bluuebunny/crossref_metadata_2025 huggingface dataset:
Combining motor imagery with action observation training does not lead to a greater autonomic nervous system response than motor imagery alone during simple and functional movements: a randomized controlled trial
Authors: Cuenca-Martínez Ferran , Suso-Martí Luis , Grande-Alonso Mónica , Paris-Alemany Alba , La Touche Roy
Published: July 2018

Both motor imagery (MI) and action observation (AO) trigger the activation of the neurocognitive mechanisms that underlie the planning and execution of voluntary movements in a manner that resembles how the action is performed in a real way. The main objective of the present study was to compare the autonomic nervous system (ANS) response in an isolated MI group compared to a combined MI + AO group. The mental tasks were based on two simple movements that are recorded in the revised movement imagery questionnaire in third-person perspective. The secondary objective of the study was to test if there was any relationship between the ANS variables and the ability to generate mental motor imagery, the mental chronometry and the level of physical activity. The main outcomes that were measured were heart rate, respiratory rate and electrodermal activity. A Biopac MP150 system, a measurement device of autonomic changes, was used for the quantification and evaluation of autonomic variables. Forty five asymptomatic subjects were selected and randomized in three groups: isolated MI, MI + AO and control group (CG). In regards to the activation of the sympathetic nervous system (SNS), no differences were observed between MI and MI + AO groups (p > .05), although some differences were found between both groups when compared to the CG (p < .05). Additionally, even though no associations were reported between the ANS variables and the ability to generate mental motor imagery, moderate-strong positive associations were found in mental chronometry and the level of physical activity. Our results suggest that MI and MI + AO, lead to an activation of the SNS, although there are no significant differences between the two groups. Based on results obtained, we suggest that tasks of low complexity, providing a visual input through the AO does not facilitates their subsequent motor imagination. A higher level of physical activity as well as a longer time to perform mental task, seem to be associated with a greater increase in the ANS response.
Study of community-living Alzheimer’s patients’ adherence to the Mediterranean diet and risks of malnutrition at different disease stages
Authors: Rocaspana-García Mariona , Blanco-Blanco Joan , Arias-Pastor Alfonso , Gea-Sánchez Montserrat , Piñol-Ripoll Gerard
Published: July 2018

Background

Alzheimer’s disease (AD) is a neurodegenerative disease that is characterized by deficits in episodic memory. It is the most common form of dementia and affects 50–70% of patients with cognitive impairments over the age of 65. Elderly people are particularly susceptible to malnutrition and that risk is even higher in patients with AD. This study assessed the nutritional status of patients with AD at different stages of AD and explored how that status correlated with cognitive, functional and behavioural variables and caregiver overburden. The characteristics of the diet and the degree of adherence to the Mediterranean diet were also analysed.

Methods

This was a cross-sectional study that was representative of the general population and it was carried out in the Unit of Cognitive Disorders, Lleida, Spain. The participants were 111 subjects with AD who were aged 65 and over and still living at home. The subjects’ nutritional status was assessed using the Mini Nutritional Assessment (MNA) and Controlling Nutritional Status system. The monthly food intake was estimated using the short Food Frequency Questionnaire and adherence to the Mediterranean diet was evaluated using the Mediterranean Diet Score. The Mini Mental State Examination (MMSE), Global Deterioration Scale, Neuropsychiatric Inventory (NPI) and Zarit Burden Interview (ZBI) were also used.

Results

We found that 68% of the subjects presented with a risk of malnutrition and 19% were malnourished according to the MNA scale. Patients ate a higher quantity of meat and dairy products than recommended and fewer products from the remaining healthier food groups. Of the 111 subjects, 73% showed low adherence to the Mediterranean diet and 27% showed moderate adherence. There was a partial correlation between nutritional status and the MMSE when the data were adjusted for age and sex (r = 0, 318;p = 0.001) and inverse correlations were found for functional status (r =  − 0.283;p = 0.004) and the NPI (r =  − 0.409;p = 0.000) and ZBI scales (r =  − 0.433;p = 0.000) when they were adjusted using the same variables. The ZBI scale (OR 1.08, 95% CI [1.01–1.15]) showed an increase in the risk of malnutrition in the multivariate analysis.

Discussion

Alterations in nutritional status were more common during the advanced stages of AD and were also associated with behavioural changes and caregiver overburden. Low adherence to traditional healthy diets in Mediterranean countries and food intake profiles should be considered when managing patients with AD. Other countries can use the results to examine diets in people with AD that are high in meat and dairy and low in healthy food groups like fruit and vegetables.
Effects of size and microclimate on whole-tree water use and hydraulic regulation inSchima superbatrees
Authors: Zhao Xiao-wei , Ouyang Lei , Zhao Ping , Zhang Chun-fang
Published: July 2018

Background

Plant-water relations have been of significant concern in forestry and ecology studies in recent years, yet studies investigating the annual differences in the characteristics of inter-class water consumption in trees are scarce.

Methods

We classified 15 trees from aSchima superbaplantation in subtropical South China into four ranks using diameter at breast height (DBH). The inter-class and whole-tree water use were compared based on three parameters: sap flux density, whole-tree transpiration and canopy transpiration over two years. Inter-class hydraulic parameters, such as leaf water potential, stomatal conductance, hydraulic conductance, and canopy conductance were also compared.

Results

(1) Mean water consumption of the plantation was 287.6 mm over a year, 165.9 mm in the wet season, and 121.7 mm in the dry season. Annual mean daily water use was 0.79 mm d−1, with a maximum of 1.39 mm d−1. (2) Isohydrodynamic behavior were found inS. superba. (3) Transpiration was regulated via both hydraulic conductance and stoma; however, there was an annual difference in which predominantly regulated transpiration.

Discussion

This study quantified annual and seasonal water use of aS. superbaplantation and revealed the coordinated effect of stoma and hydraulic conductance on transpiration. These results provide information for large-scale afforestation and future water management.
Phenytoin-induced chronic liver enzyme elevation and hepatic fibrosis: A case report
Authors: Curry Brent , Mican Lisa , Smith Tawny L.
Published: July 2018

Background:

Liver fibrosis results from chronic damage to the liver. Advanced liver fibrosis results in cirrhosis, liver failure, and portal hypertension and may even require liver transplantation. A liver biopsy is considered the “gold standard” method for the assessment of liver fibrosis; however, ultrasonography can also detect changes in the hepatic parenchyma due to fibrosis. Although reports in the literature describe phenytoin-induced hepatic injury, often this rare occurrence is usually accompanied by a hypersensitivity reaction.

Case report:

Our patient is a 50-year-old female with history of schizoaffective disorder, bipolar type, who had been admitted to a state psychiatric facility. She has a history of seizure disorder, which had been well controlled with phenytoin since 2011. Mild-to-moderate elevations in her liver enzymes were noted during therapy but normalized once phenytoin was discontinued. An ultrasound of the patient's liver in January 2016 showed changes of fatty infiltration and fibrosis.

Conclusion:

This case differs from other cases reported in the literature that describe phenytoin-induced hepatic injury. The majority of these cases are accompanied by immune-allergic features. To our knowledge, there have been no reported cases in the literature of prolonged liver enzyme elevation resulting in phenytoin-induced hepatic fibrosis.
Acute hyponatremia with accompanying hyperammonemia secondary to divalproex sodium: A case report
Authors: Maister Ashley J. , Bogart Gregory T.
Published: July 2018

Divalproex sodium (DVP) is an antiepileptic medication that also has mood stabilizing properties for patients with mental health disorders. Currently, there are a small number of case reports discussing the incidence of hyponatremia that occurs as an adverse effect of DVP. After completion of a thorough literature search, we present the first case report describing acute hyponatremia with accompanying hyperammonemia secondary to DVP use. This case describes a 44-year-old male patient who experienced hyponatremia with accompanying hyperammonemia following initiation of DVP for schizoaffective disorder. This case highlights the need for clinicians to consider monitoring electrolytes, in addition to liver function and platelets, with the initiation of therapy or increase in daily dosage. Given the drug's action at voltage-gated sodium channels, changes in serum sodium could be expected.
Development of Vanadium‐Coated Carbon Microspheres: Electrochemical Behavior as Electrodes for Supercapacitors
Authors: Elmouwahidi Abdelhakim , Bailón‐García Esther , Pérez‐Cadenas Agustín F. , Fernández‐Sáez Nerea , Carrasco‐Marín Francisco
Published: July 2018

Vanadium‐coated carbon‐xerogel microspheres are successfully prepared by a specific designed sol–gel method, and their supercapacitor behavior is tested in a two‐electrode system. Nitrogen adsorption shows that these composite materials present a well‐developed micro‐ and mesoporous texture, which depends on the vanadium content in the final composite. A high dispersion of vanadium oxide on the carbon microsphere surface is reached, being the vanadium particle size around 4.5 nm. Moreover, low vanadium oxidation states are stabilized by the carbon matrix in the composites. The complete electrochemical characterization of the composites is carried out using cyclic voltammetry, chronopotentiometry, cycling charge–discharge, and impedance spectroscopy. The results show that these composites present high capacitance as 224 F g−1, with a high capacitance retention which is explained on the basis of the presence of vanadium oxide, texture, and chemistry surface.
Synthetic Multifunctional Graphene Composites with Reshaping and Self‐Healing Features via a Facile Biomineralization‐Inspired Process
Authors: Lin Shuyuan , Zhong Yujia , Zhao Xuanliang , Sawada Toshiki , Li Xinming , Lei Wenhai , Wang Moran , Serizawa Takeshi , Zhu Hongwei
Published: July 2018

Since graphene is a type of 2D carbon material with excellent mechanical, electrical, thermal, and optical properties, the efficient preparation of graphene macroscopic assemblies is significant in the potentially large‐scale application of graphene sheets. Conventional preparation methods of graphene macroscopic assemblies need strict conditions, and, once formed, the assemblies cannot be edited, reshaped, or recycled. Herein, inspired by the biomineralization process, a feasible approach of shapeable, multimanipulatable, and recyclable gel‐like composite consisting of graphene oxide/poly(acrylic acid)/amorphous calcium carbonate (GO‐PAA‐ACC) is designed. This GO‐PAA‐ACC material can be facilely synthesized at room temperature with a cross‐linking network structure formed during the preparation process. Remarkably, it is stretchable, malleable, self‐healable, and easy to process in the wet state, but tough and rigid in the dried state. In addition, these two states can be readily switched by adjusting the water content, which shows recyclability and can be used for 3D printing to form varied architectures. Furthermore, GO‐PAA‐ACC can be functionalized or processed to meet a variety of specific application requirements (e.g., energy‐storage, actuators). The preparation method of GO‐PAA‐ACC composite in this work also provides a novel strategy for the versatile macroscopic assembly of other materials, which is low‐cost, efficient, and convenient for broad application.
Selective Functionalization of Aminoheterocycles by a Pyrylium Salt
Authors: Moser Daniel , Duan Yaya , Wang Feng , Ma Yuanhong , O'Neill Matthew J. , Cornella Josep
Published: July 2018

The functionalization of aminoheterocycles by using a pyrylium tetrafluoroborate reagent (Pyry‐BF4) is presented. This reagent efficiently condenses with a great variety of heterocyclic amines and primes the C−N bond for nucleophilic aromatic substitution. More than 60 examples for the formation of C−O, C−N, C−S, or C−SO2R bonds are disclosed herein. In contrast to C−N activation through diazotization and polyalkylation, this method is characterized by its mild conditions and impressive functional‐group tolerance. In addition to small‐molecule derivatization, Pyry‐BF4 allows the introduction of functional groups in a late‐stage fashion to furnish highly functionalized structures.
Facile Preparation of Hydrophobic Colloidal MFI and CHA Crystals and Oriented Ultrathin Films
Authors: Zhou Ming , Hedlund Jonas
Published: July 2018

We report novel routes for synthesis of defect‐free, hydrophobic and monodispersed 10 nm (5 unit cells) thick MFI crystals and 100 nm CHA crystals. The crystals are obtained in high yield and display very high 1‐butanol adsorption from aqueous solution. These crystals are assembled in monolayers for the growth of ultrathin and uniformly oriented films with thicknesses of 36 nm and 330 nm, respectively, using a synthesis gel in the form of a powder. This method is very simple and may open up for industrial preparation of materials with improved performances.
Synthesis of Bifunctional Allylic Compounds by Using Cyclopropenes as Functionalized Allyl Equivalents
Authors: Mata Sergio , López Luis A. , Vicente Rubén
Published: July 2018

The synthesis of uncommon bifunctional allylic derivatives bearing a silane and an alcohol within the same allylic framework is reported. This method relies on the coupling of hydrosilanes with substituted and functionalized cyclopropenes, which deliver the allyl fragment. Rhodium(II) catalysts provide regioselective access to vinyl carbene intermediates, which easily undergo Si−H bond insertions. The transformation occurs with complete atom economy and shows a remarkably broad scope, including a intramolecular version for the synthesis of cyclic O−Si‐linked compounds as well as the synthesis of the corresponding allyl amines.
Enzymatic Control of the Conformational Landscape of Self‐Assembling Peptides
Authors: Shi Junfeng , Fichman Galit , Schneider Joel P.
Published: July 2018

Post‐translational modification is a common mechanism to affect conformational change in proteins, which in turn, regulates function. Herein, this principle is expanded to instruct the formation of supramolecular assemblies by controlling the conformational bias of self‐assembling peptides. Biophysical and mechanical studies show that an engineered phosphorylation/dephosphorylation couple can affectively modulate the folding of amphiphilic peptides into a conformation necessary for the formation of well‐defined fibrillar networks. Negative design principles based on the incompatibility of hosting residue side‐chain point charge within hydrophobic environments proved key to inhibiting the peptide's ability to adopt its low energy fold in the assembled state. Dephosphorylation relieves this restriction, lowers the energy barrier between unfolded and folded peptide, and allows the formation of self‐assembled fibrils that contain the folded conformer, thus ultimately enabling the formation of a cytocompatible hydrogel material.
Parsing in vivo and in vitro contributions to microcrystalline cellulose hydrolysis by multidomain glycoside hydrolases in the Caldicellulosiruptor bescii secretome
Authors: Conway Jonathan M. , Crosby James R. , McKinley Bennett S. , Seals Nathaniel L. , Adams Michael W. W. , Kelly Robert M.
Published: July 2018

Six multidomain glycoside hydrolases (GHs), CelA (Athe_1867), CelB (Athe_1859), CelC (Athe_1857), CelD (Athe_1866), CelE (Athe_1865), and CelF (Athe_1860) are encoded in the Caldicellulosiruptor bescii glucan degradation locus (GDL). Each GH was affinity‐tagged, overexpressed, and purified from recombinant C. bescii for side‐by‐side characterization in vitro and to examine the contribution of each of these enzymes to microcrystalline cellulose hydrolysis in vivo. All six recombinant GDL GHs were glycosylated, and deletion of glycosyltransferase Athe_1864 eliminated this posttranslational modification. A simplex centroid mixture experimental design revealed that in vitro optimal mixtures of the GDL GHs were predominantly CelA, CelC, and CelE, had low to moderate proportions of CelB and CelD, and minimal CelF. The best binary mixture contained CelA + CelB in a 3:2 molar ratio, whereas the best ternary mixture was composed of CelA + CelC + CelE in equimolar amounts. Neither the native C. bescii secretome nor cocktails of GDL GHs in vitro exceeded 25% of cellulose hydrolysis observed for wild‐type C. bescii in vivo. C. bescii deletion strains lacking specific GDL GHs could be restored to wild‐type degradation levels with the exogenous addition of either 5 µg/ml of recombinant GDL GH cocktails based on the natural secretome or mixtures optimized in vitro. Also, the addition of CelA up to 100 µg/ml provided no significant additional benefit. These results suggest that the C. bescii secretome is naturally balanced to achieve optimal synergy for cellulose degradation. They also reinforce the importance of microbial contributions to microcrystalline cellulose hydrolysis and suggest that mass action effects from glucan fermentation shift equilibria to drive degradation.
Corporate sustainability performance improvement using an interrelationship hierarchical model approach
Authors: Tseng Ming‐Lang , Lim Ming K. , Wu Kuo‐Jui
Published: July 2018

This study: (i) contributes to screening less important corporate sustainability attributes, (ii) proposes an interrelationship and hierarchical model based on the focal firm in the electronic industry's approach, and (iii) compares the performance and importance levels to identify performance improvement attributes. Prior studies neglected performance improvement with interrelationships and hierarchical structure analytical models built on multi‐attributes. Hence, this study proposes to integrate exploratory factor analysis to eliminate less important attributes, adopts a fuzzy synthetic method to address the hierarchical model, and the fuzzy synthetic and the decision‐making trial and evaluation laboratory methods to trace the attributes' importance and performance levels. The importance and performance level discrepancies indicated improvement. The social image, corporate culture and stakeholder management led to economic activities. The results indicate that top management support and manager attitude and behaviour are the drivers of corporate sustainability performance improvement.
Characterisation of the Carboxypeptidase G2 Catalytic Site and Design of New Inhibitors for Cancer Therapy
Authors: Jeyaharan Dhadchayini , Brackstone Carla , Schouten James , Davis Paul , Dixon Ann M.
Published: July 2018

The enzyme carboxypeptidase G2 (CPG2) is used in antibody‐directed enzyme prodrug therapy (ADEPT) to catalyse the formation of an active drug from an inert prodrug. Free CPG2 in the bloodstream must be inhibited before administration of the prodrug in order to avoid a systemic reaction in the patient. Although a few small‐molecule CPG2 inhibitors have been reported, none has been taken forward thus far. This lack of progress is due in part to a lack of structural understanding of the CPG2 active site as well as the absence of small molecules that can block the active site whilst targeting the complex for clearance. The work described here aimed to address both areas. We report the structural/functional impact of extensive point mutation across the putative CPG2 catalytic site and adjacent regions for the first time, revealing that residues outside the catalytic region (K208A, S210A and T357A) are crucial to enzyme activity. We also describe novel molecules that inhibit CPG2 whilst maintaining the accessibility of galactosylated moieties aimed at targeting the enzyme for clearance. This work acts as a platform for the future development of high‐affinity CPG2 inhibitors that occupy new chemical space and will advance the safe application of ADEPT in cancer treatment.
Delamination and Photochemical Modification of a Novel Two‐Dimensional Zr‐Based Metal–Organic Frameworks
Authors: Mohmeyer Alexander , Schaate Andreas , Brechtken Benedikt , Rode Johannes C. , Warwas Dawid P. , Zahn Gesa , Haug Rolf J. , Behrens Peter
Published: July 2018

In this contribution we present a novel two‐dimensional Zr‐based metal–organic framework (MOF) which offers the possibility for delamination and post‐synthetic photochemical modification at the linker molecule derived from benzophenone‐4,4′‐dicarboxylic acid (H2bzpdc). The new Zr‐bzpdc‐MOF crystallizes in the orthorhombic system as crystals with rhombic shape. The structure was determined from single‐crystal diffraction data. The MOF is stable up to 300 °C in air and exhibits a moderate BET surface area of 650 m2 g−1. The material can be obtained as thin sheets of a few nanometer thickness. Single crystals were modified post‐synthetically, exploiting the intrinsic reactivity of the benzophenone group with C−H bond containing molecules. In this way, the surface properties of the MOF crystals (e.g., dispersibility in different solvents) can be changed drastically. Delamination and adaptation of the surface chemistry open up novel ways for shaping MOFs, for example, for the incorporation into polymer composites, and pave the way for various applications.
Near‐Infrared Ratiometric Luminescent Thermometer Based on a New Lanthanide Silicate
Authors: Ananias Duarte , Almeida Paz Filipe A. , Carlos Luís D. , Rocha João
Published: July 2018

A new lanthanide silicate system, Na2K[Ln3Si6O18] (Ln=Lu, Yb/ Er, Lu/Eu, or Lu/Yb/Er), comprising microcrystals embedded in an amorphous siliceous matrix, obtained by sintering at 1373 K a Na3K[Ln2Si6O17]⋅3 H2O nano‐crystalline precursor, is reported. The crystal structure of these lanthanide silicates was solved from high‐resolution synchrotron power X‐ray diffraction data collected at 110 K, and further supported by 29Si MAS NMR and Eu3+ luminescence. The materials crystallize in the Pī triclinic centrosymmetric space group, exhibiting a dense framework consisting of hexameric [Si6O18]12− cyclosilicate units, and chains of two distinct {LnO6} octahedra. Na2K[(Lu0.75Yb0.20Er0.05)3Si6O18] is the first example of a lanthanide silicate operative as a near‐infrared ratiometric luminescent thermometer, with good sensitivity at cryogenic temperatures (<100 K). Upon excitation at 903 nm, the ratio between the 2F7/2→2F5/2 (Yb3+) and 4I13/2→4I15/2 (Er3+) emissions was used for sensing temperature in the 12–450 K range, reaching a maximum thermal sensitivity of 2.6 % K−1 at 26.8 K.
Indium Phosphite‐Based Porous Solids Exhibiting Organic Sensing and a Facile Route to Superhydrophobicity
Authors: Chang Yu‐Tzu , Lo Sheng‐Han , Lin Chia‐Her , Hung Ling‐I , Wang Sue‐Lein
Published: July 2018

In searching for practical crystalline porous solids, two unique hybrid materials with featured functions, In‐bpy and In‐dpe, were prepared without deliberately designed organic linker units or complex post‐modification procedures. Composed of oxalate‐embedded metal phosphite (MPO) sheets and bipyridyl‐type ligands of varied molecular lengths, they show a common pillar‐layered topology but are the first well‐characterized organo‐MPOs to possess genuine porosity, substantiated by CO2 adsorption, and structural stability under harsh conditions. In‐bpy exhibits a turn‐on fluorescence signal when in contact with p‐xylene, making it the first MPO‐based sensing material with selectivity and recyclability. Furthermore, In‐dpe demonstrates a facile and unprecedented route to the superhydrophobicity of porous solids via a [2+2] photocycloaddition reaction between linker and foreign units. Our findings suggest that MPO may serve as a promising platform for hybrid frameworks to create many more functional porous materials.
High‐Resolution NMR of Folded Proteins in Hyperpolarized Physiological Solvents
Authors: Kadeřávek Pavel , Ferrage Fabien , Bodenhausen Geoffrey , Kurzbach Dennis
Published: July 2018

Hyperpolarized 2D exchange spectroscopy (HYPEX) to obtain high‐resolution nuclear magnetic resonance (NMR) spectra of folded proteins under near‐physiological conditions is reported. The technique is based on hyperpolarized water, which is prepared by dissolution dynamic nuclear polarization and mixed in situ in an NMR spectrometer with a protein in a physiological saline buffer at body temperature. Rapid exchange of labile protons with the hyperpolarized solvent, combined with cross‐relaxation effects (NOEs), leads to boosted signal intensities for many amide 1H–15N correlations in the protein ubiquitin. As the introduction of hyperpolarization to the target protein is mediated via the solvent, the method is applicable to a broad spectrum of target molecules.
Norbornadiene‐Based Photoswitches with Exceptional Combination of Solar Spectrum Match and Long‐Term Energy Storage
Authors: Jevric Martyn , Petersen Anne U. , Mansø Mads , Kumar Singh Sandeep , Wang Zhihang , Dreos Ambra , Sumby Christopher , Nielsen Mogens Brøndsted , Börjesson Karl , Erhart Paul , Moth‐Poulsen Kasper
Published: July 2018

Norbornadiene‐quadricyclane (NBD‐QC) photoswitches are candidates for applications in solar thermal energy storage. Functionally, they rely on an intramolecular [2+2] cycloaddition reaction, which couples the S0 landscape on the NBD side to the S1 landscape on the QC side of the reaction and vice‐versa. This commonly results in an unfavourable correlation between the first absorption maximum and the barrier for thermal back‐conversion. This work demonstrates that this correlation can be counteracted by using steric repulsion to hamper the rotational motion of the side groups along the back‐conversion path. It is shown that this modification reduces the correlation between the effective back‐conversion barrier and the first absorption maximum and also increases the back‐conversion entropy. The resulting molecules exhibit exceptionally long half‐lives for their metastable forms without significantly affecting other properties, most notably solar spectrum match and storage density.
Evaluation of the Edman degradation product of vancomycin bonded to core‐shell particles as a new HPLC chiral stationary phase
Authors: Hellinghausen Garrett , Lopez Diego A. , Lee Jauh T. , Wang Yadi , Weatherly Choyce A. , Portillo Abiud E. , Berthod Alain , Armstrong Daniel W.
Published: July 2018

A modified macrocyclic glycopeptide‐based chiral stationary phase (CSP), prepared via Edman degradation of vancomycin, was evaluated as a chiral selector for the first time. Its applicability was compared with other macrocyclic glycopeptide‐based CSPs: TeicoShell and VancoShell. In addition, another modified macrocyclic glycopeptide‐based CSP, NicoShell, was further examined. Initial evaluation was focused on the complementary behavior with these glycopeptides. A screening procedure was used based on previous work for the enantiomeric separation of 50 chiral compounds including amino acids, pesticides, stimulants, and a variety of pharmaceuticals. Fast and efficient chiral separations resulted by using superficially porous (core‐shell) particle supports. Overall, the vancomycin Edman degradation product (EDP) resembled TeicoShell with high enantioselectivity for acidic compounds in the polar ionic mode. The simultaneous enantiomeric separation of 5 racemic profens using liquid chromatography‐mass spectrometry with EDP was performed in approximately 3 minutes. Other highlights include simultaneous liquid chromatography separations of rac‐amphetamine and rac‐methamphetamine with VancoShell, rac‐pseudoephedrine and rac‐ephedrine with NicoShell, and rac‐dichlorprop and rac‐haloxyfop with TeicoShell.
Parallel and distributed algorithms
Authors: Aupy Guillaume , Tang Xueyan
Published: July 2018

We introduce the papers submitted to the special issue of Computation, Concurrency: Practice and Experience on parallel and distributed algorithms.
Monocyte and Neutrophil Isolation, Migration, and Phagocytosis Assays
Authors: Maini Alexander , Foote Juliet R. , Hayhoe Richard , Patel Amit A. , O'Brien Alastair , Avraham‐Davidi Inbal , Yona Simon
Published: July 2018

This article describes methods for isolating mouse monocytes and neutrophils, as well as in vitro protocols for measuring cell phagocytosis, migration, and polarization. The method employed here for the isolation of naive phagocytes overcomes many of the difficulties previously encountered concerning phagocyte activation. Three in vitro protocols are provided for the analysis of cell migration, one requiring no specialized equipment, one requiring a modified Boyden chamber, and the other employing a flow chamber, which measures cell adhesion, rolling, and migration. Three in vitro protocols to examine phagocytosis have been included in this updated version. Finally, a method is provided for imaging polarized cells by confocal microscopy. © 2018 by John Wiley & Sons, Inc.
Optimum design of high power and high efficiency mm‐wave fundamental oscillators
Authors: Shirinabadi Hossein , Kalantari Milad , Fotowat‐Ahmady Ali , Banai Ali
Published: July 2018

A systematic method to design high power and high efficiency mm‐wave fundamental oscillators is presented. By using a linear time variant method, we first obtain the optimum conditions and show that these conditions can be significantly different for high power and high efficiency fundamental oscillation. Next, we propose a modified multistage ring oscillator with interstage passive networks to exploit the full capacity of the transistors in terms of output power or efficiency. Analytical expressions are also derived to determine the value of passive elements used in the oscillator. To verify the validity of the method, a 77‐GHz two‐stage (differential) VCO is designed in a 65‐nm CMOS process. Careful electromagnetic and circuit simulations demonstrate that the designed VCO has 2‐GHz tuning range, maximum output power of 10.5 dBm and maximum DC to RF efficiency of 24.1%. The designed VCO shows 54.8% and 108.7% improvement in terms of maximum output power and efficiency compared with a conventional cross‐coupled VCO with the same tuning range.
X‐ray computed tomography and its potential in ecological research: A review of studies and optimization of specimen preparation
Authors: Gutiérrez Yeisson , Ott David , Töpperwien Mareike , Salditt Tim , Scherber Christoph
Published: July 2018

Imaging techniques are a cornerstone of contemporary biology. Over the last decades, advances in microscale imaging techniques have allowed fascinating new insights into cell and tissue morphology and internal anatomy of organisms across kingdoms. However, most studies so far provided snapshots of given reference taxa, describing organs and tissues under “idealized” conditions. Surprisingly, there is an almost complete lack of studies investigating how an organism′s internal morphology changes in response to environmental drivers. Consequently, ecology as a scientific discipline has so far almost neglected the possibilities arising from modern microscale imaging techniques. Here, we provide an overview of recent developments of X‐ray computed tomography as an affordable, simple method of high spatial resolution, allowing insights into three‐dimensional anatomy bothin vivoandex vivo. We review ecological studies using this technique to investigate the three‐dimensional internal structure of organisms. In addition, we provide practical comparisons between different preparation techniques for maximum contrast and tissue differentiation. In particular, we consider the novel modality of phase contrast by self‐interference of the X‐ray wave behind an object (i.e., phase contrast by free space propagation). Using the cricketAcheta domesticus(L.) as model organism, we found that the combination ofFAEfixative and iodine staining provided the best results across different tissues. The drying technique also affected contrast and prevented artifacts in specific cases. Overall, we found that for the interests of ecological studies, X‐ray computed tomography is useful when the tissue or structure of interest has sufficient contrast that allows for an automatic or semiautomatic segmentation. In particular, we show that reconstruction schemes which exploit phase contrast can yield enhanced image quality. Combined with suitable specimen preparation and automated analysis, X‐rayCTcan therefore become a promising quantitative 3D imaging technique to study organisms′ responses to environmental drivers, in both ecology and evolution.
Intercolony variations in movement patterns and foraging behaviors among herring gulls (Larus argentatus) breeding in the eastern Wadden Sea
Authors: Enners Leonie , Schwemmer Philipp , Corman Anna‐Marie , Voigt Christian C. , Garthe Stefan
Published: July 2018

Herring gulls (Larus argentatus) are opportunistic predators that prefer to forage in the intertidal zone, but an increasing degree of terrestrial foraging has recently been observed. We therefore aimed to analyze the factors influencing foraging behavior and diet composition in the German Wadden Sea. Gulls from three breeding colonies on islands at different distances from the mainland were equipped with GPS data loggers during the incubation seasons in 2012–2015. Logger data were analyzed for 37 individuals, including 1,115 foraging trips. Herring gulls breeding on the island furthest from the mainland had shorter trips (mean total distance = 12.3 km; mean maximum distance = 4.2 km) and preferred to feed on the tidal flats close to the colony, mainly feeding on common cockles (Cerastoderma edule) and shore crabs (Carcinus maenas). In contrast, herring gulls breeding close to the mainland carried out trips with a mean total distance of 26.7 km (mean maximum distance = 9.2 km). These gulls fed on the neobiotic razor clams (Ensis leei) in the intertidal zone, and a larger proportion of time was spent in distant terrestrial habitats on the mainland, feeding on earthworms. δ13C and δ15N values were higher at the colony furthest from the mainland and confirmed a geographical gradient in foraging strategy. Analyses of logger data, pellets, and stable isotopes revealed that herring gulls preferred to forage in intertidal habitats close to the breeding colony, but shifted to terrestrial habitats on the mainland as the tide rose and during the daytime. Reduced prey availability in the vicinity of the breeding colony might force herring gulls to switch to feed on razor clams in the intertidal zone or to use distant terrestrial habitats. Herring gulls may thus act as an indicator for the state of the intertidal system close to their breeding colony.
Complexation of Actinides with Phosphine Oxide Functionalized Pillar[5]arenes: Extraction and Spectroscopic Studies
Authors: Ansari Seraj A. , Mohapatra Prasanta K. , Chen Lixi , Yuan Lihua , Feng Wen
Published: July 2018

Three phosphine oxide functionalized pillar[5]arenes were dissolved in 1‐butyl‐3‐methylimidazolium bis(trifluoromethanesulfonyl)imide ([C4mim][Tf2N]), a room‐temperature ionic liquid, and the solutions were used to extract representative tri‐, tetra‐ and hexavalent actinide ions, namely Am3+, Pu4+ and UO22+ ions, from nitric acid feeds. Although the extraction of Am3+ and UO22+ ions decreased with increasing feed acid concentration, the opposite trend was observed for Pu4+. The extraction of the actinide ions followed the trend Pu4+ > UO22+ > Am3+ at 3 m HNO3, and the extraction efficiency of the ligands followed the trend LIII > LII > LI with decreasing spacer lengths. The extraction mechanism conformed to the “solvation” type usually encountered in the case of molecular diluents. The nature of the extracted species was ascertained by “slope analysis”, in which the ligand, nitrate ion and C4mim+ ion concentrations were varied, as well as luminescence spectroscopic measurements. The possibility of recycling of the ionic‐liquid‐based solvent systems was evaluated by carrying out back‐extraction as well as radiolytic degradation studies.
Self‐Assembly Reactions To Form Multinuclear Zirconium(III) and Titanium(III) Complexes with Imidazole Derivatives as Bridging Ligands
Authors: Sander Pia , Geibel Irina , Witte Carina , Hüller Sascha , Schmidtmann Marc , Beckhaus Rüdiger
Published: July 2018

Self‐assembly reactions with low valent early transition metals, leading to neutral multinuclear complexes are rare. Mostly late transition metals like Pt, Pd or Ru together with N‐heterocycles or O‐donor‐based ligands are used to form supramolecular coordination complexes. This paper reports on self‐assembly reactions of low valent titanocene and zirconocene units and five‐membered N‐heterocycles as bridging ligands. These reactions lead to novel molecular triangles and rectangles with the metal centers marking the vertices. Five different imidazole derivatives and four different metallocene precursors were used. For the first time, molecular triangles and architectures with zirconocene as vertex units through self‐sorting effects are reported. Less sterically demanding substituents lead to the formation of molecular rectangles, whereas more sterically demanding substituents, e.g. Cp*‐ligands on the metal centers or phenyl groups on the bridging ligands lead to the formation of molecular triangles. The synthesis and properties of these air and moisture sensitive compounds are shown and discussed, and their molecular structures and geometries in the solid state were determined by single‐crystal X‐ray diffraction.
Metal‐Free Synthesis of 3‐Thiocyanatobenzothiophenes by Eosin Y Photoredox‐Catalyzed Cascade Radical Annulation of 2‐Alkynylthioanisoles
Authors: Tambe Shrikant D. , Jadhav Mahesh S. , Rohokale Rajendra S. , Kshirsagar Umesh A.
Published: July 2018

A convenient, efficient, metal‐free synthesis of 3‐thiocyanatobenzothiophenes has been developed that uses eosin Y in a visible‐light‐mediated photoredox‐catalyzed anion oxidation of the ammonium salt of thiocyanate and proceeds through the cascade radical annulation of 2‐alkynylthioanisole at room temperature. The present protocol requires visible light as a green energy source, an organic dye as the photocatalyst, and oxygen as a green oxidant to provide a mild route with a broad substrate scope for the formation of potentially bioactive 3‐substituted benzothiophene derivatives in good yields.
Oxidative Coupling with S–N Bond Formation
Authors: Mulina Olga M. , Ilovaisky Alexey I. , Terent'ev Alexander O.
Published: July 2018

Oxidative strategies are a powerful tool in organic synthesis for the formation of heteroatom–heteroatom, carbon–heteroatom, and carbon–carbon bonds. Among these processes the reactions of oxidative S–N bond formation deserve considerable interest as convenient, effective, and environmentally friendly alternatives to existing methods for the synthesis of a great variety of organic compounds widely used in organic and medicinal chemistry. These transformations take place through the interaction of S‐ and N‐reagents and an oxidant, by radical or ionic mechanisms. Sulfinic acids and their salts, thiols, sulfonyl hydrazides, and thiosulfonates are generally used as S‐reagents; aliphatic and aromatic amines are usually applied as N‐reagents. The role of the oxidant mostly lies in the oxidation of the S‐reagent, after which the formed active species reacts with the N‐reagent to result in the S–N coupling product. There are two versions of oxidative S–N coupling processes: the intermolecular variant opens simple pathways to sulfen‐, sulfin‐, and sulfonamides, sulfenyl‐ and sulfoximines, sulfanes, and sulfur diimides, whereas the intramolecular one leads to the formation of various heterocycles. Of the major problems associated with successful performance of oxidative S–N coupling reactions, the first relates to the search for coupling partners that will work together to form a new bond under oxidative conditions. The second is the choice of a suitable oxidative system that will not overoxidize starting compounds. That is why mild oxidants, such as hypervalent iodine compounds and copper salts and complexes, are generally applied in these processes. This is the first exhaustive review relating to achievements in oxidative transformations involving S–N bond formation. It summarizes 134 references, mainly from 2000 to 2018, and is divided into chapters according to the classes of compounds synthesized.
Aldehyde Reduction by a Pyridone Borane Complex through Boron‐Ligand‐Cooperation: Concerted or Not?
Authors: Müller Tizian , Hasenbeck Max , Becker Jonathan , Gellrich Urs
Published: July 2018

The reduction of benzaldehyde by a pyridone borane complex was investigated by NMR, X‐ray analysis as well as DFT and DLPNO‐CCSD(T) computations. The reaction leads to the formation of a pyridone boronic ester complex stabilized by an NH···O hydrogen bond. The computations show that the hydrogenation takes place in a concerted fashion, yielding a transient benzyl alcohol boroxypyridine complex that undergoes a barrierless O–H addition. The concerted hydrogen transfer is associated with a transformation of a pyridone borane to a boroxypyridine, and thus with the interconversion of a neutral donor ligand to a covalently bound substituent.
A high accuracy and efficiency indoor positioning system with visible light communication
Authors: Ma Yi‐Wei , Chen Jiann‐Liang , Chen Zheng‐Zhun
Published: July 2018

Positioning technology is important to the development of location‐based services. This work proposes a highly accurate and efficient indoor positioning system that uses visible light communication technology. The system uses a fingerprinting positioning mechanism that is based on a mobile device. A dynamic k‐NN (DKNN) mechanism is developed to improve upon k‐nearest neighbor (k‐NN) positioning, which is based on fingerprinting. This work also proposes an integrated angle of arrival (AOA) and fingerprinting mechanism for three‐dimensional positioning, which reduces the time that would otherwise be required for fingerprinting training and improves the accuracy of the indoor positioning system. When used for fixed‐height two‐dimensional positioning, the mean error distance of the DKNN fingerprinting positioning mechanism is approximately 0.15 cm. The AOA mean error distance is approximately 11.43 cm. The traditional k‐NN mean error distance is approximately 1.47 cm. Ignoring the height error, the integrated AOA and fingerprinting positioning mechanisms have a mean error distance of approximately 2.43 cm; the traditional AOA mean error distance is approximately 11.10 cm, and the fingerprinting mean error distance is approximately 2.74 cm. When the height error is considered, the AOA and fingerprinting fusion positioning mechanisms have a mean error distance of approximately 2.83 cm; the AOA mean error distance is approximately 11.62 cm, and the fingerprinting mean error distance is approximately 4.15 cm. The experimental results therefore show that the proposed mechanism provides the highest positioning accuracy.
A Bayesian framework for health economic evaluation in studies with missing data
Authors: Mason Alexina J. , Gomes Manuel , Grieve Richard , Carpenter James R.
Published: July 2018

Health economics studies with missing data are increasingly using approaches such as multiple imputation that assume that the data are “missing at random.” This assumption is often questionable, as—even given the observed data—the probability that data are missing may reflect the true, unobserved outcomes, such as the patients' true health status. In these cases, methodological guidelines recommend sensitivity analyses to recognise data may be “missing not at random” (MNAR), and call for the development of practical, accessible approaches for exploring the robustness of conclusions to MNAR assumptions.

Little attention has been paid to the problem that data may be MNAR in health economics in general and in cost‐effectiveness analyses (CEA) in particular. In this paper, we propose a Bayesian framework for CEA where outcome or cost data are missing. Our framework includes a practical, accessible approach to sensitivity analysis that allows the analyst to draw on expert opinion.

We illustrate the framework in a CEA comparing an endovascular strategy with open repair for patients with ruptured abdominal aortic aneurysm, and provide software tools to implement this approach.
Long‐term effects of aquifer overdraft and recovery on groundwater quality in a Ramsar wetland: Las Tablas de Daimiel National Park, Spain
Authors: Castaño Silvino , de la Losa Almudena , Martínez‐Santos Pedro , Mediavilla Rosa , Santisteban Juan Ignacio
Published: July 2018

Las Tablas de Daimiel National Park is one of Spain's most representative groundwater‐dependent ecosystems. Under natural conditions, water inflows combined brackish surface water from River Gigüela with freshwater inputs from River Guadiana and the underlying aquifer. Since the mid‐1970s, aquifer overexploitation caused the desiccation of the wetlands and neighbouring springs. The National Park remained in precarious hydrological conditions for three decades, with the only exception of rapid floods due to extreme rainfall events and sporadic water transfers from other basins. In the late 2000s, a decrease in groundwater abstraction and an extraordinarily wet period reversed the trend. The aquifer experienced an unexpected recovery of groundwater levels (over 20 m in some areas), thus restoring groundwater discharge to springs and wetlands. The complex historical evolution of the water balance in this site has resulted in substantial changes in surface and groundwater quality. This becomes evident when comparing the pre‐1980 groundwater quality and the hydrochemical status in the wetland in two different periods, under “dry” and “wet” conditions. Although the system is close to full recovery from the groundwater‐level viewpoint, bouncing back in the major hydrochemical constituents has not yet been obtained. These still appear to evolve in response to the previous overexploitation state. Moreover, in some sectors, there are groundwater‐dependent ecosystems that remain different to those found in preoverexploitation times. The experience of Las Tablas de Damiel provides an observatory of long‐term changes in wetland water quality, demonstrating that the effects of aquifer overexploitation on aquatic ecosystems are more than a mere alteration of the water balance and that groundwater quality is the key to aquifer and aquatic ecosystem sustainability.