bluuebunny/crossref_metadata_2025 huggingface dataset:
Randomized clinical trial of observational versus antibiotic treatment for a first episode of CT-proven uncomplicated acute diverticulitis
Authors: Daniels L , Ünlü Ç , de Korte N , van Dieren S , Stockmann H B , Vrouenraets B C , Consten E C , van der Hoeven J A , Eijsbouts Q A , Faneyte I F , Bemelman W A , Dijkgraaf M G , Boermeester M A ,   Dutch Diverticular Disease (3D) Collaborative Study Group, Glaap C E M , Croonen A , Cuesta M A , Kuijvenhoven J , Buijsman R , Den Uil S , De Reuver P R , Tuynman J B , Van de Wall B J M , Stam M A W , Roumen R M H , Truin W , Wijn R , Gerhards M F , Kuhlmann K F D , Van der Zaag E S , Biemond J E , Klicks R J , Dhar N , Cense H A , De Groot G H , Pikoulin Y , Van Ramshorst G H , Hoornweg L L , Koet L , Van Geloven A A W , Emous M , Claassen A T P M , Mollink S , Sonneveld D J A , Bouvé L , Diepenhorst G M P , Vles W J , Toorenvliet B R , Lange J F , Mannaerts G H H , Grotenhuis B A , tot Nederveen Cappel R J De Vos , Deerenberg E B , Depla A C T M , Bruin S , Vos X , Scheepers J J G , Boom M J , Boerma D , Van Esser S , Pruim J , Reitsma J B
Published: September 2016

Background

Antibiotics are advised in most guidelines on acute diverticulitis, despite a lack of evidence to support their routine use. This trial compared the effectiveness of a strategy with or without antibiotics for a first episode of uncomplicated acute diverticulitis.

Methods

Patients with CT-proven, primary, left-sided, uncomplicated, acute diverticulitis were included at 22 clinical sites in the Netherlands, and assigned randomly to an observational or antibiotic treatment strategy. The primary endpoint was time to recovery during 6 months of follow-up. Main secondary endpoints were readmission rate, complicated, ongoing and recurrent diverticulitis, sigmoid resection and mortality. Intention-to-treat and per-protocol analyses were done.

Results

A total of 528 patients were included. Median time to recovery was 14 (i.q.r. 6–35) days for the observational and 12 (7–30) days for the antibiotic treatment strategy, with a hazard ratio for recovery of 0·91 (lower limit of 1-sided 95 per cent c.i. 0·78; P = 0·151). No significant differences between the observation and antibiotic treatment groups were found for secondary endpoints: complicated diverticulitis (3·8 versus 2·6 per cent respectively; P = 0·377), ongoing diverticulitis (7·3 versus 4·1 per cent; P = 0·183), recurrent diverticulitis (3·4 versus 3·0 per cent; P = 0·494), sigmoid resection (3·8 versus 2·3 per cent; P = 0·323), readmission (17·6 versus 12·0 per cent; P = 0·148), adverse events (48·5 versus 54·5 per cent; P = 0·221) and mortality (1·1 versus 0·4 per cent; P = 0·432). Hospital stay was significantly shorter in the observation group (2 versus 3 days; P = 0·006). Per-protocol analyses were concordant with the intention-to-treat analyses.

Conclusion

Observational treatment without antibiotics did not prolong recovery and can be considered appropriate in patients with uncomplicated diverticulitis. Registration number: NCT01111253 (http://www.clinicaltrials.gov).
Strained‐Ring Compounds Containing Nitro Groups as Potential Explosive Materials
Authors: Seok Won K.
Published: September 2016

The molecular structures of spiro[2,2]pentane, bicyclo[1,1,1]pentane, and their nitro‐substituted compounds were fully optimized without symmetry constraints at HF/6‐31G* level of theory. A bisected conformation with respect to the ring in the spiro[2,2]pentane and its derivatives is preferred with a C2 symmetric structure. However highly strained bicyclo[1,1,1]pentane and its series of nitro‐substituted compounds show close proximity of nonbonded bridge head carbons. In search for new explosive materials, energetic properties and density were investigated using semi‐empirical PM3 calculations and the modified CBS‐4M level of theory based on molecular geometries. The detonation parameters were also computed using the EXPLO5 software.
‘Many die in the hurricane’: An Interpretative Phenomenological Analysis of Adults with Psychosis and a History of Childhood Physical Abuse
Authors: Rhodes J. E. , Healey L. J.
Published: September 2016

The study aimed to investigate the experience of adults with a diagnosis of psychosis and who have survived childhood physical abuse. We interviewed eight participants and used interpretative phenomenological analysis to generate themes. The main themes were of perceiving an everyday world of aggression and contempt by others, pervasive mistrust, feeling isolated and for some, attacking oneself with hate. Most participants were also able to reflect on what they saw as ‘paranoia’ or ‘voices’. Paranoia was described as a fluctuating compulsive ‘thread’ of meaning, feeling and sometimes a transformation of the self. The paranoia and voices experienced often involved a dread of murderous obliteration. The discussion considers the relevance of altered consciousness, psychotic states of self and the contribution of mutating narrative and meaning. Our findings point to the importance of therapy for interpersonal difficulties and the long‐term effects of trauma. Copyright © 2016 John Wiley & Sons, Ltd.
Becoming Therapeutic Agents: A Grounded Theory of Mothers' Process When Implementing Cognitive Behavioural Therapy at Home with an Anxious Child
Authors: Pishva Rana
Published: September 2016

The premise of parent‐centred programmes for parents of anxious children is to educate and train caregivers in the sustainable implementation of cognitive behaviour therapy (CBT) in the home. The existing operationalization of parent involvement, however, does not address the systemic, parent or child factors that could influence this process. The qualitative approach of grounded theory was employed to examine patterns of action and interaction involved in the complex process of carrying out CBT with one's child in one's home. A grounded theory goes beyond the description of a process, offering an explanatory theory that brings taken‐for‐granted meanings and processes to the surface. The theory that emerged from the analysis suggests that CBT implementation by mothers of anxious children is characterized by the evolution of mothers' perception of their child and mothers' perception of their role as well as a shift from reacting with emotion to responding pragmatically to the child. Changes occur as mothers recognize the crisis, make links between the treatment rationale, child's symptoms and their own parenting strategies, integrate tenets of CBT for anxiety and eventually focus on sustaining therapeutic gains through natural life transitions. The theory widens our understanding of mothers' role, therapeutic engagement, process, and decision‐making. The theory also generates new hypotheses regarding parent involvement in the treatment of paediatric anxiety disorders and proposes novel research avenues that aim to maximize the benefits of parental involvement in the treatment of paediatric anxiety disorders. Copyright © 2016 John Wiley & Sons, Ltd.

Key Practitioner Message

Mothers of anxious youth who take part in parent‐centred programmes experience a shift in their perception of the child and of their role.

Parental strategy after CBT implementation shifts from emotional empathy to cognitive empathy.

Mothers experience significant challenges and require additional support in prevention of relapse and knowledge translation.
Nest covering in plovers: How modifying the visual environment influences egg camouflage
Authors: Troscianko Jolyon , Wilson‐Aggarwal Jared , Spottiswoode Claire N. , Stevens Martin
Published: September 2016

Camouflage is one of the most widespread antipredator defences, and its mechanistic basis has attracted considerable interest in recent years. The effectiveness of camouflage depends on the interaction between an animal's appearance and its background. Concealment can therefore be improved by changes to an animal's own appearance, by behaviorally selecting an optimal background, or by modifying the background to better match the animal's own appearance. Research to date has largely focussed on the first of these mechanisms, whereas there has been little work on the second and almost none on the third. Even though a number of animal species may potentially modify their environment to improve individual‐specific camouflage, this has rarely if ever been quantitatively investigated, or its adaptive value tested. Kittlitz's plovers (Charadrius pecuarius) use material (stones and vegetation) to cover their nests when predators approach, providing concealment that is independent of the inflexible appearance of the adult or eggs, and that can be adjusted to suit the local surrounding background. We used digital imaging and predator vision modeling to investigate the camouflage properties of covered nests, and whether their camouflage affected their survival. The plovers' nest‐covering materials were consistent with a trade‐off between selecting materials that matched the color of the eggs, while resulting in poorer nest pattern and contrast matching to the nest surroundings. Alternatively, the systematic use of materials with high‐contrast and small‐pattern grain sizes could reflect a deliberate disruptive coloration strategy, whereby high‐contrast material breaks up the telltale outline of the clutch. No camouflage variables predicted nest survival. Our study highlights the potential for camouflage to be enhanced by background modification. This provides a flexible system for modifying an animal's conspicuousness, to which the main limitation may be the available materials rather than the animal's appearance.
Biodiversity increases functional and compositional resistance, but decreases resilience in phytoplankton communities
Authors: Baert Jan M. , De Laender Frederik , Sabbe Koen , Janssen Colin R.
Published: September 2016

There is now ample evidence that biodiversity stabilizes aggregated ecosystem functions, such as primary production, in changing environments. In primary producer systems, this stabilizing effect is found to be driven by higher functional resistance (i.e., reduced changes in functions by environmental changes) rather than through higher functional resilience (i.e., rapid recovery following environmental changes) in more diverse systems. The stability of aggregated ecosystem functions directly depends on changes in species composition and by consequence their functional contributions to ecosystem functions. Still, it remains only theoretically explored how biodiversity can stabilize ecosystem functions by affecting compositional stability. Here, we demonstrate how biodiversity effects on compositional stability drive biodiversity effects on functional stability in diatom communities. In a microcosm experiment, we exposed 39 communities of five different levels of species richness (1, 2, 4, 6, and 8 species) to three concentrations of a chemical stressor (0, 25, and 250 μg/L atrazine) for four weeks, after which all communities were transferred to atrazine‐free medium for three more weeks. Biodiversity simultaneously increased, increasing functional and compositional resistance, but decreased functional and compositional resilience. These results confirm the theoretically proposed link between biodiversity effects on functional and compositional stability in primary producer systems, and provide a mechanistic underpinning for observed biodiversity–stability relationships. Finally, we discuss how higher compositional stability can be expected to become increasingly important in stabilizing ecosystem functions under field conditions when multiple environmental stressors fluctuate simultaneously.
Setting the scene for the future: implications of key legal regulations for the development of e‐health interoperability in the EU
Authors: Kautsch Marcin , Lichoń Mateusz , Matuszak Natalia
Published: September 2016

E‐health has experienced a dynamic development across the European Union in the recent years and enjoys support from the European Commission that seeks to achieve interoperability of national healthcare systems in order to facilitate free movement. Differences that can be observed between the member states in legal regulations, cultural approaches and technological solutions may hinder this process. This study compares the legal standing of e‐health in Denmark, Poland, Spain and the UK, along with key legal acts and their implications. The academic literature review along with an analysis of materials found through the desk study research (reports, legal acts, press articles, governmental web pages and so on) was performed in order to identify aspects relevant to e‐health interoperability. The approach to legal regulation of e‐health substantially differs by country. So do the procedures that they have developed regarding the requirement for patient's consent for the processing of their data, their rights to access to the medical data, to change the data, data confidentiality and types of electronic health records. The principles governing the assignment of responsibility for data protection are also different. These legal and technological differences must be reconciled if interoperability of European national e‐health systems is to be achieved. Copyright © 2016 John Wiley & Sons, Ltd.
Thermal oxidation does not fractionate soil organic carbon with differing biological stabilities
Authors: Schiedung Marcus , Don Axel , Wordell‐Dietrich Patrick , Alcántara Viridiana , Kuner Petra , Guggenberger Georg
Published: September 2016

Thermal analysis techniques have been used to differentiate soil organic carbon (SOC) pools with differing thermal stability. A correlation between thermal and biological stability has been indicated in some studies, while others reported inconsistent relationships. Despite these controversial findings and no standardized method, several recently published studies used thermal analysis techniques to determine the biological stability and quality of SOC in mineral soils. This study examined whether thermal oxidation at temperature levels between 200°C and 400°C, combined with evolving gas analysis and isotope ratio mass spectrometry, is capable of identifying SOC pools with differing biological stability in mineral soils. Soil samples from three sites being under Miscanthus (C4‐plant) cultivation for more than 17 years following former agricultural cropland (only C3‐plant) cultivation were used. Due to natural shifts in 13C content, young and labile Miscanthus‐derived SOC could be distinguished from stable and old C3‐plant‐derived SOC. The proportion of Miscanthus‐derived SOC increased significantly with increasing temperatures up to 350°C in bulk soil samples, indicating increasing oxidation of labile and young SOC with increasing temperatures. Use of density fractions to validate the thermally oxidized SOC from bulk soil samples revealed that the thermal oxidation patterns did not reflect the biological stability of SOC. The suggested biologically labile particulate organic carbon (light fraction from density fractionation) was clearly enriched in Miscanthus‐derived young SOC. The thermal oxidation patterns, however, revealed preferential oxidation of these biologically labile fractions not at low temperatures, but rather at higher temperatures. The reverse was found for the biologically stable mineral‐associated density fraction (heavy fraction). Based on different soil types, it was concluded that the thermal stability of SOC between 200°C and 400°C is not a suitable indicator of the biological stability of SOC and, thus, thermal oxidation is not capable of fractionating SOC pools with differing biological stability.
A switched emissive transparent display with controllable per‐pixel opacity
Authors: Smithwick Quinn
Published: September 2016

An emissive transparent display with per‐pixel opacity employs rapid synchronized switching of a transparent display and transparent backlight between content with a scattering luminous backlight and masks with a clear unlit backlight. A 144 fps transparent LCD panel is used in conjunction with a transparent backlight, controllably diffusive smartglass screen, and optional switching background lighting. The display is capable of producing opaque emissive content on a transparent field for novel transparent display and compact spatial augmented reality applications.
Kinematic analysis of pile behavior for improvement of slope stability in fractured and saturated Hoek–Brown rock masses
Authors: Qin C.B. , Chian S.C. , Wang C.Y.
Published: September 2016

Because of a multitude of steep slopes being constructed adjacent to roadways, there is greater concern of landslide occurrence, particularly in instances where poor geomaterials are present. Installation of piles along the slope is one commonly adopted method. This paper presents the assessment of the stability of a rock slope with stabilizing piles based on kinematic analysis. The pile effect is introduced with a resultant lateral force and a moment. Upper bound solutions of the pile's lateral force are derived with a log‐spiral rotational failure mechanism. The slope performance based on the bearing capacity of surcharge loading is also discussed with consideration of pore water pressure. In order to substantiate the derived theoretical solutions, numerical analysis with optimization technique is carried out. Results demonstrate that rock materials with high quality are conducive to ensure slope stability. Reduced lateral force on the pile is produced with lower rock weight, slope height, and surcharge loading. Finally, the safety factor and stability coefficient are discussed to complete the evaluation of the slope stability. Copyright © 2016 John Wiley & Sons, Ltd.
Synergistic effects of pentaerythritol with aluminum hypophosphite in flame retardant ethylene‐vinyl acetate composites
Authors: Zhao Fan , Guo Zhi‐Li , Chen Wan , Tang Long‐Xiang
Published: September 2016

The synergistic effects of pentaerythritol (PER) with aluminum hypophosphite (AHP) in halogen‐free flame retardant EVA/AHP/PER composites have been studied by cone calorimeter test (CCT), limiting oxygen index (LOI), vertical burning test (UL‐94), thermogravimetric analysis (TGA), and scanning electron microscopy (SEM). The data obtained from CCT show that the suitable amount of PER could considerably decrease the HRR and SPR values and prolong the combustion time of the EVA/AHP/PER composites. The results from LOI and UL‐94 show that a suitable amount of PER played synergistic effects on EVA/AHP/PER composites which increased the LOI value. The TGA data reveal that PER increased the char residues of the EVA/AHP/PER composites which made the EVA/AHP/PER composites have better thermal stability. SEM measurement results give positive evidence that the compact charred layers formed when 8 wt% AHP is substituted with PER and rich compact char layers could explain the excellent flame retardance. The mechanical properties results indicate that when AHP is substituted with a suitable amount PER, the tensile strength and elongation at break of EVA/AHP/PER composites can be maintained. POLYM. COMPOS., 39:2299–2306, 2018. © 2016 Society of Plastics Engineers
Optical, electrochemical, and sensing properties of polyfluorenes bearing thiazole or oxazole and triphenylamine in the main chain
Authors: Sarigiannis Yiannis , Spiliopoulos Ioakim K.
Published: September 2016

Polyfluorenes bearing thiazole (PFTH) or oxazole (PFOX) heterocyclic units as well as triphenylamine (TPA) in the main chain were synthesized. The ratio of thiazole or oxazole/TPA in the polymer chain varies from 100/0 to 25/75. The optical properties of polymers depend on thiazole or oxazole contents. Cyclic voltammetry reveals that thiazole or oxazole hinder the oxidation of polymers and only polymers with TPA show reversible oxidation. The Electron Affinities do not practically depend on composition of the polymer chain. The sensing properties of polymers PFTH100 and PFOX100 are investigated toward several cations and anions. Polymers detect two analytes, Fe2+ and Hg2+. PL quenching shows linear response to Fe2+ in wide concentration region 1–800 μΜ. I− anions quench the emission of polymers. Hg2+ turns on the emission of the polymer/I− complex at concentrations as low as 1 μM. Enhancement of polymer/I− emission exhibits linear response to Hg2+ concentration. PFTH100 is able to detect Fe2+ and Hg2+ that coexist in a solution. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017, 55, 243–254
Physicochemical effects of amino‐ or sulfur‐functional groups onto SBA‐15 sol‐gel synthesized mesoporous ceramic material
Authors: Vargas‐Osorio Zulema , Chanes‐Cuevas Osmar Alejandro , Pérez‐Soria Adriana , García‐Hipolito Manuel , Alvarez‐Fregoso Octavio , Alvarez‐Perez Marco Antonio
Published: September 2016

SBA‐15 mesoporous ceramics were synthesized by a sol‐gel method with some modifications and functionalized with ethylenediamine or tetrasulfide groups and using a sequential washing approach of organic solvent mixtures. The effects of the functional groups onto the physicochemical properties were characterized using XRD, TG/DTA, FTIR, N2 adsorption–desorption, TEM, SEM and NMR. These analyses showed that the SBA‐15 ceramic synthesized at low temperature shows a flat two‐dimensional hexagonal symmetry with pore diameters of 7.1 to 7.8 nm. In the meantime, the functionalized ethylenediamine SBA‐15 presented a narrow pore‐size distribution with diameter around 3.5 to 5.7 nm.

A different behavior was observed on the tetrasulfide SBA‐15 showing a decrease in unit‐cell parameter, in pore size (∼ 2.5 nm) and an increase in pore wall size with loss in structural order and at high sulfur concentrations exhibited an amorphous structure. Results indicated that the lattice crystalline structure value of the SBA‐15 increased due to the amino‐functionalization process to a value of 13.48 nm respect to a value of 12.72 nm in SBA‐15 and decreased to 10.12 nm as an effect of the sulfur‐functionalization process, indicative of the effect of the amino and sulfur group into the well‐ordered hexagonal mesoporous structure of SBA‐15 ceramic materials.
Application of Physicochemical and DFT Based Descriptors for QSAR Study of Camptothecin Derivatives
Authors: Hussain Iftikar , Bania Kusum K. , Gour N. K. , Deka Ramesh C.
Published: September 2016

Density functional based reactivity descriptors such as electrophilicity (ω), Fukui functions (
,
), energies of LUMO and next LUMO along with the physicochemical parameters (logP, hydration energy, molar refractivity and surface area) are introduced for QSAR studies of two different sets of camptothecin molecules. A good correlation between the biological activity and the DFT based descriptors is obtained using multiple linear regression analysis. In literature, the importance of the various classic 2D descriptors such as logP, molar refractivity (MR), surface area has been greatly emphasize but in this report we have focused mainly on the importance of the DFT based reactivity descriptors in understanding the behaviors of campothecins. The modeled QSAR equations derived by regression analysis predicted that the camptothecin inhibitory activity is highly correlated with the DFT‐based descriptors such as fukui functions, lowest unoccupied molecular orbital (ELUMO), hydration energy and solvent accessible surface area of the molecules.
Modulating the Catalytic Activity of Gold Nanoparticles through Surface Tailoring
Authors: Satapathy Smithsagar , Mohanta Jagdeep , Si Satyabrata
Published: September 2016

The present work describes the catalytic activity of gold nanoparticles towards the reduction of 4‐nitrophenol and their modulation through surface tailoring using various organic ligands. One step protocol is used to prepare CTAB capped gold nanoparticles of size 15 ± 2 nm and the catalysis reaction using these particles simultaneously follow both zero‐order and first‐order reaction kinetics. The zero‐order rate constant, k0=0.418 mol lit−1 min−1 and first‐order rate constant, k1=0.938 min−1 is achieved just by using 8 nM of gold catalyst. On the other hand citrate capped gold nanoparticles of similar sizes (13 ± 3 nm) follow only the first‐order kinetics with k1=0.243 min−1, which is about four times less compared to CTAB capped gold nanoparticles. Moreover, the reaction kinetics is changed to zero‐order rate with k0=0.345 mol lit−1 min−1 simply by replacing citrate with CTAB on the gold nanoparticles surface. On the other hand, replacing the citrate with PVP on the nanoparticles surface, the reaction rate still follows the first‐order kinetics, but with two‐fold increase in the rate constant with k1=0.587 min−1. Further, silica coating of the CTAB capped gold nanoparticles and their use as catalyst for 4‐nitrphenol reduction exclusively follows the zero‐order kinetics with k0=0.305 mol lit−1 min−1 and are better recyclable upto five cycles without affecting their conversion efficiency.
New Insight into Understand the Enhanced Photoconductivity Properties of Ti (O2) Plate Spurted with Al2O3 for Water Oxidation
Authors: Venkatkarthick Radhakrishnan , Kiruthika Gobichettipalayam Venkataramani Manohar , Davidson Donald Jonas , Ravichandran Subbiah , Sozhan Ganapathy , Vasudevan Subramanyan
Published: September 2016

The development of efficient, economic and environmentally friendly photoanode remains the primary materials challenge in the establishment of a scalable technology for solar water oxidation. Thus, for the simple materials such as Titania (TiO2) and its composites, was prepared by an easy method and studied extensively. High efficiency photoanode materials require properties like light trapping, electron and hole transportation. To provide a more efficient large scale TiO2 coating, we introduce a high throughput methodology wherein Al2O3 was spurted on titanium (Ti) plate. Photocurrents corresponding to water oxidation, under a standard AM 1.5G solar illumination, in a photoelectrochemical cell using Al2O3 spurted TiO2 film as photoanode was investigated and highest photocurrent of 40 μA cm−2 at zero bias vs (Ag/AgCl) was achieved when compared to pure TiO2. The light absorbing capability of the Al2O3 spurted TiO2 photoanode was demonstrated from the UV‐Visible diffuse reflectance spectra and decrease in the band gap of 0.13 eV for the TiO2 film was observed which could be attributed to the improved photocurrents due to the increased charge carriers on the TiO2 film. Increase of charge carrier concentration on the TiO2 film could be effected due to the passivation of surface states upon Al2O3 spurting.
Cholesterol and Dihydrocholesterol are Simple Steroidal Molecular Gelators: How One Double Bond Controls the Structure and Mechanotropic Properties of Their Gels
Authors: Ajay Mallia V. , Samai Suman , Weiss Richard G.
Published: September 2016

It has long been overlooked that cholesterol and dihydrocholesterol, two basic, “parent” steroids, can act as molecular gelators. Here, we report the structure, self‐assembly and mechanotropic properties of molecular gels with these two steroids. The specific characteristics of the gels are found to depend on the presence or absence of a double bond in the B‐ring of the steroid gelators. Polarizing optical micrographs show that the self‐assembled fibrillar networks consist of spherulitic or fibrillar crystalline objects which depend on the liquid and the manner in which the sol is transformed into a gel. Some of the gels are partially thixotropic and others undergo rarely detected gel‐gel phase transitions. Also, the first single crystal structure of dihydrocholesterol is reported. It has a triclinic space group P1 with 4 independent DHC molecules and 2 ethanol molecules (the crystallization solvent) in its unit cell. Overall, the results included here provide information about how much more complex steroids aggregate into fibrillar networks, and they demonstrate that even well‐studied systems can be hiding intriguing untold secrets.
Selective Detection of H2O2 Using para‐Phenylenediamine Capped Ce3+/Tb3+‐Doped NaYF4 Microrods
Authors: Meesaragandla Brahmaiah , Verma Akash , Bheemireddy Varun , Mahalingam Venkataramanan
Published: September 2016

In this work, we have shown the use of Ln3+‐doped nanomaterials for the selective detection of H2O2 upto nM concentration. This is achieved by capping the Ce3+/Tb3+‐doped NaYF4 microrods using para‐phenylenediamine (p‐PDA). The microrods show strong green emission upon UV excitation due to strong energy transfer from Ce3+ to Tb3+ ions. This strong energy transfer is selectively quenched upon addition of H2O2 leading to reduction in the green emission intensity. This selective quenching of the green emission is due to oxidation of p‐PDA to Bandrowski's base which has strong absorption band close to 310 nm, which falls in 4f5d emission level of Ce3+ ions. The proposed mechanism is also supported by TD‐CAM‐DFT calculations performed on p‐PDA and its oxidized product. The reduction in the emission intensity is found to be very selective which is verified by the addition of other analytes (glucose, glutamic acid, uric acid, urea, tryptophan, aspartic acid and some metal ions, Na+, K+, SO42+, and Mg2+) which normally co‐exist with H2O2 in the body. More than 90% of the initial intensity of the Tb3+ was recovered upon the addition of a NaBH4 solution. The study clearly implies that the resonance energy transfer (RET) using Ln3+‐doped microrods can serve as a tool to selectively detect H2O2 upto the nanomolar concentration.
Experimental and Theoretical AIM and NCI Index Study of Substituted Arene Tricarbonyl Complexes of Chromium(0)
Authors: Fukin Georgy K. , Cherkasov Anton V. , Yu. Zarovkina Natalia , Artemov Alexander N.
Published: September 2016

The molecular structure and charge density distribution in the crystals of (η6‐2,3‐phenyl‐1,2‐oxazolidine‐5‐carbonitrile)‐ tricarbonyl‐chromium (1) and (η6‐2‐t‐Butyl‐3‐phenyl‐1,2‐ oxazolidine‐5‐carbonitrile)‐tricarbonyl‐chromium (2) derived from the high‐resolution single crystal X‐ray diffraction data at 100 K is reported together with DFT calculations of these molecules. The noncovalent interaction (NCI) index was tested for evaluation of the hapticity of arene ligands in1and2. In contrast to AIM (the quantum theory of atoms in molecules) bond‐path analysis the NCI index adequately describes electronic aspects of the Cr‐arene interactions. These results are in agreement with analysis data of source function (SF) and delocalization index (DI). Thus the NCI index along with the SF and DI can be applied for investigation of metal‐ligand interactions which are characterized by very flat change of electron density.
Hydrodeoxygenation of Lignin–derived Diaryl Ethers to Aromatics and Alkanes Using Nickel on Zr–doped Niobium Phosphate
Authors: Jin Shaohua , Chen Xiao , Li Chuang , Tsang Chi‐Wing , Lafaye Gwendoline , Liang Changhai
Published: September 2016

4‐O‐5 diaryl ether owns the strongest aryl−aryl ether bond of the abundant Caryl−O bonds in lignin. Selective hydrodeoxygenation (HDO) of diaryl ethers to oxygen‐free aromatics and alkanes has been achieved over nickel nanoparticles supported on Zr‐doped niobium phosphate solid acids in an autoclave under the mild conditions. Py‐IR, NH3‐TPD and TEM techniques were conducted to investigate the surface acidity and metal particle distribution of as‐synthesized catalysts. Nickel on Zr‐doped niobium phosphate exhibited an excellent activity for 84 % conversion of diaryl ether and a better selectivity of oxygen‐free aromatic about 62 % and the total HDO selectivity reached up to 92 % at 220 oC and 0.5 MPa, which is attributed to the favorable synergetic catalytic effect between acid sites and metal sites. In addition, higher reaction temperature favors the production of oxygen‐free aromatics and alkanes and low H2 pressure is benefit for formation of benzene.
Selective Deoxygenation of Pyridine N‐Oxides through Photoredox Catalysis of a Dilacunary Silicotungstate
Authors: Jeong Jinu , Suzuki Kosuke , Hibino Mitsuhiro , Yamaguchi Kazuya , Mizuno Noritaka
Published: September 2016

In this paper, we report a highly selective and widely applicable method for deoxygenation of pyridine N‐oxides using ethanol as the reducing agent through the visible‐light‐responsive photoredox catalysis of a divacant lacunary silicotungstate TBA4H4[γ‐SiW10O36] (I, TBA=tetra‐n‐butylammonium). By irradiation with visible light (λ > 385 nm), the two‐electron and two‐proton transfers from the coordinated ethanol to I efficiently took place. Then, the transiently stored electrons and protons within I could be effectively utilized for the selective deoxygenation of pyridine N‐oxides. Various kinds of structurally diverse pyridine N‐oxides could be converted into the corresponding substituted pyridines in high yields, even in the presence of other reducible functional groups, such as olefinic, chloro, cyano, carbonyl, and amide groups. In addition, I could be readily retrieved after the reaction, and the retrieved I could be reused with keeping its high catalytic performance. The lacunary site of I played an important dual role as the electron transfer site from ethanol to I and the selective electron transfer site from the reduced I to pyridine N‐oxides.
First Stereo Selective Total Synthesis of Antimicrobial Trichoderic acid
Authors: Kumar Nandigama Satish , Kumar Rayala Naveen , Rao L. Chandrasekhara , Meshram Harshadas Mitaram
Published: September 2016

The first stereo selective total synthesis of the antimicrobial sesquiterpene trichoderic acid is reported. The key steps of this synthetic strategy involves (R)‐CBS‐mediated stereoselective keto reduction, Horner–Wadsworth–Emmons (HWE) olefination was employed twice for chain elongation, requisite aldehyde to perform HWE olefination was prepared from commercially available 3‐methylcyclohexenone and intramolecular oxa Michael addition.
Synthesis, Characterization and Reactivity of Iodosylbenzene Nanoparticles as a New Nano–reagent
Authors: Zakavi Saeed , motlagh Reza Jafari
Published: September 2016

Iodosylbenzene (PhIO) and its derivatives are efficient terminal oxidants that have gained considerable attention. However, it suffers from limited solubility in most organic solvents and water. In the present study, the nanoparticles of iodosylbenzene has been synthesized with the aim of enhancing solubility in different solvents and its reactivity in oxidation reactions without any change in its chemical composition. Controlled alkaline hydrolysis of iodobenzene diacetate in the presence of (triethyleneglycol)monomethyl ether as stabilizer produced the nanoparticles. The average radius of the nanostructures determined by dynamic light scattering (DLS) and atomic force microscopy (AFM), was 149 and 71 nm, respectively. Also, the maximum height of nanoparticles measured from AFM images was 16 nm. Furthermore, scanning electron microscopy‐energy dispersive X‐ray analysis (SEM‐EDX) confirmed the formation of non‐spherical iodosylbenzene nanoparticles. The results of 1H and 13C NMR studies in DMSO‐d6 are in accord with the existence of different oligomeric iodosylbenzene particles in solution. This observation was also confirmed by the superimposed FT‐IR spectra of the bulk and nano‐sized products. Non‐catalytic oxidation of 1,5‐naphthalenediol to juglone with the bulk and nano‐sized oxidants, also the oxidation of styrene in the absence and presence of meso‐tetraphenylporphyrinatomanganese(III) acetate, confirmed the increased oxidizing ability of the nano‐sized oxidant.
Simulation and wake analysis of a single vertical axis wind turbine
Authors: Hezaveh Seyed Hossein , Bou‐Zeid Elie , Lohry Mark W. , Martinelli Luigi
Published: September 2016

Because of several design advantages and operational characteristics, particularly in offshore farms, vertical axis wind turbines (VAWTs) are being reconsidered as a complementary technology to horizontal axial turbines. However, considerable gaps remain in our understanding of VAWT performance since cross‐flow rotor configurations have been significantly less studied than axial turbines. This study examines the wakes of VAWTs and how their evolution is influenced by turbine design parameters. An actuator line model is implemented in an atmospheric boundary layer large eddy simulation code, with offline coupling to a high‐resolution blade‐scale unsteady Reynolds‐averaged Navier–Stokes model. The large eddy simulation captures the turbine‐to‐farm scale dynamics, while the unsteady Reynolds‐averaged Navier–Stokes captures the blade‐to‐turbine scale flow. The simulation results are found to be in good agreement with three existing experimental datasets. Subsequently, a parametric study of the flow over an isolated VAWT, carried out by varying solidities, height‐to‐diameter aspect ratios and tip speed ratios, is conducted. The analyses of the wake area and velocity and power deficits yield an improved understanding of the downstream evolution of VAWT wakes, which in turn enables a more informed selection of turbine designs for wind farms. Copyright © 2016 John Wiley & Sons, Ltd.
On the errors involved in ice-thickness estimates I: ground-penetrating radar measurement errors
Authors: LAPAZARAN J.J. , OTERO J. , MARTÍN-ESPAÑOL A. , NAVARRO F.J.
Published: September 2016

This is the first (Paper I) of three companion papers focused respectively, on the estimates of the errors in ice thickness retrieved from pulsed ground-penetrating radar (GPR) data, on how to estimate the errors at the grid points of an ice-thickness DEM, and on how the latter errors, plus the boundary delineation errors, affect the ice-volume estimates. We here present a comprehensive analysis of the various errors involved in the computation of ice thickness from pulsed GPR data, assuming they have been properly migrated. We split the ice-thickness error into independent components that can be estimated separately. We consider, among others, the effects of the errors in radio-wave velocity and timing. A novel aspect is the estimate of the error in thickness due to the uncertainty in horizontal positioning of the GPR measurements, based on the local thickness gradient. Another novel contribution is the estimate of the horizontal positioning error of the GPR measurements due to the velocity of the GPR system while profiling, and the periods of GPS refreshing and GPR triggering. Their effects are particularly important for airborne profiling. We illustrate our methodology through a case study of Werenskioldbreen, Svalbard.
On the errors involved in ice-thickness estimates III: error in volume
Authors: MARTÍN-ESPAÑOL A. , LAPAZARAN J. J. , OTERO J. , NAVARRO F. J.
Published: September 2016

This paper is the third (Paper III) in a set of studies of the errors involved in the estimate of ice thickness and ice volume. Here we present a methodology to estimate the error in the calculation of the volume of an ice mass from an ice-thickness DEM. We consider the two main error sources: the ice-thickness error at each DEM grid point and the uncertainty in the boundary delineation. To accurately estimate the volume error due to the error in thickness of the DEM, it is crucial to determine the degree of correlation among the ice-thickness errors at the grid points. We find that the two-dimensional integral range, which represents the equivalent area of influence of each independent value, allows estimation of the equivalent number of independent values of error within the DEM. Hence, it provides an easy way to obtain the volume error resulting from the uncertainty in ice thickness of a DEM. We show that the volume error arising from the uncertainty in boundary delineation, often neglected in the literature, can be of the same order of magnitude as the volume error resulting from ice-thickness errors. We illustrate our methodology through the case study of Werenskioldbreen, Svalbard.
EDITORIAL FOREWORD
Authors: Khater Akram , Culang Jeffrey
Published: September 2016

This issue centers on two predominant themes: space, boundaries, and belonging from the end of empire to the early nation-state era; and the relationship between political discourse, political praxis, and values. The first section, “Belonging, Boundaries, and Law,” opens with Asher Kaufman's article, “Belonging and Continuity: Israeli Druze and Lebanon, 1982–2000,” on the spatial perceptions and practices of communities in the Middle East under the nation-state. Kaufman observes that only over the past few decades have scholars of the post–World War I order in the region begun to question “the ‘nation-state’ as the natural geographical and political unit of analysis.” Using Druze citizens of Israel before, during, and after Israel's occupation of South Lebanon as his case, he readjusts the lens toward substate, suprastate, and trans-state dynamics. Until the establishment of the State of Israel in 1948, Druze communal and religious networks had spanned the whole of bilād al-shām, but these were radically interrupted by Israel's emergence as a bounded polity whose borders with its neighbors were reputedly sealed. This rupture precipitated the emergence of an Israeli Druze community that, isolated from broader Druze communal life and institutional frames, was expected to be loyal to the new state. Eschewing a national frame, Kaufman reveals how Druze, despite these obstacles, actually maintained “crossborder ties through marriage, licit and illicit trade, and religious practices.” Paradoxically, it was Israel's invasion of Lebanon in 1982 and its eighteen-year occupation of the South that allowed for a resumption of pre-1948 spatial practices, though these were complicated by Israeli Druze's multiple and sometimes conflicting allegiances. Such practices, restricted again after the Israeli withdrawal of 2000, continued in limited fashion until the start of the Syrian Civil War, which has propelled Israeli Druze to organize politically in support of Druze in Syria. Observing that the Druze continue to live in state and suprastate spatial scales, Kaufman proposes “using the concept ‘hybrid spatial scale’ as a tool for studying communities such as the Druze that operate on multiple territorial scales.”
BELONGING AND CONTINUITY: ISRAELI DRUZE AND LEBANON, 1982–2000
Authors: Kaufman Asher
Published: September 2016

This article analyzes spatial perceptions and practices of Druze citizens of Israel before, during, and after the Israeli occupation of South Lebanon in 1982−2000. It argues that the opening of the Israel–Lebanon border in 1982 and its closing in 2000 had three effects: it generated internal social, political, and cultural changes within the community in Israel; it changed the relationship of the Druze with the State of Israel; and it reestablished strong ties with their coreligionists in Lebanon and Syria. Drawing insight from the field of border studies, the article shows how Druze citizens of Israel live concomitantly in state and suprastate spatial scales, forming a third, integrated or hybrid, spatial scale. The article proposes using the concept “hybrid spatial scale” as a tool for studying communities such as the Druze that operate on multiple territorial scales.
THE PROTECTION QUESTION: CENTRAL ASIANS AND EXTRATERRITORIALITY IN THE LATE OTTOMAN EMPIRE
Authors: Can Lâle
Published: September 2016

This article examines the impact of the Ottoman Empire's battle against legal imperialism on the status of Central Asians in its domains, specifically after the promulgation of a nationality law in 1869 that classified them as foreigners. It traces how the threat of Muslim colonial subjects attaining European consular protections led to the emergence of a “Central Asian protection question”: whether Afghans, Bukharans, and Chinese Muslims had legitimate claims to European legal nationality and, by extension, capitulatory privileges. Through a number of case studies, the article shows how the Ottoman Foreign Ministry fused international legal norms and pan-Islamic claims to arrive at the position that Central Asians from informally colonized lands were not “real” subjects of European empires, and that they were under the exclusive protection of the caliphate. This strategy, I argue, undermined the creation of an Ottoman citizenship boundary and opened up a complex field of inter- and intraimperial contestation about who was a foreigner. In contrast to positive associations with legal pluralism in this period, Central Asian migrants and pilgrims who were protected by the caliph but not recognized as Ottomans or European subjects found that they could not benefit from practices such as forum shopping and affiliation switching. And while the notion of foreignness remained subject to multiple and conflicting interpretations across the empire, I argue that nationality as a legal category was incontrovertibly becoming a defining feature of these foreign Muslims' rights and status in the sultan's domains.
WHY AREN'T YOU TRYING HARDER TO CONVERT ME?
Authors: Almog Guy
Published: September 2016

Missionaries that try to convert us can be rather annoying. Missionaries that keep trying to convert us even after we explicitly refuse to be converted are even more vexing. However, in a weird and paradoxical way, they actually deserve much more moral credit than the ‘nice’ religious people who do not try to shove their religion down our throats.
SHOULD YOU GIVE TO BEGGARS? YES, YOU SHOULD
Authors: Christian Richard
Published: September 2016

Should you give to beggars? One argument that you should not is that since there are people who are much worse off than beggars, to give to a beggar is to deny some assistance to those who need it most. You should give instead to the most poor, and in general, you ought in your action to do the most good you can. This argument was defended in a paper published recently in /Think/, and the principle that lies behind it is the basis of a popular movement called ‘effective altruism’. I attack that argument in this paper. Morality does not require of you merely that you do the most good; there is more to it than that.
VIRTUE ETHICS, SEX, AND REALITY TV: IF ARISTOTLE HAD WATCHED SNOOKI
Authors: Manninen Bertha Alvarez
Published: September 2016

Television, like other forms of art and media, functions as a moral educator. In his Nicomachean Ethics, Aristotle places great emphasis on the role of the moral tutor for guiding children in their moral development, and in his Politics and Poetics, he (as did his mentor Plato) argued that the arts importantly functioned as moral tutors. In this paper, I will present an Aristotelian analysis of the effects exposure to highly sexualized media (with an emphasis on television) can have on the character of children and adolescents, who are in vitally formative years when it comes to their sexuality. Particularly, I am concerned that our youth is being habituated into a kind of sexual ethic that is based on treating their sexual partners as mere means and objects to sexual pleasure, rather than as intrinsically valuable persons with whom one can uniquely share sexual experiences.