increase in the synthesis temperature and time has improved the crystallization process of the zeolite NaX whereas the SiO2/Al2O3 and the Na2O/SiO2 molar ratios were the key parameters to obtain a pure zeolite NaY. The highest specific surface areas obtained with the optimal crystallization conditions were 554 m2 g−1 and 592 m2 g−1 for respectively NaX and NaY zeolites. The basic properties of NaX and NaY zeolites were explored in the Knoevenagel condensation of benzaldehyde with ethyl cyanoacetate at 140 °C as a test reaction in the absence of solvent. The influence of ion exchange with cesium cation on the catalytic activity of prepared catalysts was also investigated. It was found that the NaX provided higher activity than that of NaY catalyst due to its lower Si/Al ratio whereas a cesium exchange conferred higher basicity to the prepared Na‐faujasite.
Problem Clarity as a Moderator between Trait Affect and Self‐Perceived Creativity
Authors: Tang Chaoying , Li Qin , Kaufman James C. 
Published: June 2016

AbstractEmpirical studies on the relationship between affect and creativity often produce conflicting results. This inconsistency has led us to believe that the relationship between affect and creativity may be better understood by looking at potential moderators. Our study looked specifically at trait affect and self‐perceived creativity. Using the Affect Infusion Model (AIM) theory with problem clarity as the potential moderator, we hypothesized that when individuals are faced with problems that lack clarity, trait affect has greater sway over their self‐perceived creativity. Our results provided evidence that problem clarity moderated the relationship between positive trait affect and self‐perceived creativity; the positive relationship between positive trait affect and self‐perceived creativity is stronger when problem clarity is low and weaker when problem clarity is high. No moderating effect was found in the relationship between negative trait affect and self‐perceived creativity.
Characterization of the interactions between Escherichia coli receptors, LPS and OmpC, and bacteriophage T4 long tail fibers
Authors: Washizaki Ayaka , Yonesaki Tetsuro , Otsuka Yuichi 
Published: June 2016

AbstractBacteriophages have strict host specificity and the step of adsorption is one of key factors for determining host specificity. Here, we systematically examined the interaction between the Escherichia coli receptors lipopolysaccharide (LPS) and outer membrane protein C (OmpC), and the long tail fibers of bacteriophage T4. Using a variety of LPS mutants, we demonstrated that T4 has no specificity for the sugar sequence of the outer core (one of three LPS regions) in the presence of OmpC but, in the absence of OmpC, can adsorb to a specific LPS which has only one or two glucose residues without a branch. These results strengthen the idea that T4 adsorbs to E. coli via two distinct modes, OmpC‐dependent and OmpC‐independent, suggested by previous reports (Prehm et al. 1976; Yu and Mizushima 1982). Isolation and characterization of the T4 mutants Nik (No infection to K‐12 strain), Nib (No infection to B strain), and Arl (altered recognition of LPS) identified amino acids of the long tail fiber that play important roles in the interaction with OmpC or LPS, suggesting that the top surface of the distal tip head domain of T4 long tail fibers interacts with LPS and its lateral surface interacts with OmpC.
Bioavailability and metabolism of phenolic compounds from wholegrain wheat and aleurone‐rich wheat bread
Authors: Bresciani Letizia , Scazzina Francesca , Leonardi Roberto , Dall'Aglio Elisabetta , Newell Michael , Dall'Asta Margherita , Melegari Camilla , Ray Sumantra , Brighenti Furio , Del Rio Daniele 
Published: June 2016

ScopeThis work aimed at investigating absorption, metabolism, and bioavailability of phenolic compounds after consumption of wholegrain bread or bread enriched with an aleurone fraction.Methods and resultsTwo commercially available breads were consumed by 15 participants on three occasions and matched for either the amount of ferulic acid in the bread or the amount of bread consumed. Urine was collected for 48 h from all the volunteers for phenolic metabolite quantification. Blood samples were collected for 24 h following bread consumption in five participants. A total of 12 and 4 phenolic metabolites were quantified in urine and plasma samples, respectively. Metabolites were sulfate and glucuronic acid conjugates of phenolic acids, and high concentrations of ferulic acid‐4’‐O‐sulfate, dihydroferulic acid‐4’‐O‐sulfate, and dihydroferulic acid‐O‐glucuronide were observed. The bioavailability of ferulic acid was significantly higher from the aleurone‐enriched bread when all ferulic acid metabolites were accounted for.ConclusionsThe study shows that low amounts of aleurone‐enriched bread resulted in equivalent plasma levels of ferulic acid as wholegrain bread. This could suggest that, if the absorbed phenolic metabolites after wholegrain product intake exert health benefits, equal levels could be reached through the consumption of lower doses of refined products enriched in aleurone fraction.
Management of asymptomatic gene carriers of transthyretin familial amyloid polyneuropathy
Authors: Schmidt Hartmut H.‐J. , Barroso Fabio , González‐Duarte Alejandra , Conceição Isabel , Obici Laura , Keohane Denis , Amass Leslie 
Published: June 2016

ABSTRACTTransthyretin familial amyloid polyneuropathy (TTR‐FAP) is a rare, severe, and irreversible, adult‐onset, hereditary disorder caused by autosomal‐dominant mutations in the TTR gene that increase the intrinsic propensity of transthyretin protein to misfold and deposit systemically as insoluble amyloid fibrils in nerve tissues, the heart, and other organs. TTR‐FAP is characterized by relentless, progressively debilitating polyneuropathy, and leads to death, on average, within 10 years of symptom onset without treatment. With increased availability of disease‐modifying treatment options for a wider spectrum of patients with TTR‐FAP, timely detection of the disease may offer substantial clinical benefits. This review discusses mutation‐specific predictive genetic testing in first‐degree relatives of index patients diagnosed with TTR‐FAP and the structured clinical follow‐up of asymptomatic gene carriers for prompt diagnosis and early therapeutic intervention before accumulation of substantial damage. Muscle Nerve 54: 353–360, 2016
Impact of sugars and sugar taxation on body weight control: A comprehensive literature review
Authors: Bes‐Rastrollo Maira , Sayon‐Orea Carmen , Ruiz‐Canela Miguel , Martinez‐Gonzalez Miguel A. 
Published: June 2016

ObjectiveTo conduct a comprehensive literature review in the field of added‐sugar consumption on weight gain including the effect of fructose‐containing caloric sweeteners and sugar taxation.MethodsA search of three databases was conducted in the time period from the inception of the databases to August 2015. Sensitive search strategies were used in order to retrieve systematic reviews (SR) of fructose, sucrose, or sugar‐sweetened beverages (SSBs) on weight gain and metabolic adverse effects, conducted on humans and written in English, Spanish, or French. In addition, a review about SSB taxation and weight outcomes was conducted.ResultsThe search yielded 24 SRs about SSBs and obesity, 23 SRs on fructose or SSBs and metabolic adverse effects, and 24 studies about SSB taxation and weight control.ConclusionsThe majority of SRs, especially the most recent ones, with the highest quality and without any disclosed conflict of interest, suggested that the consumption of SSBs is a risk factor for obesity. The effect of fructose‐containing caloric sweeteners, on weight gain is mediated by overconsumption of beverages with these sweeteners, leading to an extra provision of energy intake. The tax tool alone on added sugars appears insufficient to curb the obesity epidemic, but it needs to be included in a multicomponent structural strategy.
Listeriosis downregulates hepatic cytochrome P450 enzymes in sublethal murine infection
Authors: Kummer Anne , Nishanth Gopala , Koschel Josephin , Klawonn Frank , Schlüter Dirk , Jänsch Lothar 
Published: June 2016

PurposeListeria monocytogenes (Lm) can cross the intestinal barrier in humans and then disseminates into different organs. Invasion of the liver occurs even in sublethal infections, however, knowledge of affected physiological processes is scarce. This study employed a sublethal murine infection model to investigate liver responses systematically by proteomics.Experimental designLiver samples from three stages of the sublethal infection covering the initial invasion, the peak of infection, and the clearance phase (1, 3, 9 days postinoculation) were analyzed in comparison to samples from noninfected mice. Apart from flow cytometry and RT‐PCRs for immune status control, liver responses were analyzed by quantitative peptide sequencing (HPLC‐Orbitrap Fusion) using 4‐plex iTRAQ‐labeling.ResultsAccurate MS characterized about 3600 proteins and statistics revealed 15% of the hepatic proteome as regulated. Immunological data as well as protein regulation dynamics strongly indicate stage‐specific hepatic responses in sublethal infections. Most notably, this study detected a comprehensive deregulation of drug metabolizing enzymes at all stages, including 25 components of the cytochrome P450 system.Conclusions and clinical relevanceSublethal Lm infection deregulates hepatic drug metabolizing pathways. This finding indicates the need to monitor drug administration along Lm infections, especially in all patients needing constant medication.
Insensitive Munitions Fragment Impact Gun Testing Technology Challenges
Authors: Baker Ernest L. , Al‐Shehab Nausheen , Miers Kevin , Pudlak Daniel 
Published: June 2016

AbstractThe STANAG 4496 Ed. 1 Fragment Impact, Munitions Test Procedure, specifies a standard test of 2530±90 m s−1, an alternate test of 1830±60 m s−1 and a standard fragment (projectile) geometry. The standard can be challenging to achieve and has several loosely defined and undefined characteristics that can affect the test item response. In particular fragment velocity variation, projectile tilt upon impact and aimpoint variation are commonly observed challenges. Achieving 2530 m s−1 consistently and cost effectively can be challenging. Additionally, there are some efforts where over testing to higher velocities are viewed as desirable. The aimpoint of impact of the fragment is chosen with the objective of obtaining the most violent reaction: one test is conducted with impact in the center of the largest presented area of energetic material and a second in the most shock sensitive region. No tolerance for aimpoint is specified, although it is shown through high rate continuum modelling that aimpoint variation can be a dominant source for IM response variation. Continuum modelling also shows fragment tilt on impact is to be a possible source for response variation and it is common to observe fragment tilts of 30° or even higher. The standard fragment is specified to be fabricated from mild, carbon steel with a Brinell Hardness (HB) less than 270. In the U.S., the fragment is often fabricated using ASTM1018 steel, which has a significant margin for mechanical properties that lay within the specification. These, as well as other gun testing issues, have significant implications to resulting IM response.
Artificial proteins as allosteric modulators of PDZ3 and SH3 in two‐domain constructs: A computational characterization of novel chimeric proteins
Authors: Kirubakaran Palani , Pfeiferová Lucie , Boušová Kristýna , Bednarova Lucie , Obšilová Veronika , Vondrášek Jiří 
Published: June 2016

ABSTRACTArtificial multidomain proteins with enhanced structural and functional properties can be utilized in a broad spectrum of applications. The design of chimeric fusion proteins utilizing protein domains or one‐domain miniproteins as building blocks is an important advancement for the creation of new biomolecules for biotechnology and medical applications. However, computational studies to describe in detail the dynamics and geometry properties of two‐domain constructs made from structurally and functionally different proteins are lacking. Here, we tested an in silico design strategy using all‐atom explicit solvent molecular dynamics simulations. The well‐characterized PDZ3 and SH3 domains of human zonula occludens (ZO‐1) (3TSZ), along with 5 artificial domains and 2 types of molecular linkers, were selected to construct chimeric two‐domain molecules. The influence of the artificial domains on the structure and dynamics of the PDZ3 and SH3 domains was determined using a range of analyses. We conclude that the artificial domains can function as allosteric modulators of the PDZ3 and SH3 domains. Proteins 2016; 84:1358–1374. © 2016 Wiley Periodicals, Inc.