bluuebunny/crossref_metadata_2025 huggingface dataset:
Agadá: dinâmica da civilização africano-brasileira
Authors: Luz Marco Aurélio
Published: September 2015

Movido por profundas questões existenciais, Marco Aurélio Luz aborda o processo civilizatório que sofreram os africanos no Brasil, mostra a importância da presença histórica, social e cultural do negro na constituição da identidade nacional brasileira. Para tanto o livro é dividido em quatro partes, nas quais: demonstra os valores e a linguagem da civilização e cultura da África pré-colonial; caracteriza os valores do colonialismo, do mercantilismo e do escravismo e seus desdobramentos na atualidade; aborda o real significado histórico da insurgência negra na África e no Brasil, caracterizado como uma luta pela afirmação existencial própria, e procura demonstrar a dinâmica da reposição dos valores e linguagem do processo civilizatório negro africano na formação social brasileira.
Layer 2/3 pyramidal cells in the medial prefrontal cortex moderate stress induced depressive behaviors
Authors: Shrestha Prerana , Mousa Awni , Heintz Nathaniel
Published: September 2015

Major depressive disorder (MDD) is a prevalent illness that can be precipitated by acute or chronic stress. Studies of patients with Wolfram syndrome and carriers have identified Wfs1 mutations as causative for MDD. The medial prefrontal cortex (mPFC) is known to be involved in depression and behavioral resilience, although the cell types and circuits in the mPFC that moderate depressive behaviors in response to stress have not been determined. Here, we report that deletion of Wfs1 from layer 2/3 pyramidal cells impairs the ability of the mPFC to suppress stress-induced depressive behaviors, and results in hyperactivation of the hypothalamic–pituitary–adrenal axis and altered accumulation of important growth and neurotrophic factors. Our data identify superficial layer 2/3 pyramidal cells as critical for moderation of stress in the context of depressive behaviors and suggest that dysfunction in these cells may contribute to the clinical relationship between stress and depression.
Impacts of CME‐induced geomagnetic storms on the midlatitude mesosphere and lower thermosphere observed by a sodium lidar and TIMED/GUVI
Authors: Yuan T. , Zhang Y. , Cai X. , She C.‐Y. , Paxton L. J.
Published: September 2015

In this paper, we report our findings on the correlation between the neutral temperature (around the mesopause) and thermospheric column density O/N2 ratio, along with their response to geomagnetic storms above midlatitude of North America. A temperature/wind Doppler Na lidar, operating at Fort Collins, CO (41°N, 105°W), and later at Logan, UT (42°N and 112°W), observed significant temperature increases (temperature anomaly) above 95 km (as much as 55 K at 105 km altitude) during four coronal mass ejection‐induced geomagnetic storms (April 2002, November 2004, May 2005, and October 2012). Coincident Thermosphere Ionosphere Mesosphere Energetics and Dynamics/Global Ultraviolet Spectrographic Imager observations indicate significant depletion in the thermospheric O/N2 ratio at the lidar locations. These observations suggest that the local mesopause warming seen by the lidar is due to transport of the high‐latitude joule and particle heated neutrals at the E and F layers to the midlatitude region.
Numerical modeling of cold magmatic CO2 flux measurements for the exploration of hidden geothermal systems
Authors: Peiffer Loïc , Wanner Christoph , Pan Lehua
Published: September 2015

The most accepted conceptual model to explain surface degassing of cold magmatic CO2 in volcanic‐geothermal systems involves the presence of a gas reservoir. In this study, numerical simulations using the TOUGH2‐ECO2N V2.0 package are performed to get quantitative insights into how cold CO2 soil flux measurements are related to reservoir and fluid properties. Although the modeling is based on flux data measured at a specific geothermal site, the Acoculco caldera (Mexico), some general insights have been gained. Both the CO2 fluxes at the surface and the depth at which CO2 exsolves are highly sensitive to the dissolved CO2 content of the deep fluid. If CO2 mainly exsolves above the reservoir within a fracture zone, the surface CO2 fluxes are not sensitive to the reservoir size but depend on the CO2 dissolved content and the rock permeability. For gas exsolution below the top of the reservoir, surface CO2 fluxes also depend on the gas saturation of the deep fluid as well as the reservoir size. The absence of thermal anomalies at the surface is mainly a consequence of the low enthalpy of CO2. The heat carried by CO2 is efficiently cooled down by heat conduction and to a certain extent by isoenthalpic volume expansion depending on the temperature gradient. Thermal anomalies occur at higher CO2 fluxes (>37,000 g m−2 d−1) when the heat flux of the rising CO2 is not balanced anymore. Finally, specific results are obtained for the Acoculco area (reservoir depth, CO2 dissolved content, and gas saturation state).
Herbicide Residues in Biota, Analysis of
Authors: Headley John V. , Dickson Leslie C. , Cessna Allan J. , Peru Kerry M. , McMartin Dena W. , Adenugba Adeola A.
Published: September 2015

Herbicides are used in agriculture to increase productivity by controlling and inhibiting production of unwanted plants interfering with proper growth and nourishment of valuable crops. Anthropogenic activities have promoted widespread occurrence of herbicide residues in various biota resulting in concerns for animal (including human) and environmental health. This article examines current extraction, cleanup, and instrumental methods available for analyzing herbicide residues in biota, integrating multiresidue methods (MRMs) and miniaturization of apparatus to reduce solvent volumes required for sample extraction and analysis. Methods using miniaturized procedures are additionally beneficial because they tend to be generally less expensive, faster, and less labor intensive than conventional methods and, furthermore, they reduce analyst exposure to hazardous materials.

Mass spectrometry (MS), interfaced with high‐resolution gas chromatography (GC) and high‐performance liquid chromatography (HPLC), has become the detection and quantification method of choice for herbicide analysis with many recent improvements due to advances in ionization techniques and analyzer power. These advancements have resulted in higher levels of accuracy, sensitivity, and selectivity, as well as higher sample throughput. Immunoassay (IA) techniques have also emerged as important tools in the detection of herbicides in biota.
MALDIMass Spectrometry Imaging of Biological Structures
Authors: Zaima Nobuhiro , Goto‐Inoue Naoko , Hayasaka Takahiro
Published: September 2015

Matrix‐assisted laser desorption/ionization (MALDI) is a ‘soft’ ionization method which enables the detection of several molecules including proteins, peptides, amino acids, sugars, lipids, and metabolites, in biological samples. The versatility of MALDI makes it essential analytical method to detect the molecules of interest in the complex biological structures. To take this advantage of MALDI, matrix‐assisted laser desorption/ionization mass spectrometry imaging (MALDI‐MSI) has been developed as a molecular imaging method to visualize the spatial distribution of molecules in biological sample section. It has been reported that almost all kinds of molecules, such as biomolecules and administrated drugs or food factors, in biological samples can be visualized by MALDI‐MSI. Because many of these molecules cannot be visualized with the exception of MALDI‐MSI, MALDI‐MSI opens a new frontier in several fields such as medical science, pharmaceutical science, plant science, and food science. To obtain biologically meaningful information of the distribution of molecules of interest, researcher should understand the basic experimental steps and potential applications of MALDI‐MSI. In this article, principle, basic experimental procedure, and applications of MALDI‐MSI are described.
Application of Second Harmonic Imaging Microscopy in Biological Studies
Authors: Tjin Gavin , Cox Guy
Published: September 2015

The fact that some crystalline substances can generate the second harmonic (SH) – light of twice the frequency – under intense irradiation was discovered soon after lasers were available. Later, it was realized that some biological polymers were also able to generate the SH, offering a label‐free way of imaging cell components in the microscope. To obtain sufficiently intense light without damaging the sample, pulsed lasers are needed, typically delivering 100 fs pulses at ∼10 ns intervals. The signal is only generated at the focus of the beam so the image is inherently focal‐plane selective. Molecules that generate the SH must have no center of symmetry, and the signal is greatly enhanced if they are crystalline. Collagen has been the most studied biopolymer, and its structure and arrangement is a wide range of normal and diseased tissues has been investigated. The proteins myosin and tubulin have also been much studied. The polysaccharides starch and cellulose also give an SH signal, but to date they have received less attention. As second harmonic generation (SHG) is an electric field effect, changes in the field around a molecule will affect the signal, and this has been used to devise fast‐responding reporter dyes to measure membrane potential at high resolution.
Directional Solidification with Constant Ice Front Velocity in the Ice‐Templating Process
Authors: Stolze Christian , Janoschka Tobias , Schubert Ulrich S. , Müller Frank A. , Flauder Stefan
Published: September 2015

An exponential cooling function for the directional solidification of liquids with constant ice front velocities is investigated with respect to an enhanced control over the ice‐templating process. It is mathematically derived and set into relation to other cooling functions found in literature. A theoretical limit of applicability is discussed and a mathematical expression for the maximum sample size realizable with this new approach is derived. Experimental results from the time‐resolved direct measurement of the ice front evolution during the directional solidification of pure water and a ceramic β‐tricalcium phosphate (β‐TCP) suspension in a cooling room environment are presented. These results are compared to the results of numerical simulations. Ice front velocities from 10 to 50 µm s–1 are realized.
Synthesis of Benzimidazole‐Substituted Arylboronic Acids via Aerobic Oxidation of 1,2‐Arylenediamines and Formyl‐Substituted Aryl MIDA Boronates using Potassium Iodide as a Catalyst
Authors: Lee Ye‐Sol , Cheon Cheol‐Hong
Published: September 2015

A highly efficient protocol for the synthesis of benzimidazole‐substituted arylboronic acids was developed via aerobic oxidative cyclization of 1,2‐aryldiamines and formyl‐substituted aryl MIDA (N‐methyliminodiacetic acid) boronates using potassium iodide as a nucleophilic catalyst. Furthermore, a one‐pot protocol for the synthesis of benzimidazole‐substituted arylboronic acids from 1,2‐phenylenediamines and formyl‐substituted arylboronic acids was developed without the isolation of any intermediates. The resulting boronic acids were further subjected to Suzuki–Miyaura coupling reactions without isolation, leading to diaryl‐substituted benzimidazoles with only one separation step.

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Palladium‐Catalysed CH Bond Electrophilic Fluorination of Highly Substituted Arylpyrazoles: Experimental and DFT Mechanistic Insights
Authors: Testa Christelle , Roger Julien , Scheib Stephanie , Fleurat‐Lessard Paul , Hierso Jean‐Cyrille
Published: September 2015

A general protocol for palladium‐catalysed CH mono‐ and di‐fluorination of highly substituted arylpyrazoles is reported. Coupling pathways and substrate limitations are discussed in the light of complementary mechanistic experimental and density functional theory (DFT) studies. The mono‐ and di‐ortho‐fluorination of arylpyrazoles having substituted pyrazole groups and ortho‐, meta‐, or para‐substituted arene moieties is achieved. Various pyrazole groups can efficiently promote the direct CH activation/fluorination of substrates bearing valuable reactive ester, cyano, halide and nitro functions. The presence of methoxy, methyl and trifluoromethyl is tolerated on the pyrazole directing groups. However, steric substituent effects have a marked influence which is evidenced by calculations. DFT modelling suggested also a previously unseen outer‐sphere oxidative addition of N‐fluorobenzenesulfonimide (NFSI) to Pd(II) as an alternative mechanism to the commonly assumed Pd(II)/Pd(IV) process. This unprecedented proposal, which is supported by the mass spectrometry identification of a key Pd(II) monomer under the stoichiometric conditions deserves more attention. The influence of elaborate highly substituted directing groups on the course of Pd‐catalysed fluorination has generally received limited attention although this question has a crucial synthetic utility; herein, appropriate conditions for isolating pure products are reported.

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Ring‐Opening of N‐tert‐Butanesulfinylethynylaziridines with Lithium Tris(dimethylphenylsilyl)zincate: Stereoselective Access to 4‐Amino‐1‐allenylsilanes
Authors: Bochatay Valentin N. , Sanogo Youssouf , Chemla Fabrice , Ferreira Franck , Jackowski Olivier , Pérez‐Luna Alejandro
Published: September 2015

The ring‐opening of N‐tert‐butanesulfinylethynylaziridines with lithium tris(dimethylphenylsilyl)zincate is reported. The reaction is demonstrated to be both stereoselective and stereospecific and to proceed through an anti‐SN2′ process. Further deprotection of the nitrogen atom under mild conditions allows access to 4‐amino‐1‐(dimethylphenylsilyl)allenes with high yields and levels of stereoselectivity.

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A One‐Pot Approach to Phenanthridine Derivatives through Two‐Step Rhodium(I) and Gold(I) Catalysis
Authors: Zhu Zizhong , Chen Kai , Xu Qin , Shi Min
Published: September 2015

An effective one‐pot procedure for the synthesis of phenanthridine derivatives containing N‐ or O‐heterocycles has been developed through a two‐step rhodium‐catalyzed [2+2+2] cycloaddition and gold‐catalyzed heterocyclization under mild conditions. The substrate scope has been investigated and a plausible reaction mechanism has been proposed on the basis of control experiments and previous literature reports.

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Copper‐Catalyzed Cascade Cyclization for the Synthesis of Trifluoromethyl‐Substituted Spiro‐2H‐azirines from 1,6‐Enynes
Authors: He Yu‐Tao , Wang Qiang , Zhao Jiahui , Wang Xiao‐Zhen , Qiu Yi‐Feng , Yang Yu‐Chen , Hu Jing‐Yuan , Liu Xue‐Yuan , Liang Yong‐Min
Published: September 2015

A method for the synthesis of trifluoromethyl CF3‐substituted spirocyclic compounds containing with a unique quaternary carbon center from readily available starting materials has been developed. The reaction provides a facile access to 2H‐azirines via cascade cyclization. These compounds constitute a new class of functionalized synthetic intermediates, which can be used for the synthesis of various nitrogen‐containing heterocycles and biologically active CF3‐containing compounds.

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Locating Gases in Porous Materials: Cryogenic Loading of Fuel‐Related Gases Into a Sc‐based Metal–Organic Framework under Extreme Pressures
Authors: Sotelo Jorge , Woodall Christopher H. , Allan Dave R. , Gregoryanz Eugene , Howie Ross T. , Kamenev Konstantin V. , Probert Michael R. , Wright Paul A. , Moggach Stephen A.
Published: September 2015

An alternative approach to loading metal organic frameworks with gas molecules at high (kbar) pressures is reported. The technique, which uses liquefied gases as pressure transmitting media within a diamond anvil cell along with a single‐crystal of a porous metal–organic framework, is demonstrated to have considerable advantages over other gas‐loading methods when investigating host–guest interactions. Specifically, loading the metal–organic framework Sc2BDC3with liquefied CO2at 2 kbar reveals the presence of three adsorption sites, one previously unreported, and resolves previous inconsistencies between structural data and adsorption isotherms. A further study with supercritical CH4at 3–25 kbar demonstrates hyperfilling of the Sc2BDC3and two high‐pressure displacive and reversible phase transitions are induced as the filled MOF adapts to reduce the volume of the system.
Exclusive π Encapsulation of Light Alkali Metal Cations by a Neutral Molecule
Authors: Bertermann Rüdiger , Braunschweig Holger , Constantinidis Philipp , Dellermann Theresa , Dewhurst Rian D. , Ewing William C. , Fischer Ingo , Kramer Thomas , Mies Jan , Phukan Ashwini K. , Vargas Alfredo
Published: September 2015

Cation–π interactions are one of the most important classes of noncovalent bonding, and are seen throughout biology, chemistry, and materials science. However, in almost every documented case, these interactions play only a supporting role to much stronger covalent or dative bonds, thus making examples of exclusive cation–π bonding exceedingly rare. In this study, a neutral diboryne molecule is found to encapsulate the light alkali metal cations Li+ and Na+ in the absence of a net charge, covalent bonds, or lone‐pair donor groups. The resulting encapsulation complexes are, to our knowledge, the first structurally authenticated species in which a neutral molecule binds the light alkali metals exclusively through cation–π interactions.
Organic–inorganic composite materials as photoinitiator for controlling/living polymerization
Authors: Liang En Xiang , Lu Mang , Hou Zhao Hui , Huang Yan , He Bin Hong , Wang Guo Xiang , Liu Li Chao , Wu Hu , Zhong Ming
Published: September 2015

Titanium dioxide (TiO2)/graphitic carbon nitride (g‐C3N4) composites were first used as photoinitiator for photochemically mediated controlled/living polymerization of methyl methacrylate. The polymerization was successfully carried out in polyethylene glycol at room temperature with FeCl3·6H2O/N,N,N ′,N ′,N ″‐pentamethyldiethylenetriamine as complex catalyst and ethyl 2‐bromoisobutyrate as initiator in this case. A pseudo‐first‐order dependence of the monomer concentration on the polymerization time was observed. TiO2/g‐C3N4 was verified to be an efficient photoinitiator. The polymerization was controlled to produce poly(methyl methacrylate) with narrow molecular weight distribution and controlled number average molecular weight (Mn,GPC). The Mn,GPC matched well with the theoretical values when using both UV and sunlight irradiation as light source. The effects of reaction conditions on the polymerization were investigated. The polymerization could be started and stopped through periodically switching on/off the light. The living nature was further supported by the chain extension experiments. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 42891.
The Peptidome of Behçet's Disease–Associated HLA–B*51:01 Includes Two Subpeptidomes Differentially Shaped by Endoplasmic Reticulum Aminopeptidase 1
Authors: Guasp Pablo , Alvarez‐Navarro Carlos , Gomez‐Molina Patricia , Martín‐Esteban Adrian , Marcilla Miguel , Barnea Eilon , Admon Arie , López de Castro José A.
Published: September 2015

Objective

To characterize the peptidome of the Behçet's disease–associated HLA–B*51:01 allotype as well as the differential features of major peptide subsets and their distinct endoplasmic reticulum aminopeptidase 1 (ERAP‐1)–mediated processing.

Methods

The endogenous B*51:01‐bound peptidome was characterized from 721.221 transfectant cells, after affinity chromatography and acid extraction, by tandem mass spectrometry. Recombinant ERAP‐1 variants were used to digest synthetic B*51:01 ligands. HLA and transporter associated with antigen processing (TAP) binding affinities of peptide ligands were calculated with well‐established algorithms. ERAP‐1 and ERAP‐2 from 721.221 cells were characterized by genomic sequencing and Western blotting.

Results

The B*51:01 peptidome consisted of 29.5% octamers, 61.7% nonamers, 4.8% decamers, and 4.0% longer peptides. The major peptide motif consisted of Pro and Ala at position 2, aliphatic/aromatic position 3 residues, and Val and Ile at the C‐terminal position. The ligands with Pro or Ala at position 2 constituted 2 distinct subpeptidomes. Peptides with Pro at position 2 showed higher affinity for B*51:01 and lower affinity for TAP than those with Ala at position 2. Most important, both peptide subsets differed drastically in the susceptibility of their position 1 residues to ERAP‐1, revealing a distinct influence of this enzyme on both subpeptidomes, which may alter their balance, affecting the global affinity of B*51:01–peptide complexes.

Conclusion

ERAP‐1 has a significant influence on the B*51:01 peptidome and its affinity. This influence is based on very distinct effects on the 2 subpeptidomes, whereby only peptides in the subpeptidome with Ala at position 2 are extensively destroyed, except when their position 1 residues are ERAP‐1 resistant. This pattern provides a mechanism for the epistatic association of ERAP‐1 and B*51:01 in Behçet's disease.
Constraining the orbits of small solar system bodies using spectroscopic Doppler shift measurements – a preliminary study
Authors: Zucker S. , Tzur I.
Published: September 2015

In this short paper we examine whether the measurement of Doppler shifts in the solar light reflected off an asteroid surface may improve the accuracy of the determined orbit. Our results suggest it will be worthwhile to use high‐resolution spectrographs, of the exoplanet‐hunting type, to measure those Doppler shifts. Spectroscopic Doppler shifts might improve the accuracy of Earth‐impact predictions, help to recover “lost” near‐Earth objects, and may also significantly enhance the knowledge about dynamics of the Kuiper belt. Future high‐resolution spectrographs on the VLT and the E‐ELT may thus have an important role in studies of Solar‐System dynamics and kinematics. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
The isolated dSph galaxy KKs3 in the local Hubble flow
Authors: Karachentsev I. D. , Kniazev A. Yu. , Sharina M. E.
Published: September 2015

We present SALT spectroscopy of a globular cluster in the center of the nearby isolated dSph galaxy KKs3 situated at a distance of 2.12 Mpc. Its heliocentric radial velocity is 316 ± 7 km s–1 that corresponds to VLG = 112 km s–1 in the Local Group (LG) reference frame. We use its distance and velocity along with the data on other 35 field galaxies in the proximity of the LG to trace the local Hubble flow. The following basic properties of the local field galaxies are briefly discusse: morphology, absolute magnitudes, average surface brightnesses, specific star formation rates, and hydrogen mass‐to‐stellar mass ratios. Surprisingly, the sample of the neighboring isolated galaxies displays no signs of compression under the influence of the expanding Local Void. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
The influence of mixed salts on the capacity of HIC adsorbers: A predictive correlation to the surface tension and the aggregation temperature
Authors: Baumgartner Kai , Amrhein Sven , Oelmeier Stefan A. , Hubbuch Jürgen
Published: September 2015

Hydrophobic interaction chromatography (HIC) is one of the most frequently used purification methods in downstream processing of biopharmaceuticals. During HIC, salts are the governing additives contributing to binding strength, binding capacity, and protein solubility in the liquid phase. A relatively recent approach to increase the dynamic binding capacity (DBC) of HIC adsorbers is the use of salt mixtures. By mixing chaotropic with kosmotropic salts, the DBC can strongly be influenced. For salt mixtures with a higher proportion of chaotropic than kosmotropic salt, higher DBCs were achieved compared with single salt approaches. By measuring the surface tensions of the protein salt solutions, the cavity theory—proposed by Melander and Horváth—that higher surface tensions lead to higher DBCs, was found to be invalid for salt mixtures. Aggregation temperatures of lysozyme in the salt mixtures, as a degree of hydrophobic forces, were correlated to the DBCs. Measuring the aggregation temperatures has proven to be a fast analytical methodology to estimate the hydrophobic interactions and thus can be used as a measure for an increase or decrease in the DBCs. © 2016 American Institute of Chemical Engineers Biotechnol. Prog., 32:346–354, 2016
Kuwanon‐L as a New Allosteric HIV‐1 Integrase Inhibitor: Molecular Modeling and Biological Evaluation
Authors: Esposito Francesca , Tintori Cristina , Martini Riccardo , Christ Frauke , Debyser Zeger , Ferrarese Roberto , Cabiddu Gianluigi , Corona Angela , Ceresola Elisa Rita , Calcaterra Andrea , Iovine Valentina , Botta Bruno , Clementi Massimo , Canducci Filippo , Botta Maurizio , Tramontano Enzo
Published: September 2015

HIV‐1 integrase (IN) active site inhibitors are the latest class of drugs approved for HIV treatment. The selection of IN strand‐transfer drug‐resistant HIV strains in patients supports the development of new agents that are active as allosteric IN inhibitors. Here, a docking‐based virtual screening has been applied to a small library of natural ligands to identify new allosteric IN inhibitors that target the sucrose binding pocket. From theoretical studies, kuwanon‐L emerged as the most promising binder and was thus selected for biological studies. Biochemical studies showed that kuwanon‐L is able to inhibit the HIV‐1 IN catalytic activity in the absence and in the presence of LEDGF/p75 protein, the IN dimerization, and the IN/LEDGF binding. Kuwanon‐L also inhibited HIV‐1 replication in cell cultures. Overall, docking and biochemical results suggest that kuwanon‐L binds to an allosteric binding pocket and can be considered an attractive lead for the development of new allosteric IN antiviral agents.
Synthesis of Platinum Catalysts over Thick Slurries of Oxide Supports by Strong Electrostatic Adsorption
Authors: Samad Jadid E. , Hoenig Sean , Regalbuto John R.
Published: September 2015

Platinum uptake by strong electrostatic adsorption on alumina, silica, and titania supports was studied at different slurry thicknesses (or surface loadings). For the anionic platinum chloride precursor, a high counterion concentration at high surface loadings hindered adsorption on the high point of zero charge alumina support, as predicted by the revised physical adsorption model. Owing to this adsorption retardation in thicker slurries, a highly dispersed Pt/Al2O3 catalyst could only be prepared with a lower weight fraction of Pt than that in thin slurries. However, for cationic platinum tetraamine complexes, the effect of counterions in retarding the adsorption at high surface loadings was unexpectedly diminished. As a result, it was possible to synthesize highly dispersed Pt/SiO2 even at a maximum slurry thickness (incipient wetness) without having to sacrifice the Pt loading.
Optimization of Experimental Parameters to Explore Small‐Ligand/Aptamer Interactions through Use of 1H NMR Spectroscopy and Molecular Modeling
Authors: Souard Florence , Perrier Sandrine , Noël Vincent , Fave Claire , Fiore Emmanuelle , Peyrin Eric , Garcia Julian , Vanhaverbeke Cécile
Published: September 2015

Aptamers constitute an emerging class of molecules designed and selected to recognize any given target that ranges from small compounds to large biomolecules, and even cells. However, the underlying physicochemical principles that govern the ligand‐binding process still have to be clarified. A major issue when dealing with short oligonucleotides is their intrinsic flexibility that renders their active conformation highly sensitive to experimental conditions. To overcome this problem and determine the best experimental parameters, an approach based on the design‐of‐experiments methodology has been developed. Here, the focus is on DNA aptamers that possess high specificity and affinity for small molecules, L‐tyrosinamide, and adenosine monophosphate. Factors such as buffer, pH value, ionic strength, Mg2+‐ion concentration, and ligand/aptamer ratio have been considered to find the optimal experimental conditions. It was then possible to gain new insight into the conformational features of the two ligands by using ligand‐observed NMR spectroscopic techniques and molecular mechanics.
Palladium‐Catalyzed Triple Cyclization of 2,7‐Alkadiynylic Carbonates with Allenes Bearing a Carbon Nucleophile
Authors: Huang Xin , Wu Wangteng , Fu Chunling , Yu Yihua , Ma Shengming
Published: September 2015

Palladium‐catalyzed tandem reactions of 2,7‐alkadiynylic carbonates with allenes bearing a carbon nucleophile such as malonate and bis(phenylsulfonyl)methane for the efficient syntheses of fused tricycles, such as 3,5,6,7‐tetrahydro‐1H‐indeno[5,6‐c]furan, 1,2,3,5,6,7‐hexahydrocyclopenta[f]isoindole, and 1,2,3,5,6,7‐hexahydro‐s‐indacene derivatives, have been reported. The reaction forms two five‐membered rings and one benzene ring fusing them in the middle.
Age‐dependent changes in amino acid phenotype and the role of glutamate release from hypothalamic proopiomelanocortin neurons
Authors: Dennison Christina S. , King Connie M. , Dicken Matthew S. , Hentges Shane T.
Published: September 2015

Hypothalamic proopiomelanocortin (POMC) neurons are important regulators of energy balance. Recent studies indicate that in addition to their peptides, POMC neurons can release either the amino acid (AA) transmitter gamma‐aminobutyric acid (GABA) or glutamate. A small subset of POMC neurons appears to have a dual AA phenotype based on coexpression of mRNA for the vesicular glutamate transporter (vGlut2) and the GABA synthetic enzyme Gad67. To determine whether the colocalization of GABAergic and glutamatergic markers may be indicative of a switch in AA transmitter phenotype, fluorescent in situ hybridization was used to detect vGlut2 and Gad mRNA in POMC neurons during early postnatal development. The percentage of POMC neurons expressing vGlut2 mRNA in POMC neurons progressively decreased from ∼40% at day 1 to less than 10% by 8 weeks of age, whereas Gad67 was only expressed in ∼10% of POMC neurons at day 1 and increased until ∼45% of POMC neurons coexpressed Gad67 at 8 weeks of age. To determine whether the expression of vGlut2 may play a role in energy balance regulation, genetic deletion of vGlut2 in POMC neurons was accomplished using Cre‐lox technology. Male, but not female, mice lacking vGlut2 in POMC neurons were unable to maintain energy balance to the same extent as control mice when fed a high‐fat diet. Altogether, the results indicate that POMC neurons are largely glutamatergic early in life and that the release of glutamate from these cells is involved in sex‐ and diet‐specific regulation of energy balance. J. Comp. Neurol. 524:1222–1235, 2016. © 2015 Wiley Periodicals, Inc.
Nitride bonded silicon nitride as a reusable crucible material for directional solidification of silicon
Authors: Schneider V. , Reimann C. , Friedrich J. , Müller G.
Published: September 2015

Nitride bonded silicon nitride (NBSN) has the potential of a reusable crucible material for directional solidification of silicon. This is demonstrated in this work by reusing a NBSN crucible six times for the directional solidification of undoped multicrystalline (mc) silicon ingots. The progress of the ingot contamination at subsequent use of the NBSN crucible was studied systematically. Minority carrier lifetime, electrical resistivity as well as impurity content were analyzed after each solidification run. The results were compared to those obtained from ingots which were crystallized by using identical directional solidification process parameters in standard fused silica crucibles with silicon nitride coating. The impurity content of the ingots can be clearly correlated to the impurity content of the NBSN crucible. The main impurity is the acceptor B. Its concentration in the ingots decreases from about 1017 atoms/cm3 to 1016 atoms/cm3 with continued reuse. The contamination mechanism is most likely due to outdiffusion from the crucible wall into the Si melt.
Manipulation of lipids in animal‐derived foods: Can it contribute to public health nutrition?
Authors: Givens D. Ian
Published: September 2015

Foods derived from animals are an important source of nutrients for humans. Concerns have been raised that due to their SFA content, dairy foods may increase the risk of cardiometabolic disease. Prospective studies do not indicate an association between milk consumption and increased disease risk although there are less data for other dairy foods. SFA in dairy products can be partially replaced by cis‐MUFA through nutrition of the dairy cow although there are too few human studies to conclude that such modification leads to reduced chronic disease risk. Intakes of LCn‐3 FA are sub‐optimal in many countries and while foods such as poultry meat can be enriched by inclusion of fish oil in the diet of the birds, fish oil is expensive and has an associated risk that the meat will be oxidatively unstable. Novel sources of LCn‐3 FA such as krill oil, algae, and genetically modified plants may prove to be better candidates for meat enrichment. The value of FA‐modified foods cannot be judged by their FA composition alone and there needs to be detailed human intervention studies carried out before judgements concerning improved health value can be made.

Practical applications: The amount and FA composition of dietary lipids are known to contribute to the risk of chronic disease in humans which is increasing and becoming very costly to treat. The use of animal nutrition to improve the FA composition of staple foods such as dairy products and poultry meat has considerable potential to reduce chronic risk at population level although judgements must not be based simply on FA composition of the foods.

Foods from animals supply important nutrients to humans. Many also supply saturated fats, usually assumed to be bad for health (see Figure from [51]) although research shows the food that supplies them can alter their effect. In addition, the animals ‘diets can substantially alter the fatty acid composition of the food products and this may be an important means of improving diets in the future.
Analysis of target volatile compounds related to fishy off‐flavor in heated rapeseed oil: A comparative study of different headspace techniques
Authors: Sghaier Lilia , Vial Jérôme , Sassiat Patrick , Thiebaut Didier , Watiez Mickaël , Breton Sylvie , Rutledge Douglas N. , Cordella Christophe B.Y.
Published: September 2015

Off‐flavors, characterized by a fishy odor, are emitted during the heating of rapeseed oil in a fryer. In order to study the headspace composition of degraded rapeseed oil, and more specifically the compounds responsible for the fishy odor, four headspace techniques were evaluated: Static headspace (SHS), headspace trap (HS Trap), headspace solid phase microextraction (HS‐SPME), and headspace sorptive extraction (HSSE) coupled to gas chromatography‐mass spectrometry (GC‐MS). The selected model compounds to develop the headspace methods were 1‐penten‐3‐one, 1‐octen‐3‐one, and E,Z‐2,6‐nonadienal as known fishy odor markers. Extraction conditions for the four techniques were optimized and evaluated in terms of repeatability and sensitivity. They were then applied to the analysis of real samples of degraded rapeseed oil. SHS was not suitable for the analysis of odorant volatile compounds because of LOD values lower than those required for a quantitative analysis of the target compounds. Concerning HS‐SPME and HSSE, a discrimination against the more volatile compounds was observed. Finally, HS Trap‐GC‐MS was considered the most appropriate technique for the analysis of the headspace of rapeseed oil in this study with LOD values less than 2 μg/L for the three target compounds. More than 60 compounds were identified by HS Trap‐GC‐MS and two compounds responsible for the fishy odor could be detected. The evolution of the relative areas of these compounds was reported for fresh oil and rapeseed oil degraded by 1, 5, and 10 heating cycles.

Practical applications: The characterization of the volatile compounds responsible for the fishy odor is a key industrial issue. Moreover, the developed method with HS‐Trap could be used to quantify several volatile compounds characteristic of the degradation of rapeseed oil, and to evaluate the possible effect of antioxidants on oils.

Rapeseed oil is edible oil containing a substantial amount of omega 3, but the heating of this oil leads to the formation of off‐flavors, characterized by a fishy odor. The characterization of these off‐flavors is a key industrial issue, and different headspace techniques can be considered to study the molecules present in the headspace of degraded rapeseed oil.
Decontaminated fishmeal and fish oil from the Baltic Sea are promising feed sources for Arctic char (Salvelinus alpinus L.)—studies of flesh lipid quality and metabolic profile
Authors: Cheng Ken , Wagner Liane , Moazzami Ali A. , Gómez‐Requeni Pedro , Schiller Vestergren AnnaLotta , Brännäs Eva , Pickova Jana , Trattner Sofia
Published: September 2015

The Baltic Sea is one of the world's most pollution‐threatened brackish environments and limited direct consumption of fatty fish from the Baltic Sea is recommended. The use of decontaminated Baltic Sea fish raw materials as fish feed could be a strategy to recycle Baltic Sea nutrients back into food chain, while relieving pressure on aqua‐feed in the growing aquaculture industry. In this study, defatted fishmeal and semi‐purified fish oil from the Baltic Sea were used in fish feeds for Arctic char (Salvelinus alpinus L.). The effects of the Baltic Sea‐sourced fish feeds on flesh lipid quality and fish metabolomics, compared with a standard commercial feed as a control, were determined. 1H NMR‐based metabolomics studies indicated disturbances in energy metabolism and hepatic toxicity in fish fed both crude fishmeal and crude fish oil, associated with up‐regulation (IGF‐I, GHR‐I, PPARα, PPARβ1A) and down‐regulation (SREBP‐1 and FAS) of hepatic genes expression. The content of n‐3 long chain polyunsaturated fatty acids was not affected by the decontamination process. Thus, this short‐term study demonstrates that decontaminating Baltic Sea‐sourced fishmeal and fish oil reduces adverse effects in Arctic char.

Practical applications: Decontaminated fish materials from the Baltic Sea were shown to be promising feed ingredients for Arctic char (Salvelinus alpinus L.) compared with untreated Baltic Sea‐sourced fish feed, which induced changes in fish physiology associated with energy metabolism and hepatotoxicity. Baltic Sea‐sourced fish materials containing high levels of long chain polyunsaturated fatty acids are valuable feed ingredients.

The Baltic Sea‐sourced fishmeal (CFM and DFM) and fish oil (CFO and SPFO) were tested in fish feeds for Arctic charr (Salvelinus alpinus), compared with a commercial diet as a control. Flesh lipid quality, metabolic profile in liver and muscle and hepatic gene expression (IGF‐I, GHR‐I, SREBP‐1, etc.) were evaluated.
Comparative study of GC‐MS characterization, antioxidant activity and hyaluronidase inhibition of different species of Lavandula and Thymus essential oils
Authors: Carrasco Alejandro , Tomas Virginia , Tudela Jose , Miguel Maria G.
Published: September 2015

The chemical compositions of essential oils of Lavandula angustifolia, Lavandula latifolia, Lavandula hybrida cultivar Grosso and cultivar Super, Thymus zygis with high proportions of thymol and linalool and Thymus hyemalis, from Murcia country (Spain), were studied in relative (%), absolute (mM) and chiral concentrations by GC/MS. Hyaluronidase inhibition and antioxidant activities of the essential oils were evaluated using ABTS•+, DPPH•, ORAC, chelating power, hydroxyl radical, nitric oxide, TBARS and reducing power assays. Linalool and linalyl acetate were the most abundant components in the Lavandula genus whereas thymol, linalool and 1,8‐cineole were the most abundant molecules in the respective Thymus species. Chiral determination of the main components showed (+)‐enantiomers like terpinen‐4‐ol, β‐pinene, borneol and α‐terpineol and (−)‐enantiomers like linalool, linalyl acetate and camphene in Lavandula sp. In the case of Thymus sp. (+)‐enantiomers like α‐pinene, limonene, terpinen‐4‐ol and α‐terpineol and (−)‐enantiomers like borneol were found. Essential oils containing thymol were found especially powerful in all assays but chelating power, ORAC and hydroxyl radical scavenging assays. The capacity for inhibiting hyaluronidase showed that T. zygis with a high proportion of thymol was the most effective inhibitor. Essential oils containing thymol and linalool/linalyl acetate have a potential use as antioxidant agents. Thymol shows strong inhibition of hyaluronidase. Copyright © 2015 John Wiley & Sons, Ltd.
Is the introduction of an accreditation program likely to generate organization‐wide quality, change and learning?
Authors: Lanteigne Gilles , Bouchard Chantal
Published: September 2015

Objective

This research assesses whether integration of Accreditation Canada's program brings about change and organizational learning.

Methods

Two health organizations, the Health Authority of Anguilla and the Ca' Foncella Opetale di Treviso, are studied on three levels: (1) members; (2) accreditation teams; and (3) organization. The methods used to collect data consisted of individual questionnaires administered to team members, semi‐formal interviews with team leaders and quality coordinators, a documentation review and periodic assessments of compliance with the standards.

Results

The findings indicate that the organizations made strategic, organizational and relational changes. They improved their systems and management practices as well as their internal and external communications. There was also useful learning by individuals, teams and the organizations. Individual learning involved quality practice, client‐focused approach, risk management, ethics, participatory management and assessment of services. The “self‐assessment” and “make improvements and follow up on recommendations” stages of the accreditation cycle contributed the most to change and organizational learning. The interdisciplinary accreditation teams were the preferred vehicle for achieving these changes and this learning.

Conclusions

The Health Authority of Anguilla and Ca' Foncella Opetale di Treviso have gradually improved their level of compliance with the standards in all quality dimensions. However, improvement in the overall compliance level was below the program's minimum requirements to obtain accreditation status without major restrictions. The scope of the changes and learning achieved raises the issue of the capacity of organizations to formalize this new knowledge throughout the organization. Copyright © 2015 John Wiley & Sons, Ltd.
From There and Back Again
Authors: Bohart Arthur C.
Published: September 2015

This article describes my journey from being a radical, person‐centered therapist in the 1960s to the present. In the 1960s, my colleagues and I saw therapy as a person‐to‐person encounter. Over the years I lost that notion and became corrupted by the idea that therapy is a process of intervening to make things happen in clients. In the 1990s, I found my way back to the idea of therapy as a meeting of persons because of a research review that showed that it was clients’ investment and creativity that were primarily responsible for making therapy work and because of my experiences with clients. In the meantime, the field had aged and political developments within it, such as the empirically supported treatments movement, also influenced how I came to view myself. I conclude by giving my current view of therapy as a process in which I am not intervening but engaging in a person‐to‐person meeting, within which I am free to offer techniques and ideas from many different approaches if appropriate.
Fuctionalization of Linear and Angular Phenothiazine and Phenoxazine Ring Systems via Pd(0)/XPhos Mediated Suzuki‐Miyaura Cross‐coupling Reactions
Authors: Onoabedje Efeturi A. , Okoro Uchechukwu C. , Knight David W. , Sarkar Amitabha
Published: September 2015

Chloro‐substituted phenothiazines and phenoxazines were successfully derivatized with phenylboronic and styrylboronic acids using Suzuki–Miyaura cross‐coupling reaction catalyzed by Pd(0)/XPhos for the first time in good yields. The protocol employed 4 mol% Pd and 7 mol% XPhos with K3PO4 in acetonitrile at 80°C. The reaction condition is compatible with carbonyl and unprotected N–H groups in substrates. Structural assignments were established by combined spectroscopic (UV, IR, 1H, and 13C NMR), MS, and elemental analytical data.
Product design for strong cover glass
Authors: Ohkawa Hiroyuki , Kobayashi Yusuke , Akiba Syusaku , Hayashi Kazutaka , Nakashima Tetsuya , Nakagawa Aya , Saiki Hitoshi , Ishimaru Naohiko
Published: September 2015

Strength is one of the most important properties of cover glass. In this study, fracture analysis is used to classify the breakage mode of cover glass into four typical modes. Moreover, the mechanism and evaluation method of each mode are investigated. Consequently, a chemical strengthening design with high compressive stress (CS) and low center tension (CT) is obtained. In addition, processing design is determined to be an important factor. Fining of edge processing and surface polishing after chemical strengthening are shown to enhance the edge and surface strength, respectively.
Impact of source/drain contacts formation of self‐aligned amorphous‐IGZO TFTs on their negative‐bias‐illumination‐stress stabilities
Authors: Nag Manoj , Steudel Soeren , Smout Steve , Bhoolokam Ajay , Genoe Jan , Cobb Brian , Kumar Abhishek , Groeseneken Guido , Heremans Paul
Published: September 2015

In this study, we have compared the performance of self‐aligned a‐IGZO thin‐film transistors (TFTs) whereby the source/drain (S/D) region's conductivity enhanced in three different ways, that is, using SiNx interlayer plasma (hydrogen diffusion), using calcium (Ca as reducing metal) and using argon plasma (changing the atomic ratio). All these TFTs show comparable characteristics such as field‐effect mobility (μFE) of over 10.0 cm2/(V.s), sub‐threshold slope (SS‐1) of 0.5 V/decade, and current ratio (ION/IOFF) over 108. However, under negative‐bias‐illumination‐stress (NBIS), all these TFTs showed strong degradation. We attributed this NBIS stability issue to the exposed S/D regions and changes in the conductivity of S/D contact regions. The hydrogen plasma‐treated TFTs showed the worst NBIS characteristics. This is linked to increased hydrogen diffusion from the S/D contact regions to the channel.