bluuebunny/crossref_metadata_2025 huggingface dataset:
Copper‐Catalyzed C(sp3)−H/C(sp3)−H Cross‐Dehydrogenative Coupling with Internal Oxidants: Synthesis of 2‐Trifluoromethyl‐Substituted Dihydropyrrol‐2‐ols
Authors: Zhu Chuanle , Zhu Rui , Zeng Hao , Chen Fulin , Liu Chi , Wu Wanqing , Jiang Huanfeng
Published: September 2017

The first oxidative C(sp3)−H/C(sp3)−H cross‐dehydrogenative coupling (CDC) reaction promoted by an internal oxidant is reported. This copper‐catalyzed CDC reaction of oxime acetates and trifluoromethyl ketones provides a simple and efficient approach towards 2‐trifluoromethyldihydropyrrol‐2‐ol derivatives in a highly diastereoselective manner by cascade C(sp3)−C(sp3) bond formation and cyclization. These products were further transformed into various significant and useful trifluoromethylated heterocyclic compounds, such as trifluoromethylated furan, thiophene, pyrrole, dihydropyridazine, and pyridazine derivatives. A trifluoromethylated analogue of an Aβ42 lowering agent was also synthesized smoothly. Preliminary mechanistic studies indicated that this reaction involves a copper(I)/copper(III) catalytic cycle with the oxime acetate acting as an internal oxidant.
Core–shell nanocapsules containing essential oil for textile application
Authors: Liu Cong , Liang Baijun , Wang Yuhai , Li Yingxian , Shi Guang
Published: September 2017

A novel polysiloxane‐modified aromatic nanocapsule with hard core and soft shell has been prepared by two‐stage emulsion polymerization method. The core of the nanocapsule is made up of styrene/methyl methacrylate copolymer, while the shell is poly(butyl acrylate) modified by octamethylcyclotetrasiloxane. Scanning electron microscopy and transmission electron microscope images reveal well‐defined core–shell morphology of the particles, and the average particle size is about 100 nm. Ultraviolet–visible analysis shows that the essential oil can be well encapsulated by the nanocapsules and the encapsulation efficiency and loading capacity are 78.76% and 26.25%, respectively. The residual rate of essential oil is about 25.3% after being washed 15 times, which indicates that the nanocapsules have excellent washing durability. These core–shell aromatic nanocapsules show great potential application in fabrics treatment. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45695.
Linear segmented polyurethanes: I. A kinetics study
Authors: Polo Mara L. , Spontón Marisa E. , Jaramillo Franklin , Estenoz Diana A. , Meira Gregorio R.
Published: September 2017

This work investigates the two‐step polymerization between methylene diphenyl diisocyanate (MDI), two different poly(tetramethylene oxide) macrodiols, and 1,4‐butanediol (BD) as chain extender. At the end of the prepolymerization, the reaction mixture contains MDI in excess and a prepolymer with isocyanate end group. Then, BD and a solvent (tetrahydrofuran) were added to start the finishing stage under nominal stoichiometric equilibrium. The reaction was analyzed by Fourier transform infrared spectroscopy, hydrogen nuclear magnetic resonance (1H‐NMR), and size exclusion chromatography. 1H‐NMR was employed to follow global concentrations of unreacted isocyanate end groups and internal urethane groups. This information enabled to estimate the following “effective” rate constants: k1 = 1.07 × 10−3 L mol−1 s−1 for the prepolymerization; and k2 = 1.94 × 10−4 L mol−1 s−1 for the finishing stage. These values are subject to errors caused by biases introduced in the recipe, in the measurements, in the reaction conditions, in the quality of reagents, and in the reaction mechanism assumptions. Such errors also explain the dispersion of the published rate constants values. The 1H‐NMR measurements also enabled to estimate the evolution (with extent of reaction) of the number‐average number of structural units along the prepolymerization and finishing stages; and such estimates reasonably verify Flory's classical expressions. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45747.
Preparation and properties of magnetic–photoresponsive oil‐absorption resins
Authors: Liu Hongxia , Wang Huanjiang , Jia Weihong , Xu Haiyan , Ren Sili
Published: September 2017

A novel magnetic–photoresponsive oil‐absorption resin (MPOAR) was synthesized via the suspension polymerization technique. Scanning electron microscopy surface morphology analysis indicated that the surface of MPOAR exhibited pore structures with different sizes. The effects of various factors in the preparation of MPOAR on the oil absorbency were studied. We found that the amount of the crosslinking agent 4′4‐bis‐(methacryloylamino)azobenzen (Azo‐CL‐M), porogenic agent (ethyl acetate), initiator (azobisisobutyronitrile), and modified Fe3O4 had great effects on the oil absorbencies of the prepared polymer resins. The saturated absorption capacities of MPOAR for various organic solvents were determined, and we found that MPOAR could absorb 19.7 times its dry weight in CH2Cl2, 18.4 times its dry weight in CCl4, and 16.7 times its dry weight in CHCl3, respectively. In addition, the oil‐absorbent beads could absorb the oils floating on water well. In particular, the saturated absorbed MPOAR could be easily collected from water by an external magnetic field. More importantly, the photoresponsive properties of the MPOAR materials could be used to accelerate the release of the absorbed oil under UV irradiation. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45756.
Optimization of coating solution viscosity of hollow fiber‐supported polydimethylsiloxane membrane for CO2/H2 separation
Authors: Hu Leiqing , Cheng Jun , Li Yannan , Liu Jianzhong , Zhou Junhu , Cen Kefa
Published: September 2017

To optimize the CO2 permeation and CO2/H2 separation performance of hollow fiber‐supported polydimethylsiloxane (PDMS) membranes, the effect of the viscosity of the PDMS coating solution on surface morphologies, thickness of PDMS layer, and solution intrusion into surface pores of hollow fiber supports was investigated. Increases in both stirring time and standing time could increase the viscosity of the PDMS solution. The PDMS layer thickness increased when the coating solution viscosity increased, whereas the surface roughness of the PDMS layer markedly decreased and then slightly changed. Moreover, when the stirring time of the PDMS coating solution was 9 min and the standing time was increased from 2 min to 25 min, the CO2 permeance first decreased, then increased to ∼2250 GPU probably due to the decreased intrusion depth, and finally decreased because of the substantially increased thickness of the PDMS layer. However, the CO2/H2 selectivity increased to 3.4 with an increase in coating solution viscosity. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45765.
Effect of nanocrystalline cellulose addition on needleless alternating current electrospinning and properties of nanofibrous polyacrylonitrile meshes
Authors: Paulett Katherine , Brayer W. Anthony , Hatch Katrina , Kalous Tomáš , Sewell Jerry , Liavitskaya Tatsiana , Vyazovkin Sergey , Liu Fei , Lukáš David , Stanishevsky Andrei
Published: September 2017

Needleless alternating current (AC)‐electrospinning is capable of achieving high nanofiber generation rates while adding more flexibility to the process development when compared to common direct current (DC)‐electrospinning. However, AC‐electrospinning process may produce very different results than DC‐electrospinning when using the same precursors. This study demonstrated that stable AC‐electrospinning of uniform and mechanically strong polyacrylonitrile (PAN) nanofibrous meshes can be achieved at 30 ± 5 kV rms voltage when 0.75–6.0 wt % of nanocrystalline cellulose‐II with respect to PAN is added to a typical PAN precursor solution. Efficient generation (up to 2 g/h rate or 0.7 g h−1 cm−2 mass flux) of nanofibers with 250–500 nm fiber diameters has been observed when using flat fiber‐generating electrodes with diameters up to 25 mm. Depending on the amount of nanocellulose, nanofibrous nanocellulose/PAN meshes revealed large variations in tensile modulus (90–273 MPa) and yield strength (1.0–2.5 MPa), whereas the fiber diameter, air permeability, air resistance, mesh porosity, and water absorption were less affected. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45772.
Preparation and properties of alkaline anion exchange membrane with semi‐interpenetrating polymer networks based on poly(vinylidene fluoride‐co‐hexafluoropropylene)
Authors: Chen Chunming , Chen Bingxin , Hong Redong
Published: September 2017

Alkaline anion exchange membrane with semi‐interpenetrating polymer network (s‐IPN) was constituted based upon quaternized poly(butyl acrylate‐co‐vinylbenzyl chloride) (QPBV) and poly(vinylidene fluoride‐co‐hexafluoropropylene) [P(VDF‐HFP)]. The QPBV was synthesized via the free radical copolymerization, followed by quaternization with N‐methylimidazole. The s‐IPN system was constituted by melting blend of QPBV and P(VDF‐HFP), and then crosslinking of P(VDF‐HFP). Ion exchange capacity, water uptake, mechanical performance, and thermal stability of these membranes were characterized. TEM showed that alkaline anion exchange membrane exhibited s‐IPN morphology with microphase separation. The fabricated s‐IPN membrane exhibited hydroxide ion conductivity up to 15 mS cm−1 at 25 °C and a maximum DMFC power density of 46.55 mW cm−2 at a load current density of 98 mA cm−2 at 30 °C. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45775.
Islamophobia, shame, and the collapse of Muslim identities
Authors: Sadek Noha
Published: September 2017

In this paper, I explore the impact of Islamophobia on contemporary Muslim identities. I examine how Islamophobia and the question of Muslim identities appear in the cultural uses of symbols and media discourses in the West and in the psychoanalysis of a Lebanese‐American woman who identified as a “secular Muslim.” The paper discusses how Islamophobia, through its creation and propagation of Muslim stereotypes, flattens the depth, diversity, and historicity of Muslim identities; it examines, as well, how Muslims internalize these stereotypes. This internalization and the direct experiences with injurious speech, discriminatory acts and hate crimes may lead to shame. Driven by shame, Muslims may sever the tie to their cultural background or idealize their Islamic religion or culture, perceived to be located in the space and time of the “glorious Islamic past,” as in the case of Islamic fundamentalism. While these strategies may protect Muslims from their painful shame, they risk collapsing their identities. I also discuss some of the social defenses employed by Muslim communities facing Islamophobia, which may reinforce the stereotypes they are desperately trying to fight.
PHOBIA OF RELIGION: RELIGION AS ISLAM a political argument and a psychoanalytic inquiry of Islamophobia in India
Authors: Mehdi Zehra
Published: September 2017

When Donald Trump imposed the “Muslim ban” what was surprising was the absence of any pretense to make it political. It wasn't a ban against some countries, it was a ban against Muslim countries or pithily against Muslims. But then what happens when the fear of intrusion underlying “banning” finds its realization in lynching? In the existing discourse on Islamophobia, how do we understand not only the Muslim who isn't allowed to enter but also the Muslim who is quite simply killed for having entered ages ago. In this paper, I share the trajectory of Muslims in India through history, politics, and psychoanalytic theory to present the case of Islamophobia in India. Developing on Edward Said'sOrientalism(1978) and Gil Anidjar's, Secularism (2006), I explain how in the secular nation state of India, the phobia isn't of Islam; rather, it is of religion. The religion is identified as Islam. In this identification, national identity and religious identity are at loggerheads such that Muslims in between are left with an impossibility – they cannot be Indians as long as they are Muslims and they can never not be Muslims. In exploring the incidents of lynching, this paper presents a psycho‐political reading of Muslims in India and their impossibility of being Indian.
Synthesis, Molecular Modeling, and Evaluation of Novel Sulfonylhydrazones as Acetylcholinesterase Inhibitors for Alzheimer's Disease
Authors: Fernandes Thais B. , Cunha Micael R. , Sakata Renata P. , Candido Thalita M. , Baby André R. , Tavares Maurício T. , Barbosa Euzébio G. , Almeida Wanda P. , Parise‐Filho Roberto
Published: September 2017

Alzheimer's disease (AD) is the most common type of dementia and related to the degeneration of hippocampal cholinergic neurons, which dramatically affects cognitive ability. Acetylcholinesterase (AChE) inhibitors are employed as drugs for AD therapy. Three series of sulfonylhydrazone compounds were designed, and their ability to inhibit AChE was evaluated. Fifteen compounds were synthesized and twelve of them had IC50 values of 0.64–51.09 μM. The preliminary structure–activity relationships indicated that the methylcatechol moiety and arylsulfonyl substituents generated better compounds than both the benzodioxole and alkylsulfonyl chains. Molecular dynamics studies of compound 6d showed that the interaction with the peripheral binding site of AChE was similar to donepezil, which may explain its low IC50 (0.64 μM). Furthermore, the drug‐likeness of 6d suggests that the compound may have appropriate oral absorption and brain penetration. Compound 6d also presented antiradical activity and was not cytotoxic to LL24 cells, suggesting that this compound might be considered safe. Our findings indicate that arylsulfonylhydrazones may be a promising scaffold for the design of new drug candidates for the treatment of AD.
New Augmented Lyapunov‐Krasovskii Functional for Stability Analysis of Systems with Additive Time‐Varying Delays
Authors: Ding Liming , He Yong , Wu Min , Wang Qinggou
Published: September 2017

This paper is concerned with stability analysis for continuous‐time systems with additive time‐varying delays in the Lyapunov‐Krasovskii(L‐K) framework. Firstly, in view of the relationships between the upper bounds of the two time‐varying delays, a new augmented L‐K functional is constructed by using the information of the two upper bounds. Secondly, the free‐matrix‐based integral inequality is used to estimate the derivative of the constructed L‐K functional. Thirdly, a less conservative criterion is derived to assess stability. Finally, a numerical example is presented to demonstrate the effectiveness of the criterion.
Pre‐ and Postnatal Development of the Eye: A Species Comparison
Authors: Van Cruchten Steven , Vrolyk Vanessa , Perron Lepage Marie‐France , Baudon Marie , Voute Hélène , Schoofs Sabine , Haruna Julius , Benoit‐Biancamano Marie‐Odile , Ruot Benoît , Allegaert Karel
Published: September 2017

In this review paper, literature data on pre‐ and postnatal eye development are compared between humans and nonclinical species that are commonly used for human safety assessment, namely, mouse, rat, rabbit, dog, minipig, and nonhuman primates. Some new data on rat and minipig ocular development are also included. This compiled information can be helpful for species selection in juvenile toxicity studies or assist in the interpretation of (non)clinical data during pediatric drug development. Despite some differences in developmental windows and anatomical peculiarities, such as the lack of a fovea centralis in nonprimate species or the presence of a nictitating membrane in some nonclinical species, the functioning and development of the eye is strikingly similar between humans and other mammals. As such, all commonly used nonclinical species appear to be relatively good models for human eye development, although some practical constraints such as size may be a limiting factor. Birth Defects Research 109:1540–1567, 2017. © 2017 Wiley Periodicals, Inc.
Police officers' volunteering for (rather than being assigned to) Crisis Intervention Team (CIT) training: Evidence for a beneficial self‐selection effect
Authors: T. Compton Michael , Bakeman Roger , Broussard Beth , D'Orio Barbara , C. Watson Amy
Published: September 2017

Officers' volunteering for Crisis Intervention Team (CIT) training—rather than being assigned—is assumed to be an important, beneficial self‐selection bias. This bias remains poorly characterized, though CIT officers are more likely to be female and to have had exposure to the mental health field. We determined whether or not self‐selection is beneficial with regard to knowledge, attitudes, and skills, as well as level of force used (i.e., no or low force versus any form of physical force) and disposition of subjects, in actual encounters.

We compared CIT‐trained officers who had volunteered with those who had been assigned using data from two prior, linked studies that compared CIT‐trained and non‐CIT officers on knowledge, attitudes, and skills (251 CIT‐trained officers; 68% had volunteered), as well as behaviors (517 actual encounters provided by 91 CIT‐trained officers; 70% had volunteered).

Of 28 scores on knowledge, attitudes, and skills compared, six were statistically significantly different (p < .01) and another eight were marginally significant (.01 < p < .05). Furthermore, although CIT officers who had volunteered were more likely to report use of some form of physical force as we had defined it (which included the use of handcuffs), when they did so they were more likely to refer to treatment services and less likely to make an arrest. These effects were apparent even when taking into account effects of gender, having had exposure to the mental health field, empathy, and other covariates.

In conclusion, we found evidence for benefits of self‐selection/volunteering that should be further characterized, as it appears to be associated with better outcomes with regard to key attitudes, skills, and behaviors.
In vitro study of iron deposition in normal human brains: An Indian Scenario
Authors: Jaggi Shallu , Khandelwal Niranjan , Sahni Daisy , Vasishta Rakesh.K.
Published: September 2017

An increase in brain iron is a normal physiological process during brain development but excess accumulation is a risk factor for various neurodegenerative diseases. Thus, knowledge of the normal range of brain iron content is mandatory. The present study was planned to collect normative data on iron deposition in human brains by in vitro analysis. Iron deposition in basal ganglia was determined by Perl's staining in 31 (18 males, 13 females) nonpathological postmortem brains aged from 18 to 80 years and by inductively coupled plasma mass spectrometry (ICP‐MS) in 13 of them (seven males, six females). After conventional paraffin embedding, 5 µm thick sections were prepared, fixed and stained with freshly prepared Perl's stain along with a control section. For ICP‐MS analysis, approximately 12–13 mg samples of tissue from each region of interest were dried, weighed, and digested with 2 mL of concentrated nitric acid. After digestion, the samples were dissolved in ICP grade water for trace analysis and the iron concentration was determined against standards using an ICP‐MS analyzer and recorded in parts per billion (ppb). Nonheme iron deposits were observed in the globus pallidus in 16.13% of cases with no significant sex difference. Iron was deposited in the perivascular area, predominantly in the tunica media and tunica adventitia. ICP‐MS analysis revealed the highest iron concentration of 595 ppb (0.595 µg/g tissue) in the globus pallidus with no significant gender or age related differences. In conclusion, the present study revealed a low (16%) incidence of brain iron deposition in normal adult postmortem brains. Clin. Anat. 31:275–281, 2018. © 2017 Wiley Periodicals, Inc.
Applied anatomy for tibial intraosseous access in adults
Authors: Polat Onur , Oguz Ahmet Burak , Eneyli Muge Gunalp , Comert Ayhan , Acar Halil Ibrahim , Tuccar Eray
Published: September 2017

Intraosseous access is a method for providing vascular access in resuscitation of critically ill and injured patients when traditional intravenous access is difficult or impossible. There is a lack of detailed description for the landmark for the insertion point in the literature. The aim of this study was to determine the exact location for intraosseous access. Radiographic computed tomography (CT) images of a total of 50 dry tibia bones were obtained. With 5‐mm intervals, for all transverse images and by selecting transverse section, measurements were taken from the thickness of the cortex at anterior margin and mid‐line medial surface, distance from anterior margin, and mid‐line medial surface of the tibia to the posterior wall of medullar cavity, distance from anterior margin and mid‐line medial surface of the tibia to the posterior surface of the tibia. The thinner part of the cortex of the tibia and the larger width of the medullar cavity is at 0.5 cm below the tibial tuberosity in the midline of the medial surface. The application region for proximal tibia access and landmark and most suitable insertion point for intraosseous infusion should be at level 0.5 cm below the tibial tuberosity in the midline of the medial surface. It was recommended that standard length for intraosseous canule should be 17 mm except for the thickness of skin. In conclusion, presented study provides certain localization for intraosseous access and standard length for intraosseous canule and this will be more effective in using this technique. Clin. Anat. 31:593–597, 2018. © 2017 Wiley Periodicals, Inc.
Simultaneous Sodium Hydroxide Production by Membrane Electrolysis and Carbon Dioxide Capture
Authors: Yun Haesung , Kim Young Eun , Lee Wonhee , Youn Min Hye , Jeong Soon Kwan , Park Ki Tae , Lee Ki Bong
Published: September 2017

The simultaneous process of NaOH production via electrolysis of NaCl and CO2 capture was investigated due to the expectation of reduction in capital cost. It was found that seawater concentration of NaCl solution was adaptable to be used as both anolyte and catholyte and that 90 °C was the most proper temperature for NaOH production among the test conditions in this work. Under these electrolyte and temperature conditions, the simultaneous NaOH production and CO2 capture processes were conducted and more than 98.83 % of OH− was reacted with CO2 to yield aqueous carbonate solutions. Additional electrochemical CO2 capture tests were carried out depending on the different CO2 concentration of mixed gases.
Interfacial Phenomena/Capacities Beyond Conversion Reaction Occurring in Nano‐sized Transition‐Metal‐Oxide‐Based Negative Electrodes in Lithium‐Ion Batteries: A Review
Authors: Keppeler Miriam , Srinivasan Madhavi
Published: September 2017

Nano‐sized transition‐metal oxides are of topical interest in current research towards high‐capacity negative electrodes for rechargeable lithium‐ion batteries. Schematically, an interaction with Li+ through a conversion reaction is commonly accepted. However, experimentally observed capacities often significantly exceed the correlating theoretical quantity of transferred charge carriers based on the conversion reaction. The origin of the additional capacity is under intense debate, although the indispensability of interfacial phenomena and material dimensions in the nanometer regime for concrete explanations are widely observed. Scenarios associated with additional capacities are electrode/electrolyte interphases (solid‐electrolyte interphase, polymer/gel‐like film), additional Li+ accommodation through reaction with grain boundary phases in nanostructures, interfacial Li+ accommodation along with charge separation at phase boundaries, or additional Li+ uptake in unique structural architectures with high specific surface areas that often exhibit an extensive hierarchical meso‐ and/or nanoporous system. In addition, interfacial phenomena are strongly related to battery safety, and hence a topic of highest relevance. As the number of related articles has become so intense, this Review article provides an up‐to‐date summary, and a first attempt is made to systematically classify capacity profiles of nano‐sized transition‐metal oxides that exhibit additional capacities beyond the theoretical value based on the concept of conversion reaction.
Self‐Assembled Porous NiFe2O4 Floral Microspheres Inlaid on Ultrathin Flake Graphite as Anode Materials for Lithium Ion Batteries
Authors: Qu Lina , Hou Xianhua , Huang Xiyan , Liang Qian , Ru Qiang , Wu Bo , Lam Kwok‐ho
Published: September 2017

A fairly simple and environmentally friendly hydrothermal method is reported to synthesize anode materials composed of NiFe2O4 (NFO) and ultrathin flake graphite (UFG), which are denoted as NFO/UFG composites. Several experiments were then carried out in order to determine the most beneficial proportion of UFG in the composite. Finally, it was found that the NFO/UFG‐2 composite exhibits the most beneficial morphological structure which is characterized as three‐dimensional floral NFO microspheres assembled by many porous nanosheets anchored on the pedestal of UFG (as determined from SEM and TEM measurements). In addition, the NFO/UFG‐2 composite also demonstrates the best electrochemical performances. It shows a stable long‐term cycling performance with a high initial Coulombic efficiency of 83.4 % and even obtains a high specific capacity of 963.4 mAh g−1 after 300 cycles at a current density of 200 mA g−1 and remarkable reversibility not only at low current densities but also at high current densities. Satisfyingly, the good synergy between porous NFO and UFG significantly enhances the electronic conductivity and relieves the huge bulk expansion of traditional transition metal oxide. This unique electrode material is demonstrated to be a promising candidate for the new‐generation lithium ion batteries.
Spectroscopic Observation and Molecular Dynamics Simulation of Ga Surface Segregation in Liquid Pd–Ga Alloys
Authors: Grabau Mathias , Erhard Jannis , Taccardi Nicola , Calderon Sandra Krick , Wasserscheid Peter , Görling Andreas , Steinrück Hans‐Peter , Papp Christian
Published: September 2017

Liquid binary Pd–Ga alloys with low Pd contents of 0.8, 1.8, and 4.7 at % of Pd were examined as a function of sample temperature in ultra‐high vacuum by using angle‐resolved XPS. Upon cooling from 750 to 400 K, a pronounced temperature‐dependence of the Pd concentration in the liquid phase was observed, which was explained by the transition from the pure liquid phase to a two‐phase system, consisting of a solid Ga5Pd phase and a Pd‐depleted liquid Pd–Ga alloy. In the liquid Pd–Ga alloy, Pd is always depleted from the topmost interface layer, as deduced from angle‐resolved XPS at 0 and 80° emission, independent of temperature and Pd concentration. This observation is interpreted as an inhomogeneous depth distribution function of Pd, that is, the segregation of Ga to the surface of the liquid phase. The results of a DFT‐based molecular dynamics simulation (MD) independently show interfacial stratification of Ga and an inhomogeneous Pd distribution along the surface normal. The evaluation of the experimental data with a rigid layer model based on the MD calculations leads to excellent agreement with the simulation.
An Unsymmetrical Squaraine‐Dye‐Based Chemical Platform for Multiple Analyte Recognition
Authors: Philips Divya S. , Ghosh Samrat , Sudheesh Karivachery V. , Suresh Cherumuttathu H. , Ajayaghosh Ayyappanpillai
Published: September 2017

The design of fluorescent molecular platforms capable of responding to multiple analytes is a topic of great interest. Herein, the use of a Zn2+‐complexed unsymmetrical squaraine dye, Sq–Zn2+, as a chemical platform for recognizing structurally distinct analytes is reported. The squaraine ring is substituted on one side with a dipicolylamine unit, which acts as the metal ion receptor, whereas the other part of the molecule carries a dibutylaniline moiety, which is an electron donor. The molecular system is unique because it can respond specifically to different types of analytes, namely, atmospheric carbon dioxide, cyclic phosphates, and picric acid. Moreover, the interaction of these analytes can be monitored colorimetrically and fluorimetrically, which favors both qualitative and quantitative analyses. The distinct response towards cyclic and linear phosphates, as well as the selective response towards picric acid, among the various nitroaromatic compounds was achieved with sensitivity at the ppm level. The flexible coordination offered by Zn2+ plays a significant role in the discrimination of these analytes with high specificity. Dye Sq–Zn2+ introduced herein is a single‐molecule construct that can be used for the selective and sensitive response towards analytes of environmental and biological relevance.
Mixed Monosilyl Acetals and Catalyst‐Dependent Chemoselective Mukaiyama Aldol Reactions
Authors: Kim Sun Min , Yang Hye Sung , Eum Heesung , Ha Hyun‐Joon , Yang Jung Woon
Published: September 2017

We report a direct, simple, and straightforward approach for the construction of a mixed monosilyl acetal as a new and synthetically valuable functional group by mixing an aldehyde, sodium tert‐butoxide, and trimethylsilyl azide. We also demonstrate a catalyst‐dependent chemoselective reaction between mixed monosilyl acetals and silyl ketene acetals through Mukaiyama aldol reactions to give different structures of O‐protected β‐hydroxy esters in excellent yields with high chemoselectivities. This study provided the existence of an oxonium ion intermediate and of its kinetically controlled reaction with the pre‐equilibrated silyl enol ether obtained from (E)‐ and (Z)‐isomerization.
Modulation of Wetting Gradients by Tuning the Interplay between Surface Structuration and Anisotropic Molecular Layers with Bipolar Electrochemistry
Authors: Bouffier Laurent , Reculusa Stéphane , Ravaine Valérie , Kuhn Alexander
Published: September 2017

The front cover artwork is provided by the NanoSystems for Analytics (NSYSA) research group of the Institute of Molecular Sciences at the University of Bordeaux. The image shows a macroporous gold surface that features an anisotropic molecular layer. Such gradient exhibits a wetting variation generated by reductive desorption of a self‐assembled monolayer by means of bipolar electrochemistry. Read the full text of the article at 10.1002/cphc.201700398.
To‐send‐or‐not‐to‐send: An optimal stopping approach to network coding in multi‐hop wireless networks
Authors: Javan Nastooh Taheri , Sabaei Masoud , Dehghan Mehdi
Published: September 2017

Network coding is all about combining a variety of packets and forwarding as much packets as possible in each transmission operation. The network coding technique improves the throughput efficiency of multi‐hop wireless networks by taking advantage of the broadcast nature of wireless channels. However, there are some scenarios where the coding cannot be exploited due to the stochastic nature of the packet arrival process in the network. In these cases, the coding node faces 2 critical choices: forwarding the packet towards the destination without coding, thereby sacrificing the advantage of network coding, or waiting for a while until a coding opportunity arises for the packets. Current research works have addressed this challenge for the case of a simple and restricted scheme called reverse carpooling where it is assumed that 2 flows with opposite directions arrive at the coding node. In this paper, the issue is explored in a general sense based on the COPE architecture requiring no assumption about flows in multi‐hop wireless networks. In particular, we address this sequential decision making problem by using the solid framework of optimal stopping theory and derive the optimal stopping rule for the coding node to choose the optimal action to take, ie, to wait for more coding opportunity or to stop immediately (and send packet). Our simulation results validate the effectiveness of the derived optimal stopping rule and show that the proposed scheme outperforms existing methods in terms of network throughput and energy consumption.
Template for using biological trait groupings when exploring large‐scale variation in seafloor multifunctionality
Authors: Villnäs Anna , Hewitt Judi , Snickars Martin , Westerbom Mats , Norkko Alf
Published: September 2017

Understanding large‐scale spatial variation in ecosystem properties and associated functionality is key for successful conservation of ecosystems. This study provides a template for how to estimate differences in ecosystem functionality over large spatial scales by using groupings of biological traits. We focus on trait groupings that describe three important benthic ecosystem properties, namely bioturbation, community stability, and juvenile dispersal. Recognizing that groups of traits interact and are constrained within an organism, we statistically define important functional trait subgroups that describe each ecosystem property. The sub‐groups are scored according to their weighted ecological impact to gain an overall estimation of the cumulative expression of each ecosystem property at individual sites. Furthermore, by assigning each property a value relative to its observed maximum, and by summing up the individual property values, we offer an estimate of benthic ecosystem multifunctionality. Based on a spatially extensive benthic data set, we were able to identify coastal areas with high and low potential for the considered benthic ecosystem properties and the measure of ecosystem multifunctionality. Importantly, we show that a large part of the spatial variation in functional trait sub‐groups and in benthic ecosystem multifunctionality was explained by environmental change. Our results indicate that through this simplification it is possible to estimate the functionality of the seafloor. Such information is vital in marine spatial planning efforts striving to balance the utilization with the preservation of natural resources.
Undaria pinnatifida: A case study to highlight challenges in marine invasion ecology and management
Authors: Epstein Graham , Smale Dan A.
Published: September 2017

Marine invasion ecology and management have progressed significantly over the last 30 years although many knowledge gaps and challenges remain. The kelp Undaria pinnatifida, or “Wakame,” has a global non‐native range and is considered one of the world's “worst” invasive species. Since its first recorded introduction in 1971, numerous studies have been conducted on its ecology, invasive characteristics, and impacts, yet a general consensus on the best approach to its management has not yet been reached. Here, we synthesize current understanding of this highly invasive species and adopt Undaria as a case study to highlight challenges in wider marine invasion ecology and management. Invasive species such as Undaria are likely to continue to spread and become conspicuous, prominent components of coastal marine communities. While in many cases, marine invasive species have detectable deleterious impacts on recipient communities, in many others their influence is often limited and location specific. Although not yet conclusive, Undaria may cause some ecological impact, but it does not appear to drive ecosystem change in most invaded regions. Targeted management actions have also had minimal success. Further research is needed before well‐considered, evidence‐based management decisions can be made. However, if Undaria was to become officially unmanaged in parts of its non‐native range, the presence of a highly productive, habitat former with commercial value and a broad ecological niche, could have significant economic and even environmental benefit. How science and policy reacts to the continued invasion of Undaria may influence how similar marine invasive species are handled in the future.
Nutrient limitation of soil microbial processes in tropical forests
Authors: Camenzind Tessa , Hättenschwiler Stephan , Treseder Kathleen K. , Lehmann Anika , Rillig Matthias C.
Published: September 2017

Soil fungi and bacteria are the key players in the transformation and processing of carbon and nutrients in terrestrial ecosystems, yet controls on their abundance and activity are not well understood. Based on stoichiometric principles, soil microbial processes are expected to be limited by mineral nutrients, which are particularly scarce in often highly weathered tropical forest soils. Such limitation is directly relevant for the fate of soil carbon and global element cycles, but its extent and nature have never been assessed systematically across the tropical biome. Here, we address the relative importance of nitrogen, phosphorus, and other nutrients in limiting soil microbial biomass and process rates in tropical forests. We conducted an in‐depth literature review and a meta‐analysis of the available nutrient addition experiments in tropical forests worldwide. Our synthesis showed predominant and general phosphorus limitation of a variety of microbial processes across tropical forests, and additional nitrogen limitation in tropical montane forests. The apparent widespread microbial phosphorus limitation needs to be accounted for in the understanding and prediction of biogeochemical cycles in tropical forests and their future functioning. Other mineral nutrients or carbon may modify the importance of phosphorus, but more experimental studies are urgently needed.
Phytoplankton size‐scaling of net‐energy flux across light and biomass gradients
Authors: Malerba Martino E. , White Craig R. , Marshall Dustin J.
Published: September 2017

Many studies examine how body size mediates energy use, but few investigate how size simultaneously regulates energy acquisition. Furthermore, rarely energy fluxes are examined while accounting for the role of biotic and abiotic factors in which they are nested. These limitations contribute to an incomplete understanding of how size affects the transfer of energy through individuals, populations, and communities. Here we characterized photosynthesis‐irradiance (P‐I) curves and per‐cell net‐energy use for 21 phytoplankton species spanning across four orders of magnitude of size and seven phyla, each measured across six light intensities and four population densities. We then used phylogenetic mixed models to quantify how body size influences the energy turnover rates of a species, and how this changes across environments. Rate‐parameters for the P‐I curve and net‐energy budgets were mostly highly correlated and consistent with an allometric size‐scaling exponent of <1. The energy flux of a cell decreased with population density and increased with light intensity, but the effect of body size remained constant across all combinations of treatment levels (i.e. nointeraction). The negative effect of population density on photosynthesis and respiration is mostly consistent with an active downregulation of metabolic rates following a decrease in per‐cell resource availability, possibly as an adaptive strategy to reduce the minimum requirements of a cell and improve its competitive ability. Also, because an increase in body size corresponds to a less‐than‐proportional increase in net‐energy (i.e. exponent<1), we propose that volume‐specific net‐energy flux can represent an important cost of evolving larger body sizes in autotrophic single‐cell organisms.
Cation‐Directed Isomerization of the U28 Uranyl‐Peroxide Cluster
Authors: Oliveri Anna F. , Colla Christopher A. , Callahan Joseph R. , Bogard Gwendolyn , Qiu Jie , Dembowski Mateusz , Burns Peter C. , Casey William H.
Published: September 2017

The conformational dynamics of nanometer‐sized actinide ions are exceptionally sensitive to the choice of counter‐cations. A new means of following these dynamics in solution is presented that follows 1H NMR signals. The direct bond between hydrogen and phosphorus atoms in the bridging phosphonic groups of the [(UO2)28(O2)20(PHO3)24(H2O)12]32– (U28) cluster allows unparalleled recording of the orientations of these bridges in situ. The µ3‐PHO3 bridges are organized into two supersets of conformers (facing inward vs. outward from the cluster), but each of these supersets additionally have four subsets that can be identified based upon orientations of the lone pairs of electrons in the associated oxygen atoms. The ensemble of these subsets changes over days or weeks depending upon bulk solution chemistry, temperature, and pressure. They also reflect cations trapped within the molecule. The 1H NMR spectra at room temperature indicate that the molecular orientation of this enormous ion tunes itself in response to solution composition, which suggests a strategy for selecting host–guest combinations.
Antioxidant Hydrophobicity and Emulsifier Type Influences the Partitioning of Antioxidants in the Interface Improving Oxidative Stability in O/W Emulsions Rich in n‐3 Fatty Acids
Authors: López‐Martínez Araceli , Rocha‐Uribe Alejandro
Published: September 2017

Emulsions with oils rich in n‐3 long chain fatty acids, undergo rapid oxidation reactions that may have adverse effects. Therefore, protection against oxidation is necessary. The efficacy of antioxidants with different hydrophobicities (gallic acid, GA; propyl gallate, PG; ascorbyl palmitate, AP; and α‐tocopherol, TC) was evaluated in a 79% oil‐in‐water emulsion model rich in n‐3 long chain fatty acids stabilized with either Tween 65 or Tween 80. Antioxidants efficacy was compared to their partitioning in the phases of the emulsion. The order of the antioxidant protection against peroxides and secondary oxidation products was the same as for the antioxidant partitioning in the water‐oil interface: AP > GA > PG > TC. The antioxidant efficacy was influenced by antioxidant (p < 0.001), emulsifier (p < 0.001), and interactions of both factors (p < 0.001). AP was the most active antioxidant, while TC was the least active; it was apparently due to a cut‐off effect because of its poor partitioning in the interface. The correlation analysis indicated a negative dependency between the oxidation and the partitioning of the antioxidants at the interface; “R” values of −0.66 and −0.75 were obtained for the peroxide and p‐anisidine values, respectively. These results showed that the antioxidant activity is determined by the antioxidant partitioning at the interface, the hydrophobicity of the antioxidant, and the emulsifier.

Practical Applications: This study shows that the antioxidant activity is greatly determined by the antioxidant partitioning at the interface, which in turn, depends of molecular properties of both, antioxidant and emulsifier. It is clear that the affinity amongst such molecules is based uporn the amphiphilic properties of both types of molecules. These results seem to support the nonlinear or cut‐off theory, recently proposed.

Hability of antioxidants with different hydrophobicities to protect oil in water (o/w) emulsions of oxidation process is affected by partitioning of antioxidants in the emulsion phases.
Online Monitoring of Polymerizations: Current Status
Authors: Haven Joris J. , Junkers Tanja
Published: September 2017

Polymerizations are challenging to monitor online. Next to spectrometric information, which indicates the composition, progress, and identity of polymers, other characterization methods also need to be employed for paramount monitoring. Information on molecular weight distributions and end group patterns are often indispensable for accurate process (and product) control. An overview of existing characterization methods, which can be used for online monitoring, and eventually for automating, multistep polymerizations, is given.
A Generic Method to Model CO2 Emission Performances of Combined‐Cycle Power Plants for Environmental Unit Commitment
Authors: Rigo‐Mariani Rémy , Ling Keck Voon , Maciejowski Jan M.
Published: September 2017

This paper proposes a generic methodology for combined‐cycle gas turbine modeling. The main objectives are the estimation of the CO2 emissions for specific units and their integration in an environmental power dispatch that considers several plants. First, a design procedure aims at calibrating the model using the information available from the manufactures. Off‐design points are also investigated to estimate the CO2 emissions for the whole operating range of the units. The obtained CO2‐cost results show a good consistency with the emission coefficients found in the literature for that type of units. Then, those CO2 costs are used as input parameters for a unit commitment problem. Mixed‐integer linear programming formulation minimizes the global emissions for a set of different units on Jurong Island in Singapore. The grid‐emission factor obtained for the simulated network displays values close to the registered field data, which validates the developed model. Finally, a tightened formulation for the power‐dispatch problem is introduced. The objective is to reduce the computational time while guaranteeing good performance of the returned solutions.
A Tale of Two Models: Sources of Confusion in Achievement Testing
Authors: Reckase Mark D.
Published: September 2017

A common interpretation of achievement test results is that they provide measures of achievement that are much like other measures we commonly use for height, weight, or the cost of goods. In a limited sense, such interpretations are correct, but some nuances of these interpretations have important implications for the use of achievement test results. This paper will contrast two different theoretical underpinnings for the interpretation of educational assessments results as measurements. One of these theoretical views comes from initial attempts in psychology to measure the amount of a trait that was exhibited by a person. The other theoretical view comes from early work in education to measure how much of a desired curriculum was acquired by students. At times, these views conflict with each other and lead test developers and policy makers to ask for the impossible. After summarizing the two theoretical positions, the areas of conflict will be discussed. Finally, some recommendations will be given for what can be done to clarify the issues and minimize the problems that result from using conflicting theoretical frameworks.
The Case of Taiwan: Perceptions of College Students About the Use of the TOEIC® Tests as a Condition of Graduation
Authors: Hsieh Ching‐Ni
Published: September 2017

This study uses online surveys and phone interviews with Taiwanese college students to investigate their perceptions of using the TOEIC® test scores to meet an English‐language graduation requirement. Results indicate that students have positive views about the use of the TOEIC test scores for graduation and believe that preparing to take the test has a positive impact on their language proficiency and future employment prospects. The TOEIC test scores are also perceived favorably by the participants as having high levels of reliability and validity. The study provides empirical evidence to support the use of the TOEIC test as a high‐stakes test for college exit requirement in Taiwan and has implications for similar test use in other countries