bluuebunny/crossref_metadata_2025 huggingface dataset:
A Resonant Message: Aligning Scholar Values and Open Access Objectives in OA Policy Outreach to Faculty and Graduate Students
Authors: Otto Jane Johnson
Published: December 2016

INTRODUCTION Faculty contribution to the institutional repository is a major limiting factor in the successful provision of open access to scholarship, and thus to the advancement of research productivity and progress. Many have alluded to outreach messages through studies examining faculty concerns that underlie their reluctance to contribute, but specific open access messages demonstrated to resonate most with faculty have not been discussed with sufficient granularity. Indeed, many faculty benefits and concerns are likely either unknown to the faculty themselves, or unspoken, so the literature’s record of faculty benefits and perceptions of open access remains incomplete at best. DESCRIPTION OF PROGRAM At Rutgers University, we have developed a targeted message that both addresses these unspoken/unknown concerns and benefits and speaks to the promise and inevitability of open access in a changing scholarly communication landscape. This paper details that message and its rationale, based on a critical review of the literature currently informing outreach programs, in order to provoke further discussion of specific outreach messages and the principles underlying them. NEXT STEPS A robust scholarly communication organization, open access policy advisory board, expanded outreach, and sustained momentum will be critical to ensuring success with measurable outcomes. Metrics used to evaluate both OA policy implementation efforts and institutional repositories should be reevaluated in light of the governing objectives of open access outreach efforts and tools. It is hoped that a reassessment of the message and the metrics will better align both with the true promise and prerequisites of open access.
Modeling and analysis of loaded multilayered magnetoelectroelastic structures composite materials: Applications
Authors: Ajdour M. , Bakkali A. , Azrar L. , El Omri A.
Published: December 2016

This paper presents the detailed analysis of fiber- reinforced magnetoelectroelastic composite plates. The work is divided into two major sections. The first one deals with the homogenization of the properties of each layer based on the Mori-Tanaka mean field approach where all the needed effective coefficients of each layer are determined. Then, in order to perform analysis of the considered, the Stroh formalism is used to provide solutions for multifunctional multilayered magnetoelectroelastic composites, to predict exactly the mechanical and electrical behaviors near or across the interface of material layers.
ESTIMATIVA DE CRÉDITO DE CARBONO NA GERAÇÃO DE ENERGIA COM FONTES RENOVÁVEIS NA ILHA DE MARIMARITUBA-SANTARÉM-PA
Authors: Solimar dos Santos Veronica , Blanco Claudio José Cavalcante
Published: December 2016

A estimativa de crédito de carbono com geração de energia renovável, na Ilha de Marimarituba, município de Santarém-PA, é analisada. Modelos para as reduções de emissões de Gases de Efeito Estufa (GEE) para geração de energia a partir de fontes renováveis foram desenvolvidos. Tais modelos estão presentes nas metodologias de projetos de Mecanismo de Desenvolvimento Limpo (MDL) de pequena escala. A demanda anual de energia da comunidade foi determinada, sendo verificados os tipos de demanda, obtendo-se uma demanda de 10,2 kW e um consumo anual projetado de 20,6 MWh. Assim, utilizou-se o modelo da Metodologia AMS I.L, estimando-se uma redução de emissão de 37,81 tCO2/ano, que totaliza 378,10 tCO2 para um projeto com vida útil de 10 anos, podendo-se obter US$ 4.964,45 (R$ 20.056,38) pelas toneladas de CO2 que deixaram de ser emitidas. O abastecimento da ilha foi definido como sendo através de um sistema de geração hidrocinético, o qual possui um payback de 4 anos, considerando-se os dividendos com a venda dos créditos de carbono. Certamente, para instalação do sistema, a comunidade precisará de investimentos públicos e/ou privados. Assim, a proposta de investimento em sistemas de geração de energia renovável é de fundamental importância para o desenvolvimento sustentável da Amazônia, pois possibilita maior autonomia aos sistemas isolados com a elaboração de seus respectivos projetos de MDL, arrecadando fundos para as despesas de operação e manutenção de tais sistemas, além de reduzir as emissões de gases de efeito estufa para a atmosfera.
Functional and structural characterisation of a bacterial O‐methyltransferase and factors determining regioselectivity
Authors: Siegrist Jutta , Netzer Julia , Mordhorst Silja , Karst Lukas , Gerhardt Stefan , Einsle Oliver , Richter Michael , Andexer Jennifer N.
Published: December 2016

Mg2+‐dependent catechol‐O‐methyltransferases occur in animals as well as in bacteria, fungi and plants, often with a pronounced selectivity towards one of the substrate's hydroxyl groups. Here, we show that the bacterial MxSafC exhibits excellent regioselectivity for para as well as for meta methylation, depending on the substrate's characteristics. The crystal structure of MxSafC was solved in apo and in holo form. The structure complexed with a full set of substrates clearly illustrates the plasticity of the active site region. The awareness that a wide range of factors influences the regioselectivity will aid the further development of catechol‐O‐methyltransferases as well as other methyltransferases as selective and efficient biocatalysts for chemical synthesis.
RNPS1 is modulated by ubiquitin‐specific protease 4
Authors: Kwon Seul‐Ki , Kim Eun‐Hea , Baek Kwang‐Hyun
Published: December 2016

RNA‐binding protein with serine‐rich domain 1 (RNPS1) is a component of pre‐splicing and post‐splicing multiprotein complexes, which activates constitutive and alternative splicing. RNPS1 participates in the formation of the spliceosome and activates the pre‐mRNA splicing process. In the present study, we found that ubiquitin‐specific protease 4 (USP4) is a binding partner of RNPS1. Although RNPS1 is polyubiquitinated by both K48‐ and K63‐linkages, USP4 exclusively deubiquitinates K63‐linked polyubiquitin chains of RNPS1. We also demonstrate that the catalytic activity of USP4 on ubiquitinated RNPS1 is elevated by squamous cell carcinoma antigen recognized by T cells 3 (Sart3).
A flexible cofactor‐binding loop in the novel arginine methyltransferase Sfm1
Authors: Wang Caiyan , Zeng Jianhua , Xie Wei
Published: December 2016

Arginine methylation is a common post‐translational modification and is critical for many cellular processes. Sfm1 is a novel arginine methyltransferase that contains a SpoU‐TrmD (SPOUT) domain, a typical fold known for RNA methylation, but acts on a ribosomal protein. The underlying mechanism is poorly understood. Here, we report cocrystal structures of Sfm1 in complex with various ligands. We found that a critical loop responsible for S‐adenosyl‐l‐methionine (SAM) binding adopts a different conformation from previous reports, and SAM appears to exhibit double conformations. Deletion of this loop greatly reduces the affinity of Sfm1 to SAM. Additionally, by comparison to closely related tRNA‐methyltransferase Trm10, our structural analyses offer a good explanation why the two enzymes utilize distinct substrates, providing insights into the molecular mechanism.
Hip Shape as a Predictor of Osteoarthritis Progression in a Prospective Population Cohort
Authors: Ahedi Harbeer G. , Aspden Richard M. , Blizzard Leigh C. , Saunders Fiona R. , Cicuttini Flavia M. , Aitken Dawn A. , Jones Graeme , Gregory Jennifer S.
Published: December 2016

Objective

Hip morphology plays a significant role in the incidence and progression of hip osteoarthritis (OA). We hypothesized that hip shape would also be associated with other key factors and tested this in a longitudinal community‐based cohort combining radiographic, magnetic resonance imaging (MRI), dual‐energy x‐ray absorptiometry (DXA), and clinical data.

Methods

Baseline DXA images of the left hip of 831 subjects from the Tasmanian Older Adult Cohort were analyzed using an 85‐point statistical shape model. Hip pain was assessed using the Western Ontario and McMaster Universities Osteoarthritis Index, and muscle strength was measured using a dynamometer. Hip structural changes were assessed using MRI and radiographic OA using plain radiographs.

Results

Six shape modes accounted for 68% of shape variation. At baseline, modes 1, 2, 4, and 6 were associated with radiographic hip OA; modes 1, 3, 4, and 6 were correlated with hip cartilage volume; and all except mode 2 were correlated with muscle strength. Higher mode 1 and lower mode 3 and mode 6 scores at baseline predicted hip pain at followup and higher mode 1 and mode 2 scores were associated with hip effusion‐synovitis. Higher scores for mode 2 (decreasing acetabular coverage) and lower scores for mode 4 (nonspherical femoral head) at baseline predicted 10‐year total hip replacement (THR), while mode 4 alone was correlated with bone marrow lesions (BMLs), effusion‐synovitis, and increased cartilage signal.

Conclusion

Hip shape is associated with radiographic OA, THR, hip pain, effusion‐synovitis, BMLs, muscle strength, and hip structural changes. These data suggest that different shape modes reflect multiple facets of hip OA.
Designing Thin, Ultrastretchable Electronics with Stacked Circuits and Elastomeric Encapsulation Materials
Authors: Xu Renxiao , Lee Jung Woo , Pan Taisong , Ma Siyi , Wang Jiayi , Han June Hyun , Ma Yinji , Rogers John A. , Huang Yonggang
Published: December 2016

Many recently developed soft, skin‐like electronics with high performance circuits and low modulus encapsulation materials can accommodate large bending, stretching, and twisting deformations. Their compliant mechanics also allows for intimate, nonintrusive integration to the curvilinear surfaces of soft biological tissues. By introducing a stacked circuit construct, the functional density of these systems can be greatly improved, yet their desirable mechanics may be compromised due to the increased overall thickness. To address this issue, the results presented here establish design guidelines for optimizing the deformable properties of stretchable electronics with stacked circuit layers. The effects of three contributing factors (i.e., the silicone interlayer, the composite encapsulation, and the deformable interconnects) on the stretchability of a multilayer system are explored in detail via combined experimental observation, finite element modeling, and theoretical analysis. Finally, an electronic module with optimized design is demonstrated. This highly deformable system can be repetitively folded, twisted, or stretched without observable influences to its electrical functionality. The ultrasoft, thin nature of the module makes it suitable for conformal biointegration.
Single Crystal Microrod Based Homonuclear Photonic Molecule Lasers
Authors: Wang Kaiyang , Sun Wenzhao , Wang Shuai , Liu Shuai , Zhang Nan , Xiao Shumin , Song Qinghai
Published: December 2016

Homonuclear photonic molecules are essential platforms to tailor and manipulate light in micro‐ and nanoscales. While photonic molecule microlasers have been widely explored in the past two decades, the unavoidable fabrication deviations make their resonant units hard to be identical and, thus, the corresponding practical applications are hindered by the experimental realization. Herein, the authors experimentally demonstrate a novel and effective approach to achieve homonuclear photonic molecule lasers with the synthesized single crystalline CH3NH3PbBr3 perovskite microwires. A single crystalline microwire is cut into two segments that are placed shoulder by shoulder in proximity. Due to their naturally flat facets and uniformity, the transverse whispering‐gallery‐mode lasers in two parts are almost the same and can naturally couple each other via evanescent waves. Consequently, bonding and antibonding modes are successfully achieved in many similar systems without applying any external controls. All of these experimental observations are consistent with the photonic molecule theory and are confirmed with numerical calculations. This research can be applied to all bottom‐up synthesized microwires and, thus, will open a new avenue of bottom‐up synthesized microrods to quantum optics and photonic circuits.
Nitrogen‐Doped CNx/CNTs Heteroelectrocatalysts for Highly Efficient Dye‐Sensitized Solar Cells
Authors: Shrestha Aabhash , Batmunkh Munkhbayar , Shearer Cameron J. , Yin Yanting , Andersson Gunther G. , Shapter Joseph G. , Qiao Shizhang , Dai Sheng
Published: December 2016

The use of polydopamine as a nitrogen containing precursor to generate catalytically active nitrogen‐doped carbon (CNx) materials on carbon nanotubes (CNTs) is reported. These N‐doped CNx/CNT materials display excellent electrocatalytic activity toward the reduction of triiodide electrolyte in dye‐sensitized solar cells (DSSCs). Further, the influence of various synthesis parameters on the catalytic performance of CNx/CNTs is investigated in detail. The best performing device fabricated with the CNx/CNTs material delivers power conversion efficiency of 7.3%, which is comparable or slightly higher than that of Pt (7.1%) counter electrode‐based DSSC. These CNx/CNTs materials show great potential to address the issues associated with the Pt electrocatalyst including the high cost and scarcity.
Tolerance and pharmacokinetics of a ciprofloxacin‐coated sinus stent in a preclinical model
Authors: Cho Do‐Yeon , Hoffman Kyle , Skinner Daniel , Mackey Calvin , Lim Dong Jin , Alexander Grant C. , Bae Chae Yun , Han Dong Keun , Jun Ho‐Wook , Woodworth Bradford A.
Published: December 2016

Background

Chronic rhinosinusitis (CRS) is often associated with persistent bacterial infection despite the use of systemic antibiotics. Topically administered antibiotics are an alternative strategy, but require effective local concentrations, prolonged mucosal contact time, minor systemic absorption, and minimal depletion. The objectives of the current study were to analyze the in vitro release rate and in vivo drug delivery tolerance and pharmacokinetics of a ciprofloxacin‐coated sinus stent (CSS).

Methods

The CSS (2 mg) was created from biodegradable poly‐D/L‐lactic acid. After analyzing in vitro release profile, CSSs were placed unilaterally in maxillary sinuses of 16 rabbits via dorsal sinusotomy. Animals were euthanized between 1 and 3 weeks postoperatively. Ciprofloxacin concentrations in the sinus tissue and plasmas were assessed using high‐performance liquid chromatography. Radiological and histological evaluations were performed.

Results

In the in vitro release profile, an initial burst release was observed over the first 24 hours, followed by sustained release through the 14‐day time point. In the rabbit model, ciprofloxacin was continuously released from the stent up to 3 weeks at doses >50 ng/mL. Histologic examination found no evidence of inflammation, epithelial ulceration, or bony reaction upon euthanization of the animals at 21 days. Computed tomography also demonstrated no signs of mucosal edema or opacification in the sinus.

Conclusion

The CSS was safe in this preclinical model and sustained release was observed in both the in vitro and in vivo analyses. The innovative stent design coated with ciprofloxacin may provide a unique therapeutic strategy for chronic rhinosinusitis (CRS).
Time‐Dependent Free‐Particle Salpeter Equation: Numerical and Asymptotic Analysis in the Light of the Fundamental Solution
Authors: Torre Amalia , Lattanzi Ambra , Levi Decio
Published: December 2016

A detailed study of the spinless (1+1)D free‐particle Salpeter equation is presented. It involves several aspects of the topic: from the analysis of the behavior of solutions of the equation, both numerically evaluated and asymptotically approximated for definite initial conditions, to the comparison with the behavior of the corresponding solutions of the Schrödinger equation in order to both highlight the differences and to possibly understand how the latter “flow” in the former. Interesting analogies with other fields of physics, in particular with optics, are suggested.
Enantioselektive Synthese und Racemisierung von (−)‐Sinoracutin
Authors: Volpin Giulio , Vepřek Nynke A. , Bellan Andreas B. , Trauner Dirk
Published: December 2016

Sinoracutin ist ein Alkaloid mit ungewöhnlichen strukturellen und biologischen Eigenschaften. Es besteht aus einem einzigartigen tetracyclischen 6/6/5/5‐Gerüst mit einem N‐Methylpyrrolidinring, der mit einer Cyclopentenoneinheit verbunden ist. Interessanterweise wurden beide Enantiomere von Sinoracutin unabhängig voneinander aus derselben Pflanze isoliert, allerdings nicht in racemischer Form. Hier wird eine Synthese von (−)‐Sinoracutin beschrieben, die auf einer diastereoselektiven Pauson‐Khand‐Reaktion und einer Mandai‐Claisen‐Umlagerung zur Einführung des quartären Stereozentrums beruht. Die vorliegende Arbeit bestätigt die absolute Konfiguration des laevorotatorischen Isomers und legt nahe, dass die Enantiomerenreinheit des Naturstoffs infolge langsamer Racemisierung variiert. Diese Vorhersage wird durch experimentelle Befunde gestützt, und plausible Mechanismen für die Racemisierung werden vorgeschlagen.
Water‐Rich Fluid Material Containing Orderly Condensed Proteins
Authors: Nojima Tatsuya , Iyoda Tomokazu
Published: December 2016

A fluid material with high protein content (120–310 mg mL−1) was formed through the ordered self‐assembly of native proteins segregated from water. This material is instantly prepared by the simple mixing of a protein solution with anionic and cationic surfactants. By changing the ratio of the surfactants based on the electrostatic characteristics of the target protein, we observed that the surfactants could function as a versatile molecular glue for protein assembly. Moreover, these protein assemblies could be disassembled back into an aqueous solution depending on the salt conditions. Owing to the water‐retaining properties of the hydrophilic part of surfactants, the proteins in this material are in a water‐rich environment, which maintains their native structure and function. The inclusion of water also provides functional extensibility to this material, as demonstrated by the preparation of an enzymatically active gel. We anticipate that the unique features of this material will permit the use of proteins not only in solution but also as elements of integrated functionalized materials.
Enantioselective Synthesis and Racemization of (−)‐Sinoracutine
Authors: Volpin Giulio , Vepřek Nynke A. , Bellan Andreas B. , Trauner Dirk
Published: December 2016

Sinoracutine is a recently isolated alkaloid with unusual stereochemical and biological properties. It features an unprecedented tetracyclic 6/6/5/5 skeleton that bears an N‐methylpyrrolidine ring fused to a cyclopentenone. Interestingly, both enantiomers of sinoracutine have been independently isolated from the same plant, yet the molecule does not appear to occur as a racemate. Here, we present a short synthesis of (−)‐sinoracutine that relies on a highly diastereoselective Pauson–Khand reaction and a Mandai–Claisen reaction to install the quaternary stereocenter. Our work establishes the absolute configuration of the levorotatory isomer and suggests that the optical purity of sinoracutine varies in nature due to its gradual racemization. Experimental evidence supports this proposal, and a plausible mechanism for the racemization is provided.
Protein Structural Ensembles Visualized by Solvent Paramagnetic Relaxation Enhancement
Authors: Gong Zhou , Gu Xin‐Hua , Guo Da‐Chuan , Wang Jin , Tang Chun
Published: December 2016

A protein can be in different conformations when fulfilling its function. Yet depiction of protein structural ensembles remains difficult. Here we show that the accurate measurement of solvent paramagnetic relaxation enhancement (sPRE) in the presence of an inert paramagnetic cosolute allows the assessment of protein dynamics. Demonstrated with two multi‐domain proteins, we present a method to characterize protein microsecond–millisecond dynamics based on the analysis of the sPRE. Provided with the known structures of a protein, our method uncovers an ensemble of structures that fully accounts for the observed sPRE. In conjunction with molecular dynamics simulations, our method can identify protein alternative conformation that has only been theorized before. Together, our method expands the application of sPRE beyond structural characterization of rigid proteins and complements the established PRE NMR technique.
Bioreaction Engineering Leading to Efficient Synthesis of L‐Glyceraldehyd‐3‐Phosphate
Authors: Molla Getachew S. , Kinfu Birhanu M. , Chow Jennifer , Streit Wolfgang , Wohlgemuth Roland , Liese Andreas
Published: December 2016

Enantiopure L‐glyceraldehyde‐3‐phosphate (L‐GAP) is a useful building block in natural biological and synthetic processes. A biocatalytic process using glycerol kinase from Cellulomonas sp. (EC 2.7.1.30) catalyzed phosphorylation of L‐glyceraldehyde (L‐GA) by ATP is used for the synthesis of L‐GAP. L‐GAP has a half‐life of 6.86 h under reaction conditions. The activity of this enzyme depends on the Mg2+ to ATP molar ratio showing maximum activity at the optimum molar ratio of 0.7. A kinetic model is developed and validated showing a 2D correlation of 99.9% between experimental and numerical data matrices. The enzyme exhibits inhibition by ADP, AMP, methylglyoxal and Ca2+, but not by L‐GAP and inorganic orthophosphate. Moreover, equal amount of Ca2+ exerts a different degree of inhibition relative to the activity without the addition of Ca2+ depending on the Mg2+ to ATP molar ratio. If the Mg2+ to ATP molar ratio is set to be at the optimum value or less, inorganic hexametaphosphate (PPi6) suppresses the enzyme activity; otherwise PPi6 enhances the enzyme activity. Based on reaction engineering parameters such as conversion, selectivity and specific productivity, evaluation of different reactor types reveals that batchwise operation via stirred‐tank reactor is the most efficient process for the synthesis of L‐GAP.
Systematic interpolation method predicts protein chromatographic elution with salt gradients, pH gradients and combined salt/pH gradients
Authors: Creasy Arch , Barker Gregory , Carta Giorgio
Published: December 2016

A methodology is presented to predict protein elution behavior from an ion exchange column using both individual or combined pH and salt gradients based on high‐throughput batch isotherm data. The buffer compositions are first optimized to generate linear pH gradients from pH 5.5 to 7 with defined concentrations of sodium chloride. Next, high‐throughput batch isotherm data are collected for a monoclonal antibody on the cation exchange resin POROS XS over a range of protein concentrations, salt concentrations, and solution pH. Finally, a previously developed empirical interpolation (EI) method is extended to describe protein binding as a function of the protein and salt concentration and solution pH without using an explicit isotherm model. The interpolated isotherm data are then used with a lumped kinetic model to predict the protein elution behavior. Experimental results obtained for laboratory scale columns show excellent agreement with the predicted elution curves for both individual or combined pH and salt gradients at protein loads up to 45 mg/mL of column. Numerical studies show that the model predictions are robust as long as the isotherm data cover the range of mobile phase compositions where the protein actually elutes from the column.
A Metal‐Free, Nonconjugated Polymer for Solar Photocatalysis
Authors: Irigoyen‐Campuzano Rafael , González‐Béjar María , Pino Eduardo , Proal‐Nájera Jose B. , Pérez‐Prieto Julia
Published: December 2016

Heterogeneous catalysts that can absorb light over the solar range are ideal for green photocatalysis. Recently, attention has been directed towards the generation of novel solar‐light photocatalysts, in particular, metal‐free polymers. Herein, it is demonstrated that a metal‐free, nonconjugated, anthraquinone‐based copolymer (poly[1,4‐diamine‐9,10‐dioxoanthracene‐alt‐(benzene‐1,4‐dioic acid)] (COP)) with a strong absorption in the visible region is effective as a sunlight heterogeneous photocatalyst. As a proof of concept, it has been used to mineralize 2,5‐dichlorophenol (2,5‐DCP) in water under air and sunlight irradiation. The photocatalytic efficiency of COP compares well with that of TiO2‐P25 when the reaction is carried out in a solar photoreactor in acid medium. Steady‐state and time‐resolved (absorption and emission) studies performed on COP suspended in 6:4 DMF/H2O have provided valuable information about the COP species generated under different pH conditions. Steady‐state absorption and fluorescence data are consistent with the existence of a tautomeric equilibrium between the 9,10‐keto and 1,10‐iminoketo quinoid forms for the anthraquinone in the ground state. Moreover, in basic media, transient absorption measurements showed the presence of two bands ascribed to the tautomeric triplet excited states, whereas only one of the triplets was observed in acid medium. A mechanism for the photocatalyzed degradation of 2,5‐DCP by COP is proposed on the basis of these observations.
Modulation of Excess Electron Transfer through LUMO Gradients in DNA Containing Phenanthrenyl Base Surrogates
Authors: Roethlisberger Pascal , Kaliginediand Veerabhadrarao , Leumann Christian J.
Published: December 2016

The modulation of excess electron transfer (EET) within DNA containing a dimethylaminopyrene (C‐AP) as an electron donor and 5‐bromouracil (BrdU) as an electron acceptor through phenanthrenyl pairs (phen‐R) could be achieved by modifying the phenanthrenyl base surrogates with electron withdrawing and donating groups. Arranging the phenanthrenyl units to form a descending LUMO gradient increased the EET efficiency compared to the electron transfer through uniform LUMOs or an ascending LUMO gradient.
Mild Oxalic‐Acid‐Catalyzed Hydrolysis as a Novel Approach to Prepare Cellulose Nanocrystals
Authors: Xu Wenyang , Grénman Henrik , Liu Jun , Kronlund Dennis , Li Bin , Backman Peter , Peltonen Jouko , Willför Stefan , Sundberg Anna , Xu Chunlin
Published: December 2016

The traditional method to isolate cellulose nanocrystals (CNCs) is to subject cellulosic materials to strong acid hydrolysis by mineral acids, which usually causes problems such as corrosion of equipment, the need for large amounts of water, the difficulty of acid recovery, and over‐degradation of cellulose. Thus, a green and sustainable approach for the preparation of CNCs was developed where mild acid hydrolysis with diluted oxalic acid was used. The reaction kinetics of different preparation parameters, such as reaction temperature, oxalic acid dose, addition of HCl, and reaction time were thoroughly investigated. A high yield of up to 85 % was achieved by mild oxalic acid hydrolysis in comparison to the yield of 35 % using the most common approach with sulfuric acid hydrolysis. The CNCs from the above approach have a high thermal stability, that is, a maximum thermal degradation temperature of 350 °C in comparison to 200 °C when sulfuric acid hydrolysis was used. Importantly, oxalic acid solutions were readily recovered, and exhibited consistently high performance in several continuous runs of reaction. The hydrolysates contained mostly monomeric sugars, which could be further utilized for chemical or biofuel production.
Precursor States of Organic Adsorbates on Semiconductor Surfaces are Chemisorbed and Immobile
Authors: Pecher Lisa , Tonner Ralf
Published: December 2016

The front cover artwork is provided by Aaron Beller (Faculty of Arts, Philipps‐Universität Marburg) in collaboration with the authors. The image shows how the firm grip of a dative bond, indicated by a black arrow, prevents a weakly adsorbed ethylene molecule from moving on the Si(001) surface. Read the full text of the article at 10.1002/cphc.201601129.
Supramolecular Isoguanosine Assemblies Form Hydrogels with Excellent Long‐Term Stability
Authors: Zhao Hang , Schäfer Andreas H. , Seela Frank
Published: December 2016

Supramolecular nucleoside‐based hydrogels have the potential to be utilized in drug delivery, regenerative medicine and for the construction of nanoscopic devices. Isoguanosine, its 2′‐deoxyribonucleoside and the 2′‐deoxy‐2′‐fluororibonucleoside form hydrogels in alkali metal salt solutions. Gel stability depends on the metal ions used (Li+, Na+, K+, Rb+, Cs+). All isoguanosine gels show long‐term stability of several months, whereas guanosine gels collapse within minutes or hours. Rheological data confirm a 15 times higher hydrogel stability for isoguanosine compared to guanosine. Isoguanosine gel stability covers a broad pH range (pH 3–10), and the stability at physiological Na+ ion concentration is striking. SEM images reveal that isoguanosine self‐assembles into helical stacked fibers that are interconnected whereas guanosine forms discrete ribbons. Moreover, isoguanosine gels display excellent loading and release ability for small molecules.
Strategy for Extending the Stability of Bio‐oil‐Derived Phenolic Oligomers by Mild Hydrotreatment with Ionic‐Liquid‐Stabilized Nanoparticles
Authors: Kim Kwang Ho , Brown Robert C. , Daugaard Tannon , Tivol William F. , Auer Manfred , Simmons Blake , Singh Seema
Published: December 2016

The development of catalytic transformations and processes is essential to utilize bio‐oil and lignin derivatives. Metal nanoparticles (M‐NPs) stabilized in ionic liquids (ILs) are promising for the catalytic hydrotreatment of bio‐oil because the properties of the catalyst system can be customized by combining the appropriate IL and metal nanoparticles. Herein, we demonstrate an experimental approach to stabilize lignin‐derived phenolics isolated from bio‐oil with ruthenium NPs stabilized by an ionic copolymer in 1‐ethyl‐3‐methylimidazolium acetate ([C2C1Im][OAc]). The mild hydrotreatment of phenolic oligomers (POs) was performed with the synthesized M‐NP catalyst at 100 °C for 6 h. Hydrotreatment of the POs resulted in enhanced thermal stability of the POs by as much as a factor of three, as determined by the aging index and by reducing reactive functionalities, which was also confirmed by NMR spectroscopy and GC analysis. The results support our hypothesis that M‐NPs stabilized in ILs can effectively stabilize POs under mild conditions, which could be applicable to any lignin‐derived phenolic.
Anodic Behavior of the Aluminum Current Collector in Imide‐Based Electrolytes: Influence of Solvent, Operating Temperature, and Native Oxide‐Layer Thickness
Authors: Meister Paul , Qi Xin , Kloepsch Richard , Krämer Elisabeth , Streipert Benjamin , Winter Martin , Placke Tobias
Published: December 2016

The inability of imide salts to form a sufficiently effective passivation layer on aluminum current collectors is one of the main obstacles that limit their broad application in electrochemical energy‐storage systems. However, under certain circumstances, the use of electrolytes with imide electrolyte salts in combination with the aluminum current collector is possible. In this contribution, the stability of the aluminum current collector in electrolytes containing either lithium bis(trifluoromethanesulfonyl) imide (LiTFSI) or lithium fluorosulfonyl‐(trifluoromethanesulfonyl) imide (LiFTFSI) as conductive salt was investigated by electrochemical techniques, that is, cyclic voltammetry (CV) and chronocoulometry (CC) in either room‐temperature ionic liquids or in ethyl methyl sulfone. In particular, the influence of the solvent, operating temperature, and thickness of the native oxide layer of aluminum on the pit formation at the aluminum current collector surface was studied by means of scanning electron microscopy. In general, a more pronounced aluminum dissolution and pit formation was found at elevated temperatures as well as in solvents with a high dielectric constant. An enhanced thickness of the native aluminum oxide layer increases the oxidative stability versus dissolution. Furthermore, we found a different reaction rate depending on dwell time at the upper cut‐off potential for aluminum dissolution in TFSI‐ and FTFSI‐based electrolytes during the CC measurements; the use of LiFTFSI facilitated the dissolution of aluminum compared to LiTFSI. Overall, the mechanism of anodic aluminum dissolution is based on: i) the attack of the Al2O3 surface by acidic species and ii) the dissolution of bare aluminum into the electrolyte, which, in turn, is influenced by the electrolyte's dielectric constant.
A series‐coupled LC quadrature oscillator using phase/amplitude calibration
Authors: Ghonoodi Hojat , Naimi Hossein Miar
Published: December 2016

In this paper, an analytic approach for the estimation of the phase and amplitude error in series coupled LC quadrature oscillator (SC‐QO) is proposed. The analysis results show that imbalances in source voltage of coupling transistor because of mismatches between LC tanks are the main source of the phase and amplitude error in this oscillator. For compensation of the phase and amplitude error, a phase and amplitude‐tunable series coupled quadrature oscillator is designed in this paper. A phase shift generation circuit, designed using an added coupling transistor, can control the coupling transistor source voltage. The phase and amplitude error can simply be controlled and removed by tuning the phase shifter, while this correction does not have undesirable impact on phase noise. In fact, the proposed SC‐QO generates a phase shift in the output current, which reduces the resonator phase shift (RPS) and improves phase noise. The phase and amplitude tunable SC‐QO is able to correct the phase error up to ±12°, while amplitude imbalances are reduced as well. To evaluate the proposed analysis, a 4.5‐GHz CMOS SC‐QO is simulated using the practical 0.18‐μm TSMC CMOS technology with a current consumption of 2 mA at 1.8‐V supply voltage. Copyright © 2016 John Wiley & Sons, Ltd.
Characterizing severe and enduring anorexia nervosa: An empirical approach
Authors: Wildes Jennifer E. , Forbush Kelsie T. , Hagan Kelsey E. , Marcus Marsha D. , Attia Evelyn , Gianini Loren M. , Wu Wei
Published: December 2016

Targeted approaches for the treatment of severe and enduring anorexia nervosa (SE‐AN) have been recommended, but there is no consensus definition of SE‐AN to inform research and clinical practice. This study aimed to take initial steps toward developing an empirically based definition of SE‐AN by characterizing associations among putative indicators of severity and chronicity in eating disorders. Patients with AN (N = 355) completed interviews and questionnaires at treatment admission and discharge; height and weight were assessed to calculate body mass index (BMI). Structural equation mixture modeling was used to test whether associations among potential indicators of SE‐AN (illness duration, treatment history, BMI, binge eating, purging, quality‐of‐life) formed distinct subgroups, a single group with one or more dimensions, or a combination of subgroups and dimensions. A three‐factor (dimensional), two‐profile (categorical) mixture model provided the best fit to the data. Factor 1 included eating disorder behaviors; Factor 2 comprised quality‐of‐life domains; Factor 3 was characterized by illness duration, number of hospitalizations, and admission BMI. Profiles differed on eating disorder behaviors and quality‐of‐life, but not on indicators of chronicity or BMI. Factor scores, but not profile membership, predicted outcome at discharge from treatment. Data suggest that patients with AN can be classified on the basis of eating disorder behaviors and quality‐of‐life, but there was no evidence for a chronic subgroup of AN. Rather, indices of chronicity varied dimensionally within each class. Given that current definitions of SE‐AN rely on illness duration, these findings have implications for research and clinical practice.
An effective placental cotyledons proteins extraction method for 2D gel electrophoresis
Authors: Tan Niu J. , Daim Leona D.J , Jamil Amilia A.M , Mohtarrudin Norhafizah , Thilakavathy Karuppiah
Published: December 2016

Effective protein extraction is essential especially in producing a well‐resolved proteome on 2D gels. A well‐resolved placental cotyledon proteome, with good reproducibility, have allowed researchers to study the proteins underlying the physiology and pathophysiology of pregnancy. The aim of this study is to determine the best protein extraction protocol for the extraction of protein from placental cotyledons tissues for a two‐dimensional gel electrophoresis (2D‐GE). Based on widely used protein extraction strategies, 12 different extraction methodologies were carefully selected, which included one chemical extraction, two mechanical extraction coupled protein precipitations, and nine chemical extraction coupled protein precipitations. Extracted proteins were resolved in a one‐dimensional gel electrophoresis and 2D‐GE; then, it was compared with set criteria: extraction efficacy, protein resolution, reproducibility, and recovery efficiency. Our results revealed that a better profile was obtained by chemical extraction in comparison to mechanical extraction. We further compared chemical extraction coupled protein precipitation methodologies, where the DNase/lithium chloride‐dense sucrose homogenization coupled dichloromethane‐methanol precipitation (DNase/LiCl‐DSH‐D/MPE) method showed good protein extraction efficiency. This, however, was carried out with the best protein resolution and proteome reproducibility on 2D‐gels. DNase/LiCl‐DSH‐D/MPE was efficient in the extraction of proteins from placental cotyledons tissues. In addition, this methodology could hypothetically allow the protein extraction of any tissue that contains highly abundant lipid and glycogen.
Derivatizing assay for the determination of aldehydes using micellar electrokinetic chromatography
Authors: Donegatti Tiago Augusto , Gonçalves Luís Moreira , Pereira Elisabete Alves
Published: December 2016

In this work, the use of a novel derivatization agent for the determination of aldehydes (in this particular case: formaldehyde, acetaldehyde, propionaldehyde, and valeraldehyde) using micellar electrokinetic chromatography is reported. The derivatization reaction is based on the reaction of aldehydes with benzhydrazide to form the corresponding derivates with maximum absorbance at 250 nm. The experimental conditions of the derivatization reaction as well of the separation were optimized. The adducts were separated with a +22 kV voltage at a temperature of 29°C. The adducts’ separation was performed in less than 14 min using as the running buffer a mixture containing 110 mmol/L of sodium dodecyl sulfate and 27 mmol/L of sodium tetraborate at pH 9.45. Samples were injected using hydrodynamic mode (50 mbar × 5 s). The calibration curves were linear up to 15.0 mg/L with r2 above 0.99. Intra and inter‐day precisions were in average 3 and 4%, respectively, and recoveries were in average of 95%. Limits of detection and quantification were around 0.5 and 1.5 mg/L, respectively. The developed method was successfully applied in the analysis of low molar weight aldehydes in yogurt and vinegar samples.
Experimental and Neural Network Modeling of Partial Uptake for a Carbon Dioxide/Methane/Water Ternary Mixture on 13X Zeolite
Authors: Abdul Kareem Firas A. , Shariff Azmi M. , Ullah Sami , Garg Sahil , Dreisbach Frieder , Keong Lau Kok , Mellon Nurhayati
Published: December 2016

In this work, GERG2008 EoS embedded in a volumetric–gravimetric technique was utilized to measure multicomponent partial uptakes into the mixture. The sophisticated combination may overlap recent theoretical measurements and replace it with real‐time and experimental selective adsorption analysis. 13X zeolite was utilized as a solid adsorbent for the adsorption of binary and ternary CO2/CH4/H2O mixtures. Premixed and preloaded water vapor was studied at 323 K temperature and up to 10 bar pressure. The isotherms of individual components within the mixture were identified and compared to the adsorption data of the pure components for assured benchmarking and validation. Artificial neural network (ANN) modeling was used to predict ternary mixtures. The ANN results showed a good agreement with the experimental data. Moreover, simulated configurations by utilizing an ANN model reflected the high consistency. We identified the behavior of the single components in ternary and higher multicomponent mixtures.
Tailoring Electrocatalytic Properties of Solid Oxide Fuel Cell Composite Cathodes Based on (La0.8Sr0.2)0.95MnO3+δ and Doped Cerias Ce1–xLnxO2–δ (Ln=Gd, La, Er, Pr, Tb and x=0.1–0.2)
Authors: Navarrete L. , Balaguer M. , Vert V. B. , Serra J. M.
Published: December 2016

Composites made of different doped cerias and (La0.8Sr0.2)0.95MnO3+δ were studied as potential solid oxide fuel cell cathodes. Tb, Pr, Gd and Er have been introduced as ceria dopants to enhance the electrocatalytic properties of (La0.8Sr0.2)0.95MnO3+δ composites fabricated within. Different electrochemical behaviors were observed for the studied composites depending on lanthanide cation nature, i.e., whether they can exhibit different oxidation states or not. Specifically, (La0.8Sr0.2)0.95MnO3+δ/ceria composites with a mixed valence dopants (Tb and Pr) in the CeO2 structure are the best performing and present a limiting step at low frequencies; whereas those with ceria‐doping elements with fixed oxidation state (Gd and Er) exhibit the limiting processes at higher frequencies. This fact is related to the higher magnitude of the TPB enlargement in the composite cathode achieved thanks to the promotion of mixed ionic‐electronic conductivity in the Pr/Tb‐doped ceria phase. The best cathode performance was obtained with (La0.8Sr0.2)0.95MnO3+δ_Ce0.8Pr0.2O2–δ cathodes with the lowest values for the polarization resistance in the 900–700 °C temperature range.
Successful Cybersecurity Programs for Natural Gas and Electricity Becoming Critical
Authors: Sorebo Gib , Hazelton Kelly
Published: December 2016

Industrial networks are at risk of cyberattacks, and this risk is increasing for industries around the globe.
“I wish my people can be like the ducks”: Children's references to internal states with siblings and friends from early to middle childhood
Authors: Leach Jamie , Howe Nina , DeHart Ganie
Published: December 2016

The present study investigated children's internal state language during play with their sibling and friend across early and middle childhood. Specifically, the category type of internal state language (e.g., cognitions and goals), referent (e.g., own and other), and associations with children's birth order were examined. A total of 65 (T1: Time 1) and 46 (T2: Time 2) children were observed at age 4 and 3 years later when children were aged 7 with their sibling and with their friend in two separate play sessions at home. Videos were transcribed and coded for the frequency and category of internal state language. Children referenced cognitions more often with their sibling than friend at T2. Children's references to shared internal states (e.g., “we”) were more frequent at T2 than T1 across relationship contexts. Time effects were found when the category and referent of internal state language were cross‐tabulated (e.g., references to shared goals plus one's own cognitions were more characteristic at T2 than T1). Birth‐order effects were evident at T1 with younger children referencing goals and cognitions with their sibling more often than older children. Results provide new insight into children's use of internal state language across relationship contexts and developmental periods.

Highlight

The purpose of the present study was to compare children's category type and referent of internal state language across sibling and friend relationships and from early to middle childhood. Results demonstrated that children showed higher rates of cognitive terms at middle childhood, particularly with their sibling, and referred to shared internal states more at middle childhood than early childhood. Findings highlight the importance of considering social context and a longitudinal design when observing children's internal state language during play.
Hollow fiber stir bar sorptive extraction for determination of phthalic acid esters in environmental and biological matrices
Authors: Li Jia , Wang Yan–Bin , Su Qiong , Wu Shang , Wu Lan
Published: December 2016

The purpose of this paper is to introduce a novel hollow fiber stir bar sorptive extraction for collecting and determining of phthalic acid esters in environmental and biological matrices. Shell–core ZrO2/SiO2 composite microspheres and porous C18 silica microspheres were compared as the sorbents, which were loaded in the lumen of a microporous hollow fiber membrane. A thin stainless‐steel wire was also inside of the hollow fiber membrane acting as the magnetic stirrer, thus affording the procedures like stir bar sorptive extraction to perform the active trapping of the analytes. Variables affecting the extraction (salt addition and pH of samples, extraction temperature, and time) and desorption (microwave time and eluted solvents) have been optimized. Under the optimal conditions, good linearity (r > 0.9968) of all calibration curves was obtained in validation experiments. And the limits of quantification ranged from 0.01 to 1000 ng/mL. The recoveries in different matrices were in the range of 64.90–112.60% with relative standard deviations less than 8.60%. The present work demonstrated the applicability of the developed method for the determination of phthalic acid esters in environmental and biological sample, allowing the selective extraction of phthalate esters in complex samples with low consumption of organic solvents and no sample clean‐up.
Oil and gas development influences big‐game hunting in Wyoming
Authors: Dorning Monica A. , Garman Steven L. , Diffendorfer Jay E. , Semmens Darius J. , Hawbaker Todd J. , Bagstad Kenneth J.
Published: December 2016

Development from extracting oil and gas resources can have unintended effects on multiple ecosystem functions, with cascading effects on wildlife, ecosystem services, and local economies. Big‐game hunting opportunities may be closely related to these effects, but empirical analyses of impacts of energy development on hunting are limited. We examined the influence of oil and gas development density on harvest efficiency, or harvest per unit of hunter effort, within all hunt areas in Wyoming, USA, from 2008 to 2014 for 3 big‐game species: elk (Cervus canadensis), mule deer (Odocoileus hemionus), and pronghorn (Antilocapra americana). Using harvest/hunter day as the response variable, we compared linear mixed‐effects models for each species that included total well density (i.e., all wells constructed up to the year of record), active well density (i.e., only those wells currently producing oil or gas in that year), or neither as a predictor variable. We used well densities as indicators of development in the absence of data specifying the locations of other oil and gas infrastructure (e.g., roads, well pads). Models also accounted for the fixed effects of road density, hunter density, proportion of the area that is public land with unrestricted hunter access, proportion of the area that is forested, year of observation, and random effects of variation among hunt areas nested within associated game herd units. Presence of oil and gas wells had a positive influence on harvest efficiency for elk and mule deer. Although there was no overall effect to pronghorn, there was a negative influence of wells on juvenile pronghorn harvest efficiency. Changes in harvest efficiency due to expanding oil and gas development could alter the time spent hunting by hunters and their chances of harvesting an animal. This could have subsequent impacts on hunter satisfaction, game populations, and economic revenue generated from recreational hunters. © 2016 The Wildlife Society.