bluuebunny/crossref_metadata_2025 huggingface dataset:
Modification with Metallic Bismuth as Efficient Strategy for the Promotion of Photocatalysis: The Case of Bismuth Phosphate
Authors: Tian Fan , Zhao Huiping , Li Guangfang , Dai Zan , Liu Yunling , Chen Rong
Published: June 2016

A BiPO4 nanostructure modified with Bi nanoparticles rich in oxygen vacancies in the surface and subsurface was prepared through a one‐pot solvothermal treatment utilizing the weak reductive ability of ethylene glycol (EG). The presence of Bi nanocrystals and oxygen vacancies is beneficial for the separation and consumption of photogenerated electrons and holes where Bi nanocrystals act as active sites for the formation of .OH and oxygen vacancies are active sites for .O2− formation. The enhanced photocatalytic activity is ascribed to the synergistic effect of Bi nanocrystals and surface oxygen vacancies.
Oxytocin receptor dynamics in the brain across development and species
Authors: Vaidyanathan Radhika , Hammock Elizabeth A.D.
Published: June 2016

Oxytocin (OXT) signaling through the OXT receptor plays a significant role in a variety of physiological processes throughout the lifespan. OXT's effects depend on the tissue distribution of the receptor. This tissue specificity is dynamic and changes across development, and also varies with sex, experience, and species. The purpose of this review is to highlight these themes with examples from several life stages and several species. Important knowledge gaps will also be emphasized. Understanding the effective sites of action for OXT via its receptor will help refine hypotheses about the roles of this important neuropeptide in the experience‐dependent development and expression of species‐typical social behavior. © 2016 Wiley Periodicals, Inc. Develop Neurobiol 77: 143–157, 2017
Renewable Surface Carbon‐composite Electrode Bulk Modified with GQD‐RuCl3 Nano‐composite for High Sensitive Detection of l‐tyrosine
Authors: Habibi Esmaeil , Heidari Hassan
Published: June 2016

The ability to analytically detect l‐tyrosine is a clinical necessity not only for the diagnosis of some diseases such as tyrosinemia, but also for the study on various tyrosine‐associated disorders. In here, graphene quantum dot (GQD) was synthesized by carbonization of citric acid and used to prepare GQD‐RuCl3 nano‐composite. GQD and GQD‐RuCl3 were characterized by Fourier transform infrared (FTIR) and Transmission electron microscopy (TEM). Next the nano‐composite was modified with carbon‐composite electrode (CCE) and the electrochemical properties of GQD‐RuCl3|CCE were studied by cyclic voltammetry (CV). This bulk modified electrode showed good electrocatalytic activity for l‐tyrosine oxidation. The values of the detection limit and sensitivity were obtained as 0.23 µM and 90 nA/µM. The results indicated that the synergistic incorporation of RuCl3 with GQD conspicuously promotes the sensitivity of the sensor. Moreover, the sensor showed long‐term stability and good selectivity towards the detection of l‐tyrosine.
Functionalization of MWCNTs with Ferrocene‐poly(p‐phenylene) and Effect on Electrochemical Properties: Application as a Sensing Platform
Authors: Bizid S. , Mlika R. , Haj Saïd A. , Chemli M. , Korri Youssoufi H.
Published: June 2016

MWCNTs have been dispersed with modified ferrocene‐poly(para‐phenylene) by π staking interaction to improve dispersion of MWCNTS in organic solution. Such interaction has been demonstrated through electrochemical and chemical characterization of the composite. A layer based on the formed composite (MWCNTs/Fc‐PPP) has been deposited on a gold surface and the electrochemical properties of the redox reaction have been studied through Cyclic Voltammetry (CV) and Electrochemical Impedance Spectroscopy (EIS). We demonstrate that such association of the Fc‐PPP to MWCNTs allows their functionalization and introduction of redox markers which could be used as a platform for a sensing application. The proof of the concept has been demonstrated through DNA immobilization and detection of specific oligonucleotide probe of hepatitis C. The properties of the DNA biosensor construction were followed by redox properties of immobilized redox markers. The nanocomposite (MWCNTs/Fc‐PPP) modified by DNA probes demonstrates a sensitivity to DNA hybridization with a detection limit of 1.6 pM and a wide linear range of detection from 1 fM to 100 pM taking advantage from the large surface of MWCNTs and their electronic properties.
CD 59 Targeted Ultrasensitive Electrochemical Immunosensor for Fast and Noninvasive Diagnosis of Oral Cancer
Authors: Choudhary Meenakshi , Yadav Prashant , Singh Anu , Kaur Satbir , Ramirez‐Vick Jaime , Chandra Pranjal , Arora Kavita , Singh Surinder P.
Published: June 2016

Oral cancer (OC) is one of the important cancer types in human being and its early and quick diagnosis will help clinicians to develop suitable therapeutic strategies to improve the prognosis of cancer patients. In this direction, we report a label free impedimetric immunosensor to diagnose OC by detecting CD 59, an early stage and important OC biomarker. The immunosensor probe is fabricated by immobilizing CD 59 antibodies (anti‐CD 59) on a self‐assembled molecular layer of L‐cysteine (Cys) on a gold electrode. The fabrication of sensor probe is characterized using cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM). The experimental conditions were optimized in terms of antibody concentration, temperature, pH, and incubation time in order to obtain maximum sensitivity. The CD 59 is qualitatively detected using EIS which shows a wide dynamic range between 1 fg mL−1 and 1000 fg mL−1 with a detection limit of 0.38 (±0.03) fg mL−1. The developed immunosensor is successfully applied for direct detection of CD 59 in clinically relevant human saliva samples. Interferences due to non‐target cancer antigens, stability, and regeneration of the developed immunosensor was performed.
Better living with hyper‐mutation
Authors: Goodman Myron F.
Published: June 2016

The simplest forms of mutations, base substitutions, typically have negative consequences, aside from their existential role in evolution and fitness. Hypermutations, mutations on steroids, occurring at frequencies of 10−2−10−4 per base pair, straddle a domain between fitness and death, depending on the presence or absence of regulatory constraints. Two facets of hypermutation, one in Escherichia coli involving DNA polymerase V (pol V), the other in humans, involving activation‐induced deoxycytidine deaminase (AID) are portrayed. Pol V is induced as part of the DNA‐damage‐induced SOS regulon, and is responsible for generating the lion's share of mutations when catalyzing translesion DNA synthesis (TLS). Four regulatory mechanisms, temporal, internal, conformational, and spatial, activate pol V to copy damaged DNA and then deactivate it. On the flip side of the coin, SOS‐induced pols V, IV, and II mutate undamaged DNA, thus providing genetic diversity heightening long‐term survival and evolutionary fitness. Fitness in humans is principally the domain of a remarkably versatile immune system marked by somatic hypermutations (SHM) in immunoglobulin variable (IgV) regions that ensure antibody (Ab) diversity. AID initiates SHM by deaminating C → U, favoring hot WRC (W = A/T, R = A/G) motifs. Since there are large numbers of trinucleotide motif targets throughout IgV, AID must exercise considerable catalytic restraint to avoid attacking such sites repeatedly, which would otherwise compromise diversity. Processive, random, and inefficient AID‐catalyzed dC deamination simulates salient features of SHM, yet generates B‐cell lymphomas when working at the wrong time in the wrong place. Environ. Mol. Mutagen. 57:421–434, 2016. © 2016 Wiley Periodicals, Inc.
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

Chemical 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

An 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

Machado‐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

The 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.
Dysregulated hepatic bile acids collaboratively promote liver carcinogenesis
Authors: Xie Guoxiang , Wang Xiaoning , Huang Fengjie , Zhao Aihua , Chen Wenlian , Yan Jingyu , Zhang Yunjing , Lei Sha , Ge Kun , Zheng Xiaojiao , Liu Jiajian , Su Mingming , Liu Ping , Jia Wei
Published: June 2016

Dysregulated bile acids (BAs) are closely associated with liver diseases and attributed to altered gut microbiota. Here, we show that the intrahepatic retention of hydrophobic BAs including deoxycholate (DCA), taurocholate (TCA), taurochenodeoxycholate (TCDCA), and taurolithocholate (TLCA) were substantially increased in a streptozotocin and high fat diet (HFD) induced nonalcoholic steatohepatitis‐hepatocellular carcinoma (NASH‐HCC) mouse model. Additionally chronic HFD‐fed mice spontaneously developed liver tumors with significantly increased hepatic BA levels. Enhancing intestinal excretion of hydrophobic BAs in the NASH‐HCC model mice by a 2% cholestyramine feeding significantly prevented HCC development. The gut microbiota alterations were closely correlated with altered BA levels in liver and feces. HFD‐induced inflammation inhibited key BA transporters, resulting in sustained increases in intrahepatic BA concentrations. Our study also showed a significantly increased cell proliferation in BA treated normal human hepatic cell lines and a down‐regulated expression of tumor suppressor gene CEBPα in TCDCA treated HepG2 cell line, suggesting that several hydrophobic BAs may collaboratively promote liver carcinogenesis.
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

A 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

In 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

The 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.
Efficient [bmIm]OH Catalyzed Diastereoselective Synthesis of Imidazopyridine via Microwave Activation in Aqueous Media
Authors: Waseem Malik A. , Rahila  , Ibad Afshan , Ibad Farah , Neha Shamshun , Nazaan Juhi , Saquib Mohammad , Siddiqui I. R.
Published: June 2016

A novel, efficient, and diastereoselective synthesis of imidazopyridine with high atom economy under microwave activation and [bmIm]OH (1‐butyl‐3‐methylimidazolium hydroxide) promotion from readily available 2‐aminopyridine and phenyl acetylene ester has been developed in aqueous condition. The strategy involves acetylene activation by [bmIm]OH that allows facile heterocyclization via double hydroamination of 2‐aminopyridine with acetylene derivatives. The reaction rate increases enormously with microwave irradiation. The transformation proceeded smoothly and quantitatively. Furthermore [bmIm]OH was recycled and reused five times without any appreciable decrease in its reactivity and product yield.
Glutathione protects Candida albicans against horseradish volatile oil
Authors: Bertóti Regina , Vasas Gábor , Gonda Sándor , Nguyen Nhat Minh , Szőke Éva , Jakab Ágnes , Pócsi István , Emri Tamás
Published: June 2016

Horseradish essential oil (HREO; a natural mixture of different isothiocyanates) had strong fungicide effect against Candida albicans both in volatile and liquid phase. In liquid phase this antifungal effect was more significant than those of its main components allyl, and 2‐phenylethyl isothiocyanate. HREO, at sublethal concentration, induced oxidative stress which was characterized with elevated superoxide content and up‐regulated specific glutathione reductase, glutathione peroxidase, catalase and superoxide dismutase activities. Induction of specific glutathione S‐transferase activities as marker of glutathione (GSH) dependent detoxification was also observed. At higher concentration, HREO depleted the GSH pool, increased heavily the superoxide production and killed the cells rapidly. HREO and the GSH pool depleting agent, 1‐chlore‐2,4‐dinitrobenzene showed strong synergism when they were applied together to kill C. albicans cells. Based on all these, we assume that GSH metabolism protects fungi against isothiocyanates.
Transposon‐mediated random gene disruption with moderate halophilic bacteria and its application for halophilic bacterial siderophore analysis
Authors: Matsui Toru , Nishino Tomohiko
Published: June 2016

Analytical conditions using chromo azurol S was validated for quantification of siderophore in aqueous samples, followed by the characterization of siderophore derived from newly isolated moderately halophilic bacteria. Conditions with good linearity between the absorbance and the siderophore concentration were obtained at a siderophore concentration less than 20 µM, in the wavelength range between 630 and 660 nm with developing time for at least 2 h. Of the halophilic bacteria isolated from Tunisian soil, Halomonas sp., namely strain 21a was selected as siderophore producing halophiles. The strain produced siderophore significantly in the absence of iron in minimal medium. Siderophore‐deficient mutant, namely IIa10, of the strain 21a was obtained from gene disruptant library constructed using transposon complex by electroporation. Genomic sequence analysis of the mutant IIa10 revealed that the transposon‐inserted gene was TonB‐dependent receptor.
Problem Clarity as a Moderator between Trait Affect and Self‐Perceived Creativity
Authors: Tang Chaoying , Li Qin , Kaufman James C.
Published: June 2016

Empirical 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.
Ultra high performance liquid chromatography coupled with triple quadrupole mass spectrometry and chemometric analysis of licorice based on the simultaneous determination of saponins and flavonoids
Authors: Jiang Zhenzuo , Wang Yuefei , Zheng Yunfeng , Yang Jing , Zhang Lei
Published: June 2016

Licorice is among the most popular herbal medicines and frequently used in traditional medicine, food products, and cosmetics. In China, only Glycyrrhiza uralensis Fisch., Glycyrrhiza inflata Bat. and Glycyrrhiza glabra L. are officially used and are usually processed with honey prior to use. To maintain the quality of commercially available herbal products, a simple, rapid, and reliable ultra high performance liquid chromatography with triple quadrupole mass spectrometry was developed to investigate the major active constituents of commercially available licorice products. Nineteen components were accurately determined, including eight triterpenoid saponins, one triterpene, and ten flavonoids. Subsequently, multivariate statistical analysis methods were employed to further explore and interpret the experimental data. The results indicated that liquiritin apioside may be considered as a candidate index for the quality control of licorice as well as 18β‐glycyrrhizic acid and liquiritin. In addition, both 18β‐glycyrrhizic acid and licorice‐saponin G2 can be used for discrimination between crude and honey‐processed licorice. Furthermore, using 18β‐glycyrrhizic acid and liquiritin as markers, this work revealed that the quality of licorice products may have declined in recent years. This highlights the need for additional effort focused on good agricultural practice during the processing of licorice. In summary, this study provides a valuable reference for the quality assessment of licorice.
In vivo metabolism study of (R)‐bambuterol in humans using ultra high performance liquid chromatography with tandem mass spectrometry
Authors: Zhou Ting , Zeng Dan , Zhao Ting , Yang Yang , Liu Shan , Wu Jie , Xu Ling , Tan Wen
Published: June 2016

(R)‐Bambuterol, a selective β2‐adrenoceptor agonist, has been approved as a new drug for the treatment of asthma and chronic obstructive pulmonary disease by the China Food and Drug Administration and is currently under phase I clinical trials. In this study, a combined method based on ultra high performance liquid chromatography with triple quadrupole mass spectrometry and ultra high performance liquid chromatography with quadrupole time‐of‐flight mass spectrometry was employed for the identification of the major metabolites of (R)‐bambuterol in human plasma and urine after an oral dose of 10 mg. The metabolites were separated by gradient elution program and different sample preparation methods were compared. Totally, 12 metabolites of (R)‐bambuterol were identified, including four metabolites in plasma and all 12 metabolites in urine. Among these, four metabolites are reported for the first time. The possible metabolic pathways of (R)‐bambuterol were subsequently proposed. The results indicated that (R)‐bambuterol was metabolized via hydrolysis, demethylation, oxygenation, glucuronidation, and sulfation pathways in vivo. This study revealed that this combined method was accurate and sensitive to identify the possible metabolites and to better understand the metabolism of (R)‐bambuterol in vivo.
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

Bacteriophages 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

Scope

This 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 results

Two 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.

Conclusions

The 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

Transthyretin 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

Objective

To 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.

Methods

A 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.

Results

The 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.

Conclusions

The 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

Purpose

Listeria 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 design

Liver 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.

Results

Accurate 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 relevance

Sublethal 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

The 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

Artificial 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.
Equilibrium diamond‐like carbon nanostructures with cubic anisotropy: Elastic properties
Authors: Lisovenko D. S. , Baimova J. A. , Rysaeva L. Kh. , Gorodtsov V. A. , Rudskoy A. I. , Dmitriev S. V.
Published: June 2016

Diamond‐like carbon nanostructures with cubic anisotropy made by joining fullerene‐like molecules of different types via valence bonds are studied by means of molecular dynamics simulations. The considered structures are interesting because they include both‐ and‐hybridized carbon atoms, which lead to their distinct properties compared to the structures with one type of hybridization. Seven diamond‐like carbon phases having different shapes of structural units and/or different ways of their connection are studied in the present work. For the relaxed equilibrium structures, the engineering elastic constants (Poisson's ratio, Young's modulus, and shear modulus) are calculated as the functions of the crystal orientation angles. Extreme values of the elastic constants are reported. It is shown that two of the considered diamond‐like structures have negative Poisson's ratio and can be regarded as the partial auxetics. According to the results of the present study, elastic properties of the bulk diamond‐like carbon structures can vary considerably depending on their structure.

Diamond‐like carbon nanostructures
Tailoring Poisson's ratio by introducing auxetic layers
Authors: Bilski Mikołaj , Wojciechowski Krzysztof W.
Published: June 2016

Monte Carlo simulations in the isobaric–isothermal ensemble with variable shape of the periodic box are used to study elastic properties of two‐dimensional (2D) model systems of hard discs with parallel layers of hard cyclic hexamers. Both the particles in their pure phases form elastically isotropic crystals. However, the crystal of discs shows positive and that of hexamers – negative Poisson's ratio (PR). The studied systems with layers are of low symmetry. Hence, a general analytic formula for the orientational dependence of PR in 2D systems is applied to such systems. It is shown that, by changing parameters of the particles and their relative concentration, as well as orientation of the layers, one can obtain systems which are non‐auxetic (their PR is positive), auxetic (their PR is negative), or partially auxetic ones (their PR is negative for some directions and positive for other ones). If the disks and hexamers are interpreted as small molecules, the obtained results indicate that by introducing auxetic nano‐layers one can strongly modify PR of crystals or even thin layers.

The periodic box withparticles can be thought of as a model of a thin layer or as a model crystalline structure with parallel horizontal layers built of four hard cyclic hexamer rows in the hard disc system.
A Parameterized Geometric Magnetic Field Calibration Method for Vehicles with Moving Masses with Applications to Underwater Gliders
Authors: Claus Brian , Bachmayer Ralf
Published: June 2016

The accuracy of magnetic measurements performed by autonomous vehicles is often limited by the presence of moving ferrous masses. This work presents a parameterized ellipsoid field calibration method for magnetic measurements in the sensor frame. In this manner, the ellipsoidal calibration coefficients are dependent on the locations of the moving masses. The parameterized calibration method is evaluated through field trials with an autonomous underwater glider equipped with a low power precision fluxgate sensor. A first set of field trials were performed in the East Arm of Bonne Bay, Newfoundland, in December 2013. During these trials, a series of calibration profiles with the mass shifting and ballast mechanisms at different locations were performed before and after the survey portion of the trials. Further trials were performed in the Labrador Sea in July 2014 with two reduced sets of calibration runs. The nominal ellipsoidal coefficients were extracted using the full set of measurements from a set of calibration profiles and used as the initial conditions for the polynomials, which define each parameterized coefficient. These polynomials as well as the sensor misalignment matrix were then optimized using a gradient descent solver, which minimizes both the total magnetic field difference and the vertical magnetic field variance between the modeled and measured values. Including the vertical field in this manner allows for convergence in spite of severe limitations on the platform's motion and for computation of the vehicle's magnetic heading.
Living life forward: Technology, time, and society in a Sri Lankan potter community
Authors: Winslow Deborah
Published: June 2016

Classically, anthropologists and archaeologists characterized socioeconomic systems by their technologies and the relations of production they engaged. We used labels like “forager” and “horticulturalist,” believing them to be accompanied by suites of sociocultural features that comprised systems in equilibrium until disturbed exogenously. But when we closely examine actual technologies in use, we find that change and variability, not stasis and homogeneity, are the norm. People adopt, adapt, innovate, and improvise their technological, social, and cultural practices in a process that is both ongoing and recursive. In this article, I use this perspective and a longitudinal case study to rethink technology's social embeddedness, drawing on the concept of technology assemblage as developed by complexity theorist W. Brian Arthur. The case study is of a rural Sri Lankan potter community where I have conducted research since 1974. The potters' story supports Arthur's contention that technological innovation is not a one‐off event but rather an ongoing process of accumulative and recursive problem solving. With detailed, longitudinal, and ethnographic data, we can trace innovation cascades over time and see how new forms of self and community emerge, all of which limits and enables, but does not predetermine, what emerges next.
Asymmetrical indications: Negotiating creativity through Geographical Indications in north India
Authors: DeNicola Alicia Ory
Published: June 2016

Much of the anthropology of copyright and other forms of intellectual property (IP) rights focuses on indigenous rights and protection from Western corporate interests. Geographical Indications (GI) are a relatively new form of IP that, arguably, seek to address the issue of indigenous rights and traditional knowledges. Little, however, has been written about the complex ways that international law mediates local understandings of creativity and labor through GIs. I argue that in Bagru, GI status has the potential to reverse a trend whereby the “creativity” of textile production has increasingly been claimed by urban designers. Returning this creative aspect to the traditional printers, however, means that designers have little motivation of their own to mediate between village printers and global markets. Without addressing this link, GI status may have unintended economic consequences for printers.
Design, Synthesis, and Functionalization of Imidazoheterocycles
Authors: Bagdi Avik Kumar , Hajra Alakananda
Published: June 2016

Over the years, various strategies have been reported for the synthesis of imidazo[1,2‐a]pyridines due to their importance in different fields. In this account, we represent the methods developed by our group for the synthesis and functionalization of imidazo[1,2‐a]pyridines. Different synthetic strategies have been developed using easily accessible reactants for this purpose. We envisage that these newly developed protocols will be very useful for the synthesis of functionalized molecules bearing imidazo[1,2‐a]pyridine scaffolds. These strategies will also be attractive for the construction of other pharmaceutically important heterocycles.

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