bluuebunny/crossref_metadata_2025 huggingface dataset:
Las características formales de la ley humana en Juan de Mariana || The formal characteristics of human law in Juan de Mariana
Authors: Centenera Sanchez Seco Fernando
Published: June 2018

RESUMEN: Este trabajo centra la atención en las características formales de la ley humana en el pensamiento de Juan de Mariana. En él se ofrece una presentación general de aquellas, acompañada de algunas circunstancias de la época. A continuación se trata de determinar la intención del autor en sus desarrollos y se analizan sus aportaciones, tanto desde la perspectiva del pensamiento ilustrado como desde el iusfilosófico de nuestro tiempo. Todo ello evidencia puntos de encuentro, pero también diferencias relevantes. El estudio repara además en la aportación de los aspectos considerados en los ámbitos de la limitación al poder y la justicia.
 

ABSTRACT: This article considers the formal characteristics of human law in the thought of Juan de Mariana. After a general introduction to those characteristics, accompanied by some contextual background, an attempt is made to ascertain the author’s intentions as his thought developed and to analyse his particular contribution to the matter through the double optic of enlightenment thought on the one hand, and contemporary jusphilosophy on the other. Some points of connection are found, but also various significant differences. At the same time, the article also gives some thought to the contribution made by the various aspects under consideration in the fields of justice and of the restriction of power.
González Ordovás, Mª José, Esbozo de una teoría imperfecta del Derecho. Reflexiones sobre la cultura jurídica de la globalización, Barcelona: Atelier.2018
Authors: Gracia Ibáñez Jorge
Published: June 2018

Recensión acerca del libro indicado en el título.
Derechos sociales y deuda. Entre capitalismo y economía de mercado. || Social rights and debt. Between capitalism and market economy
Authors: Ballesteros Jesús
Published: June 2018

Resumen: Las finanzas pueden servir a los derechos sociales en una economía de mercado, porque en ella están subordinadas a la economía real, y tienen carácter limitado, pero no en el capitalismo porque en él las finanzas son autorreferenciales, no tienen término, y conducen a una sociedad indefinidamente endeudada, en la que las deudas son impagables. 
 
Abstract: Finance can be useful for social rights in a market economy. This is due to the fact of the subordination of finance to real economy and due to its limited character. In contrast, finance in a capitalist economy is self-referential, are boundless and lead to a society in which debts are unpayable.
Mario Ruiz Sanz. In memoriam.
Authors: García Añón José
Published: June 2018

Mario Ruiz Sanz. In memoriam. 
(Montesa, 27-3-1967- Valencia, 29-4-2018)
Feasibility, acceptability, and adoption of fingerprint scanning during contact investigation for tuberculosis in Kampala, Uganda: A parallel-convergent, mixed-methods analysis
Authors: White Elizabeth B , Meyer Amanda J , Ggita Joseph M , Babirye Diana , Mark David , Ayakaka Irene , Haberer Jessica E , Katamba Achilles , Armstrong-Hough Mari , Davis J. Lucian
Published: June 2018

Background: In resource-constrained settings, challenges with unique patient identification may limit continuity of care, monitoring and evaluation, and data integrity. Biometrics offer an appealing but understudied potential solution.

Methods: We conducted a mixed-methods study to understand feasibility, acceptability, and adoption of digital fingerprinting for patient identification in a study of household TB contact investigation in Kampala, Uganda. We tested associations between demographic, clinical, and temporal characteristics and failure to capture a digital fingerprint. We used generalized estimating equations and a robust covariance estimator to account for clustering. We evaluated clustering of outcomes by household and community health worker by calculating intra-class correlation coefficients. To understand determinants of intended and actual use of fingerprinting technology, we conducted fifteen in-depth interviews with community health workers and applied a widely used conceptual framework, the Technology Acceptance Model 2.

Results: Digital fingerprints were captured in 74% of participants, with extensive clustering by household (ICC = 0.99) arising from hardware (36%) and software (60%) failures. Clinical and demographic characteristics were not significantly associated with fingerprint capture. Community health workers successfully fingerprinted all contacts in 70% of households, with modest clustering of outcomes by CHW (ICC = 0.18). Fingerprinting success at the household level declined over time (Spearman’s rho = 0.30, P < 0.001). In interviews, CHWs reported that fingerprinting non-capture events lowered their own perception of the quality of the technology, threatened their social image, and made the technology more difficult to use.

Conclusions: We found digital fingerprinting to be feasible and acceptable for indvidual identification, but problems implementing the hardware and software led to a high failure rate. Although CHWs found fingerprinting to be acceptable in principle, their intention to use the technology was tempered by perceptions that it was inconsistent and of questionable value. We emphasize the need for routine process evaluation of biometrics and other digital technologies during implementation in resource-constrained settings.
Democratic Participation in Early Childhood Education and Care - Serving the Best Interests of the Child
Authors: Eriksen Evelyn
Published: June 2018

Abstract: The meaning of democratic participation in Early Childhood Education and Care (ECEC) remainsvague and difficult to implement. Thus, the aim of this paper is to contribute to this gap of knowledge by shed light on the meaning of democratic participation in relation to the best interests of the child, by analysing General Comment No. 14 (2013). The research uses theories on democracy in ECEC to discuss the results (Biesta, 2014, 2015; Moss, 2007, 2011; Pettersvold, 2014; Einarsdottir, Purola, Johansson, Broström, &Emilson, 2015). The study investigates how key terms (rights, participation, unity/collective, equality, influence and responsibility) relate to democratic participation. Findings indicate that these terms are used to align with ideas about the “best interests of the child”. Furthermore, the study identified specific groups of children who can be in vulnerable situations and their explicit right to express their views and to influence decisions affecting them in ECEC institutions. I therefore argue that understanding democracy in ECEC must focus on inclusion of children who can be in vulnerable situations because this is in the best interests of the child.
Keywords: Best Interests of the Child, Democratic Participation, Document Analysis, General Comments
Transcriptome profiling by RNA-Seq reveals differentially expressed genes related to fruit development and ripening characteristics in strawberries (Fragaria×ananassa)
Authors: Hu Panpan , Li Gang , Zhao Xia , Zhao Fengli , Li Liangjie , Zhou Houcheng
Published: June 2018

Strawberry (Fragaria × ananassa) is an ideal plant for fruit development and ripening research due to the rapid substantial changes in fruit color, aroma, taste, and softening. To gain deeper insights into the genes that play a central regulatory role in strawberry fruit development and ripening characteristics, transcriptome profiling was performed for the large green fruit, white fruit, turning fruit, and red fruit stages of strawberry. A total of 6,608 differentially expressed genes (DEGs) with 2,643 up-regulated and 3,965 down-regulated genes were identified in the fruit development and ripening process. The DEGs related to fruit flavonoid biosynthesis, starch and sucrose biosynthesis, the citrate cycle, and cell-wall modification enzymes played important roles in the fruit development and ripening process. Particularly, some candidate genes related to the ubiquitin mediated proteolysis pathway and MADS-box were confirmed to be involved in fruit development and ripening according to their possible regulatory functions. A total of fiveubiquitin-conjugating enzymesand 10MADS-box transcription factorswere differentially expressed between the four fruit ripening stages. The expression levels of DEGs relating to color, aroma, taste, and softening of fruit were confirmed by quantitative real-time polymerase chain reaction. Our study provides important insights into the complicated regulatory mechanism underlying the fruit ripening characteristics inFragaria × ananassa.
Nectopsycheof Ecuador: a new species from the high Andean páramo and redescription ofNectopsyche spiloma(Ross) (Trichoptera: Leptoceridae)
Authors: Holzenthal Ralph W. , Rios-Touma Blanca
Published: June 2018

The male and female of a new species of long-horned caddisfly,Nectopsyche paramo, are described from the high Andes of Ecuador. The new species was found above 4,000 m, representing the highest recorded elevation for a species in the genus. The larval stage of the species is also described. Only a total of 13 larvae were collected during a 17-month sampling program and 11 adults, suggesting that the species is rare. Larvae were found mainly in leaf packs. A male and female were observed in a mating swarm ca. 3 m above a stream during late afternoon. In addition, we redescribe the adult male ofNectopsyche spiloma (Ross), previously known from Ecuador from unsubstantiated literature records.
Significance and potential of marine microbial natural bioactive compounds against biofilms/biofouling: necessity for green chemistry
Authors: Adnan Mohd , Alshammari Eyad , Patel Mitesh , Amir Ashraf Syed , Khan Saif , Hadi Sibte
Published: June 2018

Natural products from the unique environments of sea water and oceans represent a largely unfamiliar source for isolation of new microbes, which are potent producers of secondary bioactive metabolites. These unique life-forms from the marine ecosphere have served as an important source of drugs since ancient times and still offer a valuable resource for novel findings by providing remedial treatments. Therefore, it can be expected that many naturally bioactive marine microbial compounds with novel structures and bioactivities against those from terrestrial environments may be found among marine metabolites. Biofilms in aquatic environment possess serious problems to naval forces and oceanic industries around the globe. Current anti-biofilm or anti-biofouling technology is based on the use of toxic substances that can be harmful to their surrounding natural locales. Comprehensive research has been done to examine the bioactive potential of marine microbes. Results are remarkably varied and dynamic, but there is an urgent need for bioactive compounds with environmentally friendly or “green” chemical activities. Marine microbes have the potential as upcoming and promising source of non-toxic compounds with sustainable anti-biofouling/anti-biofilm properties as they can produce substances that can inhibit not only the chemical components required for biofilm production but also the attachment, microorganism growth, and/or cell–cell communication.
A new, three-dimensional geometric morphometric approach to assess egg shape
Authors: Attard Marie R.G. , Sherratt Emma , McDonald Paul , Young Iain , Vidal-García Marta , Wroe Stephen
Published: June 2018

This paper proposes a new methodology to quantify patterns of egg shape variation using geometric morphometrics of three-dimensional landmarks captured on digitally reconstructed eggshells and demonstrates its performance in capturing shape variation at multiple biological levels. This methodology offers unique benefits to complement established linear measurement or two-dimensional (2D) contour profiling techniques by (i) providing a more precise representation of eggshell curvature by accounting for variation across the entire surface of the egg; (ii) avoids the occurrence of correlations from combining multiple egg shape features; (iii) avoids error stemming from projecting a highly-curved three-dimensional (3D) object into 2D space; and (iv) enables integration into 3D workflows such as finite elements analysis. To demonstrate, we quantify patterns of egg shape variation and estimate morphological disparity at multiple biological levels, within and between clutches and among species of four passerine species of different lineages, using volumetric dataset obtained from micro computed tomography. The results indicate that species broadly have differently shaped eggs, but with extensive within-species variation so that all four-focal species occupy a range of shapes. Within-species variation is attributed to between-clutch differences in egg shape; within-clutch variation is surprisingly substantial. Recent comparative analyses that aim to explain shape variation among avian taxa have largely ignored potential biases due to within-species variation, or use methods limited to a narrow range of egg shapes. Through our approach, we suggest that there is appreciable variation in egg shape across clutches and that this variation needs to be accounted for in future research. The approach developed in this study to assess variation in shape is freely accessible and can be applied to any spherical-to-conical shaped object, including eggs of non-avian dinosaurs and reptiles through to other extant taxa such as poultry.
Influence of residents’ cognition of their local environment on evacuation behavior from tsunamis: A case study of Onjuku, Chiba prefecture
Authors: Isagawa Teruyuki , Ohno Ryuzo
Published: June 2018

This paper focuses on the effects of residents’ cognition of their local environment on evacuation behavior in the event of a tsunami. We conducted questionnaire surveys and a sketch map survey in the coastal area of Onjuku, Chiba Prefecture. The results revealed the following: (i) evacuation implementation was influenced by cognition of the terrain around their home (the elevation from sea level and/or the distance from the sea) although it was not always correct; (ii) although reasons for choosing evacuation place were different from place to place, main reasons were the location (proximity and ground height) and the sense of safety; and (iii) some improper evacuation route choices (approached the sea, crossed rivers or decreased in elevation) were caused by “distorted” cognitive maps. These results suggest that understanding residents’ cognition is important in developing effective mitigation measures against tsunamis. The tsunami evacuation planning should include informing residents of the actual structure of the town and the appropriate direction for evacuation.
Recommendation of fiducial marker implantation for better target tracking using MV imager in prostate radiotherapy
Authors: Ma Tianjun , Kilian‐Meneghin Joshua , Kumaraswamy Lalith K.
Published: June 2018

Purpose

The aim of this study was to develop a model that optimizes the fiducial marker locations in the prostate to increase detectability of the markers in the projected EPID images during VMAT treatments.

Methods and Materials

The fiducial marker tracking capability for each arc was evaluated through a proposed formula. The output of the formula, a detectability score, was calculated with the in‐house developed software written in MATLAB (The Mathworks, Inc., Natick, MA, USA). Three unique weighting factors were added to penalize the detectability score. The detectability scores of four different patterns containing 40 combinations of simulated fiducial marker locations were evaluated with 101 previously treated prostate treatment plans (containing 202 individual arcs). The results were analyzed for each pattern group and each marker separation distance on the transverse plane.

Results

The maximum detectability of the markers occurred when they were placed between 10 and 15 mm from the center of the prostate in the transverse plane and 6–13 mm in the superior–inferior direction. The detectability decreased when the markers were placed beyond 20 mm in both directions.

Conclusions

The fiducial marker‐based detectability score can be used to predict the real‐time tracking capability. Suggestions for optimal insertion locations were given to improve prostate motion management using MV imaging.
Narrative skill and testimonial accuracy in typically developing children and those with intellectual disabilities
Authors: Brown Deirdre A. , Brown Emma‐Jayne , Lewis Charlie N. , Lamb Michael E.
Published: June 2018

Children must describe maltreatment coherently for their testimony to be influential in court. We know little about how well children with intellectual disabilities (CWID) describe their experiences relative to typically developing (TD) children, despite CWID's vulnerability to maltreatment. We investigated children's reports of an experienced event and compared coherence in CWID (mild to moderate impairment: 7–11 years) with TD children matched for mental (4–10 years) or chronological age (7–11 years). All children included important markers of narrative coherence in their reports. Children with lower mental ages, particularly those with an intellectual disability, included fewer markers of narrative coherence in their reports than children with higher mental ages. Individual markers of narrative coherence, particularly recall of content, predicted accuracy of testimony and resistance to suggestion even when disability and mental age were taken into account. These findings highlight the importance of helping children to describe their experiences coherently.
Dark‐Field Sensors based on Organometallic Halide Perovskite Microlasers
Authors: Wang Kaiyang , Li Gang , Wang Shuai , Liu Shuai , Sun Wenzhao , Huang Can , Wang Yujie , Song Qinghai , Xiao Shumin
Published: June 2018

The detection of nanoscale objects is essential for homeland security, environmental monitoring, and early‐stage diagnostics. In the past few years, optical sensors have mostly been developed with passive devices such as microcavity and plasmonic nanostructures, which require external laser sources to operate and significantly increase the costs and bulks of sensing systems. To date, the potential of their active counterparts in optical sensors has not been well explored. Herein, a novel and robust mechanism to detect nanoscale objects with lead halide perovskite microlasers is demonstrated. Nanoparticles can be simply detected and sized by measuring the intensity of scattered laser light. In principle, the proposed concept is also applicable to electrically driven microlasers and it could find applications in portable point‐of‐care devices.
Exceptionally Ductile and Tough Biomimetic Artificial Nacre with Gas Barrier Function
Authors: Eckert Alexander , Rudolph Tobias , Guo Jiaqi , Mang Thomas , Walther Andreas
Published: June 2018

Synthetic mimics of natural high‐performance structural materials have shown great and partly unforeseen opportunities for the design of multifunctional materials. For nacre‐mimetic nanocomposites, it has remained extraordinarily challenging to make ductile materials with high stretchability at high fractions of reinforcements, which is however of crucial importance for flexible barrier materials. Here, highly ductile and tough nacre‐mimetic nanocomposites are presented, by implementing weak, but many hydrogen bonds in a ternary nacre‐mimetic system consisting of two polymers (poly(vinyl amine) and poly(vinyl alcohol)) and natural nanoclay (montmorillonite) to provide efficient energy dissipation and slippage at high nanoclay content (50 wt%). Tailored interactions enable exceptional combinations of ductility (close to 50% strain) and toughness (up to 27.5 MJ m−3). Extensive stress whitening, a clear sign of high internal dynamics at high internal cohesion, can be observed during mechanical deformation, and the materials can be folded like paper into origami planes without fracture. Overall, the new levels of ductility and toughness are unprecedented in highly reinforced bioinspired nanocomposites and are of critical importance to future applications, e.g., as barrier materials needed for encapsulation and as a printing substrate for flexible organic electronics.
Low‐Coordinated Titanium(III) Alkyl—Molecular and Surface—Complexes: Detailed Structure from Advanced EPR Spectroscopy
Authors: Allouche Florian , Klose Daniel , Gordon Christopher P. , Ashuiev Anton , Wörle Michael , Kalendra Vidmantas , Mougel Victor , Copéret Christophe , Jeschke Gunnar
Published: June 2018

The structure of paramagnetic surface species is notoriously difficult to determine. For TiIII centers related to Ziegler–Natta catalysis, we demonstrate here that detailed structural information can be obtained by advanced EPR spectroscopy and DFT computations, benchmarked on molecular analogs. The hyperfine sublevel correlation (HYSCORE) spectra obtained after reaction with 13C‐labeled ethylene provides information about the coupling with a proton in the first coordination sphere of TiIII as well as significant 13C hyperfine coupling and thereby allows structural assignment of the surface species.
Copper(II) and Sodium(I) Complexes based on 3,7‐Diacetyl‐1,3,7‐triaza‐5‐phosphabicyclo[3.3.1]nonane‐5‐oxide: Synthesis, Characterization, and Catalytic Activity
Authors: Mahmoud Abdallah G. , Guedes da Silva M. Fátima C. , Śliwa Ewelina I. , Smoleński Piotr , Kuznetsov Maxim L. , Pombeiro Armando J. L.
Published: June 2018

The reaction of 3,7‐diacetyl‐1,3,7‐triaza‐5‐phosphabicyclo[3.3.1]nonane (DAPTA) with metal salts of CuII or NaI/NiII under mild conditions led to the oxidized phosphane derivative 3,7‐diacetyl‐1,3,7‐triaza‐5‐phosphabicyclo[3.3.1]nonane‐5‐oxide (DAPTA=O) and to the first examples of metal complexes based on the DAPTA=O ligand, that is, [CuII(μ‐CH3COO)2(κO‐DAPTA=O)]2 (1) and [Na(1κOO′;2κO‐DAPTA=O)(MeOH)]2(BPh4)2 (2). The catalytic activity of 1 was tested in the Henry reaction and for the aerobic 2,2,6,6‐tetramethylpiperidin‐1‐oxyl (TEMPO)‐mediated oxidation of benzyl alcohol. Compound 1 was also evaluated as a model system for the catechol oxidase enzyme by using 3,5‐di‐tert‐butylcatechol as the substrate. The kinetic data fitted the Michaelis–Menten equation and enabled the obtainment of a rate constant for the catalytic reaction; this rate constant is among the highest obtained for this substrate with the use of dinuclear CuII complexes. DFT calculations discarded a bridging mode binding type of the substrate and suggested a mixed‐valence CuII/CuI complex intermediate, in which the spin electron density is mostly concentrated at one of the Cu atoms and at the organic ligand.
Analysis of terizidone in plasma using HPLC‐UV method and its application in a pharmacokinetic study of patients with drug‐resistant tuberculosis
Authors: Mulubwa Mwila , Mugabo Pierre
Published: June 2018

A chromatographic method has been developed and validated for the first time for analysis of terizidone in plasma. Terizidone was extracted from plasma by protein precipitation using a mixture of acetonitrile and methanol (1:1, v/v). The chromatographic separation was achieved with a gradient of acetonitrile and water both containing 0.1% formic acid on a Supelco Discovery® HS C18 (150 × 4.6 mm, 5 μm) reversed‐phase column. Propranolol was used as the internal standard. The total run‐time was 18 min. The calibration standard concentrations ranged between 3.125 and 200 μg/mL and calibration curves were linear with coefficient of determination values in the range of 0.9988–0.9999. The inter‐ and intra‐day assay precision (percentage relative standard error) was <15% while mean accuracy was 107%. The mean extraction efficiencies of terizidone and IS were 76 and 89%, respectively. The validation results demonstrated that the method was selective and sensitive, and that terizidone was stable under the studied conditions. The method was successfully applied in a population pharmacokinetic study. The mean plasma concentration of terizidone in patients at all sampling time points was 51.8 ± 28 μg/mL. The method was simple, cheap and hence suitable for therapeutic drug monitoring of terizidone.
Highly Efficient Cell‐Penetrating Probes of Protein Arginine Deiminases for Functional Proteomics
Authors: Kumar Sanjai
Published: June 2018

Protein arginine deiminases (PADs) have recently emerged at the forefront of drug‐discovery programs for several human disorders. Despite this, a precise understanding of their functional roles in human biology remains to be fully elucidated. This report highlights a recent development of next‐generation activity‐based PAD probes that are highly efficient, cell active, and metabolically stable. This discovery should rapidly expedite functional assignments of PAD biology in both normal and diseased cells, thereby leading to the development of PAD‐targeted therapeutics in the near future.
Characterization and Reshaping of a Large and Hydrophobic Nucleophile Pocket in Lipases/Acyltransferases
Authors: Jan Deniau Anne‐Hélène , Subileau Maeva , Dubreucq Eric
Published: June 2018

Lipases/acyltransferases, such as CpLIP2 from Candida parapsilosis and CduLAc from Candida dubliniensis, catalyze acyl transfer preferentially over hydrolysis if a suitable nucleophile is present, even in a medium with a high thermodynamic activity of water (aW). These enzymes are related to CAL‐A from Moesziomyces antarcticus, which, in comparison, displays a lower acyl transfer ability. The 3D structures of wild types and mutants of CAL‐A, CpLIP2, and CduLAc revealed differences in size and hydrophobicity of a large pocket located under the catalytic triad. The kinetic behavior of site‐directed mutants confirmed the role of this pocket in competition between methanol and water as the nucleophile acceptor for the deacylation step. The mutations provided a better understanding of key structural determinants for variable levels of acyltransferase ability observed and supported the existence of a complex network of nucleophile interactions within the enzymes. The shape and size of the possible nucleophile pocket identified also suggested that multiple binding sites could exist, which supported the hypothesis of non‐overlapping leaving and accepting nucleophile binding sites.
A Split‐Intein‐Based Method for the Efficient Production of Circularized Nanodiscs for Structural Studies of Membrane Proteins
Authors: Miehling Jonas , Goricanec David , Hagn Franz
Published: June 2018

Phospholipid nanodiscs are a native‐like membrane mimetic that is suitable for structural studies of membrane proteins. Although nanodiscs of different sizes exist for various structural applications, their thermal and long‐term stability can vary considerably. Covalently circularized nanodiscs are a perfect tool to overcome these limitations. Existing methods for the production of circularized nanodiscs can be time‐consuming and technically demanding. Therefore, an easy in vivo approach, in which circularized membrane scaffold proteins (MSPs) can be directly obtained from Escherichia coli culture, is reported herein. Nostoc punctiforme DnaE split‐intein fusions with MSPs of various lengths are used and consistently provide circularized nanodiscs in high yields. With this approach, a large variety of circularized nanodiscs, ranging from 7 to 26 nm in diameter, that are suitable for NMR spectroscopy and electron microscopy (EM) applications can be prepared. These nanodiscs are superior to those of the corresponding linear versions in terms of stability and size homogeneity, which affects the quality of NMR spectroscopy data and EM experiments. Due to their long‐term stability and homogeneity, the presented small circular nanodiscs are suited for high‐resolution NMR spectroscopy studies, as demonstrated with two membrane proteins of 17 or 32 kDa in size. The presented method will provide easy access to circularized nanodiscs for structural studies of membrane proteins and for applications in which a defined and stable nanodisc size is required.
Dynamic Motion of Organic Ligands in Polar Layered Cobalt Phosphonates
Authors: Cai Zhong‐Sheng , Hoshino Norihisa , Bao Song‐Song , Jia Jiage , Akutagawa Tomoyuki , Zheng Li‐Min
Published: June 2018

By introducing the polar methoxy group into phenyl‐ or benzyl‐phosphonate ligands, four cobalt phosphonates with layered structures are obtained, namely, [Co(4‐mopp)(H2O)] (1), [Co(4‐mobp)(H2O)] (2), [Co(3‐mopp)(H2O)] (3), and [Co(3‐mobp)(H2O)] (4), where 4‐ or 3‐moppH2 is (4‐ or 3‐methoxyphenyl)phosphonic acid and 4‐ or 3‐mobpH2 is (4‐ or 3‐methoxybenzyl)phosphonic acid. Compounds 1, 2, and 4 crystallize in the polar space groups Pmn21 or Pna21, whereas compound 3 crystallizes in the centrosymmetric space group P21/n. The layer topologies in the four structures are similar and can be viewed as perovskite type, where the edge‐sharing [Co4O4] rhombi are capped by the PO3C groups. The phenyl and MeO groups in compounds 1–3 are heavily disordered, whereas that in 4 is ordered. Structural comparison based on the data at 296 and 123 K reveals distinct dynamic motion of the organic groups in compounds 1 and 2. The fluctuation of the polar MeO groups in these two compounds is confirmed by dielectric relaxation measurements. In contrast, the fluctuation of polar groups in compounds 3 and 4 is not evident. Interestingly, the dehydrated samples of 3 and 4 (i.e., 3‐de and 4‐de) exhibit one‐step and two‐step phase transitions associated with the motion of polar organic groups, as proven by DSC and dielectric measurements. The magnetic properties of compounds 1–4 are investigated, and strong antiferromagnetic interactions are found to mediate between the magnetic centers through μ‐O(P) and O‐P‐O bridges.
Charge‐ and Size‐Complementary Multimetal‐Induced Morphology and Phase Control in Zeolite‐Type Metal Chalcogenides
Authors: Chen Xitong , Bu Xianhui , Wang Yuan , Lin Qipu , Feng Pingyun
Published: June 2018

Zeolite‐type chalcogenides are desirable due to their integration between porosity and semiconductivity. CPM‐120, with super‐sodalite topology (Zeolite Structure Code: RWY), is among the few zeolite‐type chalcogenides with permanent porosity, and is the only chalcogenide with a zeolite code. Importantly, the RWY‐type has evolved into a platform for studying properties of porous chalcogenides. Yet so far, few studies have been made to probe the effects of synthetic parameters and framework compositions on this platform. Here, we probe the effects of the third metal type (Ga3+, In3+, Cd2+, and Sn4+) on the Zn2+/Ge4+/S2− platform. We find that charge‐complementary and size‐compatible Ga3+ leads to the synthesis of CPM‐120‐ZnGaGeS which is the first trimetallic zeolite‐type chalcogenide, with improved crystal morphology and reproducibility. We also find that charge‐compatible and size‐complementary cations (Cd2+ or Sn4+) can induce an abrupt phase transition from super‐sodalite to super‐diamond, also with unprecedented trimetallic T2 clusters. For In3+, which is dual‐complementary (charge and size), a gradual phase transition is observed with increasing In3+ amount. Furthermore, by controlling the cluster composition, tunable band gaps can be realized. These materials show promising properties such as high CO2 uptake (4.32 mmol cm−3, 298 K, 1 bar) and high photocatalytic activity.
Ultrafine FeCu Alloy Nanoparticles Magnetically Immobilized in Amine‐Rich Silica Spheres for Dehalogenation‐Proof Hydrogenation of Nitroarenes
Authors: Bao Hongjie , Li Yunong , Liu Lei , Ai Yongjian , Zhou Junjie , Qi Li , Jiang Ruihang , Hu Zenan , Wang Jingting , Sun Hongbin , Liang Qionglin
Published: June 2018

A novel core–shell structured nanocatalyst (Fe3O4@SiO2‐NH2‐FeCu nanoparticles) with ultrafine FeCu alloy NPs magnetically immobilized in porous silica has been fabricated. The obtained catalyst revealed excellent activity and chemoselectivity for catalyzing the hydrogenation of nitroarenes to corresponding anilines using hydrazine hydrate as the hydrogen source, and the reaction could be carried out smoothly in water, which is an environmentally friendly solvent. The FeCu alloy effectively prevented the dehalogenation of halonitroarenes, and X‐ray photoelectron spectroscopy (XPS) study showed that it resulted from the electron‐enrichment of Fe from Cu. A kinetics study indicated that the reaction order was about 1.5 towards 4‐CNB and the apparent active energy (Ea) was 48.1 kJ mol−1, which is a relatively low value. Furthermore, the FeCu NPs are magnetically immobilized in the silica spheres (Fe3O4@SiO2), therefore the catalyst can be easily recovered by use of an external magnet and also possesses a long life time.
Absorption Spectroscopy and Photophysics of a ReI‐dppz Probe for DNA‐Mediated Charge Transport
Authors: Fumanal Maria , Vela Sergi , Gattuso Hugo , Monari Antonio , Daniel Chantal
Published: June 2018

Optical properties of [Re(CO)3(dppz)(py)]+ (dppz=dipyrido[3,2‐a:2′,3′‐c]phenazine; py=pyridine) in acetonitrile, water and DNA have been investigated based on DFT, time‐dependent‐DFT (TD‐DFT)/ conductor‐like screening model, with and without explicit solvent molecules, and molecular dynamics. Whereas implicit solvent model is not appropriate to model optical properties of dppz‐substituted metal complexes, adding explicit solvent molecules in interaction with dppz stabilizes the metal‐to‐ligand‐charge‐transfer (MLCT) transitions. Classical molecular dynamics simulations point to an important conformational flexibility, as evidenced by the coexistence of two conformers A and B. When considering the conformational sampling, the lowest band of the absorption spectrum is red‐shifted and broadened up to 500 nm in agreement with the experimental spectra supporting important dynamical effects. The absorption spectra of [Re(CO)3(dppz)(py‐R)]+/GC‐DNA and [Re(CO)3(dppz)(py‐R)]+/AT‐DNA (R=CH2‐CH2‐COO−) intercalated in both major or minor grooves exhibit a lowest energy charge separated (CS) band at about 600 nm and 500 nm, respectively, corresponding mainly to excitations from guanine and adenine to dppz. These states may play a central role into DNA‐mediated charge transport processes. The over stabilization of the lowest 3ILdppz state of [Re(CO)3(dppz)(py)]+ in water as compared to acetonitrile could be responsible for the quenching of emission in water.
Advances in Native Chemical Ligation–Desulfurization: A Powerful Strategy for Peptide and Protein Synthesis
Authors: Jin Kang , Li Xuechen
Published: June 2018

Cysteine‐based native chemical ligation (NCL) has been a very powerful approach for convergent synthesis of peptides and proteins. However, owing to the low abundance of cysteine (Cys) in proteins, applications of NCL in protein chemical synthesis are limited. To expand the peptide ligation toolbox, NCL followed by desulfurization has been developed to enable peptide ligation at Xaa‐Ala conjunctions, that is, formal “alanine ligation”. In this regard, effective peptide desulfurization methods are critical. This Concept article summarizes the development of different desulfurization strategies for peptide and protein chemical synthesis.
Azaacenes Bearing Five‐Membered Rings
Authors: Ganschow Michael , Koser Silke , Hodecker Manuel , Rominger Frank , Freudenberg Jan , Dreuw Andreas , Bunz Uwe H. F.
Published: June 2018

We report the synthesis of processible (dihydro)pyracyclene‐ and acenaphthylene‐substituted azaacenes using condensation reactions in solution. The targets are characterized via cyclic voltammetry, X‐ray crystallography, UV/Vis, fluorescence spectroscopy and DFT/NICS calculations. Formal hydrogenation of the annulated five‐membered ring surprisingly alters emission in the solid‐state as a consequence of modulation of aromaticity and HOMO–LUMO overlap. Five highly fluorescent, crystalline azaacenes were investigated as emitters in organic light‐emitting diodes, and their performance with respect to luminance and efficiency was compared to that of structurally related azaacenes.
Comparative Bioavailability of Sildenafil 50‐mg Film‐Coated Tablets and 50‐mg Orally Disintegrating Films in Healthy Mexican Subjects: Results From a Randomized, Open‐Label, Crossover Study
Authors: Aguirre Luis García , Olmedo Isabel Ruiz , Nolasco Araceli Medina , Romo Yamanqui Ibáñez , Reyes Liz Medina , Hernández Dolores Adriana Aguilera , Vargas Ana Laura Rojas
Published: June 2018

An orally disintegrating film formulation of sildenafil 50 mg (CL Pharm Co, Ltd) was used in this study and compared to the market‐available product film coated tablets (Viagra®, Pfizer, Mexico). The objective was to compare the pharmacokinetic properties of these products after a single‐dose administration to 47 healthy male volunteers (aged 19‐48 years) in a randomized, open‐label, 2‐way crossover study. Each subject received a single oral dose of 50 mg of sildenafil test or reference product administered under fasting conditions at each of the 2 study periods according to a crossover design. There was a 3‐day washout period between drug administrations. Blood samples for pharmacokinetic analysis were collected predose and at different times postdosing. The maximum plasma concentration and area under the curve from administration to last observed concentration time of test and reference products were compared. Pharmacokinetic parameters shown to be within the confidence interval 80% to 125% for log‐transformed data and Shuirmann and Anderson Hauck tests showed a high probability that area under the curve values for the test product were within 80% to 125% (P < .05). Adverse events occurred at similar rates for the 2 formulations (8 for each product), headache being the most prevalent. The results suggest that the 2 sildenafil formulations, orally disintegrating films and film‐coated tablets, are similar in terms of bioavailability, making the test product a good alternative to treat erectile dysfunction and improving dosing convenience.
Experiences of a transdiagnostic group, the Take Control Course, for clients with common mental health problems: A qualitative study
Authors: Morris Lydia , Mansell Warren , Amos Rebekah , Edge Dawn
Published: June 2018

Objectives

Despite the promising effectiveness findings for transdiagnostic groups, studies have not explored clients' experiences. There is a risk that clients could perceive that the content of transdiagnostic groups is not sufficiently tailored to their specific problems. Our aims were to examine whether a brief transdiagnostic group, the Take Control Course (TCC), was acceptable to participants and to explore participants' perceptions of psychological change.

Methods

Qualitative data were collected via 12 semistructured, in‐depth interviews. Data collection and thematic analysis were concurrent and iterative.

Results

Three superordinate themes were identified: “Style and format,” “Control and flexibility,” and “Change.” The flexible group format was appreciated, as participants felt able to engage at their own pace and adapt relevant aspects. Greater clarity regarding what was within participants' control reduced distress and enabled effective pursuit of valued goals. Participants described significant (predominantly gradual) changes, including substantial improvements within relationships.

Conclusions

The transdiagnostic format did not prevent participants experiencing the TCC as individually relevant. The flexibility and consistent theoretical framework seemed to contribute to this. The results indicated that greater consideration of control and mindfulness allowed greater cognitive flexibility, an ability to reprioritize and let go of unhelpful habits, which better enabled participants to meet their goals. Implications for group therapy include (a) clearly explaining the format of such groups to clients and (b) providing flexibility in the way the group is delivered where possible. Additional qualitative studies of transdiagnostic groups are required to establish if themes generalize to other transdiagnostic groups.
Drift effects and up–down asymmetry in balanced double‐null DIII‐D divertor configurations
Authors: Meier E.T. , Covele B. , Guo H.Y. , Thomas D.M.
Published: June 2018

In a preliminary design study for a small‐angle slot (SAS) divertor configuration suitable for DIII‐D double‐null advanced tokamak (AT) plasmas, a conceptual “SAS 2” slot divertor configuration has been modelled with SOLPS‐ITER. A balanced double‐null equilibrium, representing an H‐mode AT plasma, is employed, with 5 MW neutral beam input power. In simulations with fully recycling walls and no pumping, an up–down‐symmetric open divertor geometry is compared with the SAS 2 configuration. In density scans without electric or magnetic drifts, the upstream separatrix electron density needed to achieve detachment at both target strike points (ne, sep, det.) is ∼35% lower in SAS 2 than in the open configuration, with ne, sep, det. = 1.66 and 2.59 × 1019 m−3, respectively. With drifts, the same ∼35% difference remains, but detachment density for each configuration is shifted up by ∼15%, giving ne, sep, det. = 1.94 and 2.99 × 1019 m−3, respectively. Cryopumping is modelled for the SAS 2 divertor, and with a pump duct deep in the upper slot on the common‐flux side, detachment density is shifted up by ∼15–20%. Strong pumping in the upper slot delays detachment there compared with the lower slot, regardless of drift direction. This research sets the stage for future modelling that would explore more sophisticated cryopumping configurations, and sensitivity of divertor performance to changes in magnetic balance and input power.
Mineralization of flexible mesoporous TiO2 photoanodes using two low‐temperature dielectric barrier discharges in ambient air
Authors: Shekargoftar Masoud , Dzik Petr , Ďurašová Zuzana , Stupavská Monika , Pavliňák David , Homola Tomáš
Published: June 2018

Two types of dielectric barrier discharges (DBDs), volume DBD (called Industrial Corona) and coplanar DBD, were used for low temperature (70 °C) atmospheric pressure plasma mineralization of mesoporous methyl‐silica/titanium dioxide nanocomposite photoanodes. The photoanodes with a thickness of approx. 300 nm were inkjet‐printed on flexible polyethylene terephthalate (PET) foils. Plasma treatments of both DBDs led to changes in the chemical stoichiometry and morphology of the mesoporous photoanodes, resulting in a significant increase of the work function from approx. 4.0 to 4.3 eV and 4.8 eV, after plasma mineralization with volume DBD and coplanar DBD, respectively. We also studied the effect of plasma mineralization on the photoelectrochemical properties of the flexible mesoporous TiO2 photoanodes. Plasma mineralization with volume DBD and coplanar DBD showed different effects on the generated photocurrent in the photoanodes. Although the plasma mineralization with volume DBD showed only a minor effect on the photocurrent, plasma mineralization with coplanar DBD led to significantly higher photocurrents. We found that the enhancement of the photoelectrochemical properties was related to the homogeneity of the plasma‐treated surfaces—arising from different spatial properties of the plasma between volume and coplanar DBDs. Furthermore, the results showed that plasma mineralization using coplanar DBD can effectively change the energy levels of the surface. This resulted in the enhancement of the work function and the photoelectrochemical properties of the mesoporous TiO2 photoanodes. This contribution shows that coplanar arrangement of electrodes in DBDs generates plasma of higher efficacy compared with standard volume DBD that is currently often used in industrial processes.
Salmon‐supported bears, seed dispersal, and extensive resource subsidies to granivores
Authors: Shakeri Yasaman N. , White Kevin S. , Levi Taal
Published: June 2018

In salmon‐rich environments, which once spanned much of the Northern Hemisphere, bears occur at exceptionally high densities. Salmon, by growing bear populations, have the potential to exert wide‐ranging effects on ecosystem processes. Salmon‐supported bears provide seed dispersal services to plants, and bear scats containing thousands of seeds may then be efficient nutritional resources for granivorous small mammals that also function as secondary seed dispersers while hoarding seeds for winter. We taxonomically identified and enumerated seeds in individual bear scats to characterize patterns of bear frugivory. We then combined estimates of seed abundance and digestible energy content to quantify the energy available to granivorous small mammals, and we quantified the proportion of the mouse population that could be supported by locally abundant bear populations in lowland salmon systems. We additionally monitored seed‐filled bear scats with remote cameras to quantify small mammal visitation rates, and live‐trapped small mammals seasonally to determine whether rodents visited bear scats proportional to their densities or whether some species preferentially selected for bear scats, and to assess whether seasonal variation in scat visitation was driven by density or selection. Bears were an important initial dispersal agent for 12 species of fruit, particularly devil's club (Oplopanax horridus) and blueberry (Vaccinium spp.), which occurred in 80% (5839 seeds/scat) and 50% (10,719 seeds/scat) of scats, respectively. Seeds in bear scats were intensively utilized and dispersed by small mammals, primarily scatter‐hoarding northwestern deer mice (Peromyscus keeni; 8.5 visits per day/4295 total visits) and larder‐hoarding northern red‐backed voles (Myodes rutilus; 2.2 visits per day/1099 total visits), with visitation rates proportional to the seasonal density of each species. Small mammals likely incurred significant nutritional benefits from seeds deposited in bear scats (kcal/scat, mean = 114, n = 71). In coastal Alaska riparian areas, bears are potentially capable of indirectly subsidizing the energy needs of 45–65% of local deer mouse populations. Thus, this work helps elucidate the role that salmon, by supporting abundant bears, plays in ecological communities via influencing seed dispersal and resource subsidies to the small mammals that compose the base of the food web.
Recent spring warming limits near‐treeline deciduous and evergreen alpine dwarf shrub growth
Authors: Weijers Stef , Beckers Niklas , Löffler Jörg
Published: June 2018

Warming may lead to a cover increase of tundra shrubs and a north‐ and upward shift of treelines. The latter may be inhibited by a densification of shrub stands. However, the climatic drivers of near‐treeline shrub growth are relatively unexplored, especially that of shrub species from different functional groups growing intertwined, in competition for light and resources. We measured ring widths from two dominant dwarf shrubs species, the deciduous Betula nana and the evergreen Empetrum nigrum ssp. hermaphroditum from a near‐treeline alpine ridge in the Central Norwegian Scandes, and tested the influence of on‐site and regional climate, and changes therein, over the past 55 yr. Radial growth of B. nana was found to be negatively influenced by early summer (June–July) precipitation, possibly related to low amounts of photosynthetically active radiation and nitrogen leaching, and positively by July temperatures. That of E. hermaphroditum was positively correlated with late summer (July–August) temperatures. In recent decades, the influence of summer climate on both species’ growth has declined and been replaced by a negative influence of May temperatures. Rising spring temperatures in recent decades have likely advanced key phenology events in B. nana and E. hermaphroditum, such as budburst and flowering. This may have left the shrubs’ soft tissues vulnerable to late frost events, which in recent decades occur more frequently after the advanced start of the growing season, resulting in suppressed growth.