bluuebunny/crossref_metadata_2025 huggingface dataset:
Hardware locks for a real‐time Java chip multiprocessor
Authors: Strøm Tórur Biskopstø , Puffitsch Wolfgang , Schoeberl Martin
Published: October 2016

A software locking mechanism commonly protects shared resources for multithreaded applications. This mechanism can, especially in chip‐multiprocessor systems, result in a large synchronization overhead. For real‐time systems in particular, this overhead increases the worst‐case execution time and may void a task set's schedulability. This paper presents 2 hardware locking mechanisms to reduce the worst‐case time required to acquire and release synchronization locks. These solutions are implemented for the chip‐multiprocessor version of the Java Optimized Processor. The 2 hardware locking mechanisms are compared with a software locking solution as well as the original locking system of the processor. The hardware cost and performance are evaluated for all presented locking mechanisms. The performance of the better‐performing hardware locks is comparable with that of the original single global lock when contending for the same lock. When several noncontending locks are used, the hardware locks enable true concurrency for critical sections. Benchmarks show that using the hardware locks yields performance ranging from no worse than the original locks to more than twice their best performance. This improvement can allow a larger number of real‐time tasks to be reliably scheduled on a multiprocessor real‐time platform. Copyright © 2016 John Wiley & Sons, Ltd.
Hadamard Homonuclear Broadband Decoupled TOCSY NMR: Improved Efficacy in Detecting Long‐range Chemical Shift Correlations
Authors: Kakita Veera Mohana Rao , Hosur Ramakrishna V.
Published: October 2016

The importance of Hadamard encoding pulses in one‐dimensional pure shift yielded by the chirp excitation version of selective total correlation spectroscopy (1D PSYCHE–TOCSY) experiments is discussed for chemical‐shift analysis of complex natural products at ultrahigh resolution. Herein, we adapted HnHadamard matrices to 1D PSYCHE–TOCSY and observed an overall circa square root ofn‐fold enhancement in the signal‐to‐noise (S/N) ratio when compared to conventional 1D PSYCHE–TOCSY recorded by refocusing only one spin at a time. This enhancement in S/N facilitates the observation of very weak long‐range chemical‐shift correlations from Hadamard‐encoded PSYCHE–TOCSY (HE–PSYCHE–TOCSY). The proposed method will have a significant impact on structure determination of complex isolated/ synthetic natural products.
First Examples of de Vries‐like Smectic A to Smectic C Phase Transitions in Ionic Liquid Crystals
Authors: Kapernaum Nadia , Müller Carsten , Moors Svenja , Schlick M. Christian , Wuckert Eugen , Laschat Sabine , Giesselmann Frank
Published: October 2016

In ionic liquid crystals, the orthogonal smectic A phase is the most common phase whereas the tilted smectic C phase is rather rare. We present a new study with five novel ionic liquid crystals exhibiting both a smectic A as well as the rare smectic C phase. Two of them have a phenylpyrimidine core whereas the other three are imidazolium azobenzenes. Their phase sequences and tilt angles were studied by polarizing microscopy and their temperature‐dependent layer spacing as well as their translational and orientational order parameters were studied by X‐ray diffraction. The X‐ray tilt angles derived from X‐ray studies of the layer contraction and the optically measured tilt angles of the five ionic liquid crystals were compared to obtain their de Vries character. Four of our five mesogens turned out to show de Vries‐like behavior with a layer shrinkage that is far less than that expected for conventional materials. These materials can thus be considered as the first de Vries‐type materials among ionic liquid crystals.
Theory of Ultralong‐Range Rydberg Molecule Formation Incorporating Spin‐Dependent Relativistic Effects: Cs(6s)–Cs(np) as Case Study
Authors: Markson Samuel , Rittenhouse Seth T. , Schmidt Richard , Shaffer James P. , Sadeghpour H. R.
Published: October 2016

We calculate vibrational spectra of ultralong‐range Cs(32p) Rydberg molecules that form in an ultracold gas of Cs atoms. We account for the partial‐wave scattering of the Rydberg electrons from the Cs perturber atoms by including the full set of spin‐resolved 1,3SJ and 1,3PJ scattering phase shifts, and allow for the mixing of singlet (S=0) and triplet (S=1) spin states through Rydberg electron spin‐orbit and ground state electron hyperfine interactions. Excellent agreement with observed data in Saßmannshausen et al. [Phys. Rev. Lett. 2015, 113, 133201] in line positions and profiles is obtained. We also determine the spin‐dependent permanent electric dipole moments for these molecules. This is the first such calculation of ultralong‐range Rydberg molecules for which all of the relativistic contributions are accounted.
Genetic Risk Scores
Authors: Cooke Bailey Jessica N. , Igo Robert P.
Published: October 2016

The generation of genome‐wide variation data has become commonplace. However, the potential for interpretation and application of these data for clinical assessment of outcomes of interest, and prediction of disease risk, is currently not fully realized. Many common, complex diseases now have numerous, well‐established “risk” loci, and likely harbor many genetic determinants with effects too small to be detected at genome‐wide levels of statistical significance. A simple and intuitive approach for converting genetic data to a predictive measure of disease susceptibility is to aggregate the risk effects of these loci into a single genetic risk score. Here, some common methods and software packages for calculating genetic risk scores, with focus on studies of common, complex diseases, are described. The basic information needed as well as important considerations for constructing genetic risk scores, including specific requirements for phenotypic and genetic data, and limitations in their application is reviewed. © 2016 by John Wiley & Sons, Inc.
High‐Risk Screening of Fabry Disease: Analysis of Fifteen Urinary Methylated and Non‐Methylated Gb3 Isoforms Using Tandem Mass Spectrometry
Authors: Abaoui Mona , Boutin Michel , Lavoie Pamela , Auray‐Blais Christiane
Published: October 2016

Fabry disease is a multisystemic, X‐linked lysosomal storage disorder caused by mutations in the GLA gene, leading to α‐galactosidase A deficiency and resulting in the accumulation of glycosphingolipids in different tissues and biological fluids. Glycosphingolipid biomarkers, such as globotriaosylceramide (Gb3) isoforms, globotriaosylsphingosine (lyso‐Gb3) and related analogs, and galabiosylceramide (Ga2) isoforms and analogs, are found to be abnormally increased in urine and in plasma of Fabry patients and have the potential to be used as specific biomarkers of the disease. This unit presents a protocol for the relative quantification of fifteen urinary isoforms of Gb3 analyzed simultaneously with creatinine by ultra‐performance liquid chromatography (UPLC) coupled to tandem mass spectrometry (MS/MS). In order to purify urine samples, a liquid‐liquid extraction is performed and samples are analyzed by MS/MS in positive electrospray ionization mode. These biomarkers are useful for screening, diagnosis, and long‐term monitoring of Fabry disease patients. We have shown that the methylated Gb3 isoforms are particularly useful for screening Fabry patients who present with late‐onset cardiac variant mutations. © 2016 by John Wiley & Sons, Inc.
Phenothiazine‐Based D–A–π–A Dyes for Highly Efficient Dye‐Sensitized Solar Cells: Effect of Internal Acceptor and Non‐Conjugated π‐Spacer on Device Performance
Authors: Nagane Satyawan , Ichake Amol , Agrawal Ishita , Sadhanala Aditya , Friend Richard H. , Ogale Satishchandra , Wadgaonkar Prakash P.
Published: October 2016

Three new D–A–π–A metal‐free organic dyes based on phenothiazine as a donor (D) and non‐conjugated π‐spacer were designed and synthesized. The incorporation of different ‘internal acceptors’ (electron traps) such as benzothiadiazole (BTD), benzotriazole (BTA), and pyridine were shown to allow systematic tuning of the energy levels and the photophysical properties. The AI‐1 dye showed lower electronic disorder compared with the other two dyes. The efficiencies achieved with AI‐1, AI‐2, and AI‐3 dyes were 8.5 % (Jsc=15.42 mA cm−2, Voc=0.78 V, FF=68 %), 7 % (Jsc=12.8 mA cm−2, Voc=0.78 V, FF=68 %) and 6.7 % (Jsc=11.57 mA cm−2, Voc=0.82 V, FF=68.26 %), respectively. The incorporation of non‐conjugated phenothiazine as a π‐spacer in D–A–π–A dyes showed remarkable enhancement in the photovoltaic performance of dye‐sensitized solar cell (DSSC) devices. The sealed DSSC devices with iodide/tri‐iodide (I−/I3−)‐based liquid electrolyte showed promising stability under ambient conditions.
Novel Deleterious Dihydropyrimidine Dehydrogenase Variants May Contribute to 5‐Fluorouracil Sensitivity in an East African Population
Authors: Elraiyah T , Jerde CR , Shrestha S , Wu R , Nie Q , Giama NH , Sarangi V , Roberts LR , Offer SM , Diasio RB
Published: October 2016

Clinical studies have identified specific genetic variants in dihydropyrimidine dehydrogenase (DPD; DPYD gene) as predictors of severe adverse toxicity to the commonly used chemotherapeutic 5‐fluorouracil (5‐FU); however, these studies have focused on European and European‐American populations. Our laboratory recently demonstrated that additional variants in non‐European haplotypes are predictive of 5‐FU toxicity. The objective of this study was to identify potential risk variants in an understudied East African population relevant to our institution's catchment area. The DPYD protein‐coding region was sequenced in 588 individuals of Somali or Kenyan ancestry living in central/southeast Minnesota. Twelve novel nonsynonymous variants were identified, seven of which significantly decreased DPD activity in vitro. The commonly reported toxicity‐associated variants, *2A, D949V, and I560S, were not detected in any individuals. Overall, this study demonstrates a critical limitation in our knowledge of pharmacogenetic predictors of 5‐FU toxicity, which has been based on clinical studies conducted in populations of limited diversity.
A methodology to design continuous‐time adaptive equalizers
Authors: Sánchez‐Azqueta C. , Gimeno C. , Aguirre J. , Aldea C. , Celma S.
Published: October 2016

Serial communications systems suffer from channel bandwidth limitations that result in eye closure and inter‐symbol interference. Adaptive equalization at the receiver is widely implemented to alleviate this, and a number of continuous‐time techniques aiming multi‐gigabit operation have been proposed. The operation of adaptive equalizers is based on signal filtering carried out by loop filters whose characteristics are usually given ad‐hoc after a trial and error process. This paper presents a unified analysis of the operation of continuous‐time adaptive equalizers that results in a general design methodology to select the frequency characteristics of the filters implemented in the adaptation loop. Using the proposed methodology, a novel adaptation loop filter combination incorporating two low‐pass filters is presented. Copyright © 2016 John Wiley & Sons, Ltd.
The newborn human NK cell repertoire is phenotypically formed but functionally reduced
Authors: Strauss‐Albee Dara M. , Liang Emily C. , Ranganath Thanmayi , Aziz Natali , Blish Catherine A.
Published: October 2016

Background

Infection is a leading cause of death worldwide in babies under 1 month of age. Better vaccines and therapeutics are desperately needed for this vulnerable population.

Methods

Because newborns rely heavily on the innate immune system, we evaluated cell phenotype and function of some of the earliest cellular responders during infection, natural killer (NK) cells. We used mass cytometry to provide a comprehensive comparison of NK cells from umbilical cord blood and adult peripheral blood.

Results

In unsupervised analyses, including viSNE and principal component analysis, the structure of the cord blood and adult NK cell repertoires are highly similar, distinguishable mainly by maturity‐related markers expressed on rare subpopulations of cells. However, in functional analyses, cord blood NK cells show reduced degranulation and cytokine production following target recognition, as well as antibody‐dependent cell‐mediated cytotoxicity and apoptosis induction in targets.

Conclusions

These findings show that the structure of the NK cell repertoire is intact at birth, suggesting great potential for vaccine and therapeutic strategies targeting this cell population. © 2016 International Clinical Cytometry Society
Improving reliability performance of diffusion‐based molecular communication with adaptive threshold variation algorithm
Authors: He Peng , Mao Yuming , Liu Qiang , Yang Kun
Published: October 2016

Reliability is a vital issue in the area of communication. In this paper, we particularly investigate the reliability issue for diffusion‐based molecular communication. First, we present the communication process in system model, where a classified model is further developed at the side of receiver to divide received molecules into signal, inter‐symbol interference, and noise branches. The classified model is used to prove the feasibility and necessity of improving the reliability performance. Second, an adaptive threshold variation (ATV) algorithm is designed to be able to improve the reliability performance that enables the receiver to adapt the channel condition properly through learning process. Furthermore, the complexity of ATV and the performance in various noisy conditions are discussed. An expression of signal to interference plus noise ratio is defined in numerical simulation to verify our goal with variational parameters, as well as with the adoption of ATV algorithm. The results indicate that ATV algorithm works well in general case in improving reliability performance for diffusion‐based molecular communication.
A non‐biased trust model for wireless mesh networks
Authors: Tan Heng Chuan , Ma Maode , Labiod Houda , Chong Peter Han Joo , Zhang Jun
Published: October 2016

Trust models that rely on recommendation trusts are vulnerable to badmouthing and ballot‐stuffing attacks. To cope with these attacks, existing trust models use different trust aggregation techniques to process the recommendation trusts and combine them with the direct trust values to form a combined trust value. However, these trust models are biased as recommendation trusts that deviate too much from one's own opinion are discarded. In this paper, we propose a non‐biased trust model that considers every recommendation trusts available regardless they are good or bad. Our trust model is based on a combination of 2 techniques: the dissimilarity test and the Dempster‐Shafer Theory. The dissimilarity test determines the amount of conflict between 2 trust records, whereas the Dempster‐Shafer Theory assigns belief functions based on the results of the dissimilarity test. Numerical results show that our trust model is robust against reputation‐based attacks when compared to trust aggregation techniques such as the linear opinion pooling, subjective logic model, entropy‐based probability model, and regression analysis. In addition, our model has been extensively tested using network simulator NS‐3 in an Infrastructure‐based wireless mesh networks and a Hybrid‐based wireless mesh networks to demonstrate that it can mitigate blackhole and grayhole attacks.
Coexistence of DTV and TV white space systems
Authors: Foo Yee‐Loo , Takada Jun‐ichi
Published: October 2016

It is foreseeable that in near future, heterogeneous TV white space (TVWS) systems will operate in underused TV bands. Potential interference between TVWS systems and digital TV (DTV) broadcast system is a major concern. These TVWS systems need to maintain from the DTV service boundary some keep‐out distances dk, which vary depending on circumstances. This work provides a comprehensive analysis on dk for different TVWS devices that operate on co‐ and adjacent channels, based on 2 different protection criteria for DTV service, using 4 different propagation models (each suits different propagation environment) for estimating dk. In brief, this article contributes to the mathematical technique of determining dk under different circumstances. On the basis of the conditions chosen for the analysis, we come up with some recommendations for dk. Moreover, we share our opinions on some regulatory requirements for dk. The strictness of the regulatory requirement in this matter is important because when it is appropriately set, it can actually promote further development and expansion of TVWS technologies.
Ovarian clear cell carcinoma with plasma cell‐rich inflammatory stroma
Authors: Shintaku Masayuki , Dohi Makoto , Yamamoto Yoshihiro , Nagai Aya , Higuchi Toshihiro
Published: October 2016

We report a case of clear cell carcinoma (CCC) of the ovary with plasma cell‐rich inflammatory stroma, a recently proposed subtype of CCC, and present the cytological findings. The patient was a 48‐year‐old woman, who was incidentally found to have a right ovarian tumor during the preoperative work‐up for an early‐stage adenocarcinoma of the uterine cervix. Cytological examination of an imprint smear of the ovarian tumor and peritoneal washing revealed solid cell clusters of irregular, often dendritic shapes, which were intermingled with many inflammatory cells. “Raspberry bodies” were not found. Histopathological examination of the extirpated ovarian tumor showed the features of CCC with plasma cell‐rich inflammatory stroma. This subtype of ovarian CCC poses cytological and histological diagnostic problems, and its differentiation from dysgerminoma is often difficult, because it mostly lacks the hyaline or mucoid stroma. Irregularly shaped clusters of large polyhedral cells, coarsely clumped nuclear chromatin, and plasma cell‐rich inflammatory infiltrates suggest CCC, but the cytological differences between dysgerminoma and CCC are often subtle, and immunohistochemical examinations for cytokeratin 7 or epithelial membrane antigen may be necessary. Diagn. Cytopathol. 2017;45:128–132. © 2016 Wiley Periodicals, Inc.
Identifying congruence in stream assemblage thresholds in response to nutrient and sediment gradients for limit setting
Authors: Wagenhoff Annika , Clapcott Joanne E. , Lau Kelvin E. M. , Lewis Gillian D. , Young Roger G.
Published: October 2016

The setting of numeric instream objectives (effects‐based criteria) and catchment limits for major agricultural stressors, such as nutrients and fine sediment, is a promising policy instrument to prevent or reduce degradation of stream ecosystem health. We explored the suitability of assemblage thresholds, defined as a point at which a small increase in a stressor will result in a disproportionally large change in assemblage structure relative to other points across the stressor gradient, to inform instream nutrient and sediment objectives. Identification and comparison of thresholds for macroinvertebrate, periphyton, and bacterial assemblages aimed at making the setting of objectives more robust and may further provide a better understanding of the underlying mechanisms of nutrient and fine sediment effects. Gradient forest, a novel approach to assemblage threshold identification based on regression‐tree‐based random forest models for individual taxa, allowed inclusion of multiple predictors to strengthen the evidence of cause and effect between stressors and multispecies responses. The most prominent macroinvertebrate and periphyton assemblage threshold across the nitrogen (N) gradient was located at very low levels and mainly attributed to declines of multiple taxa. This provided strong evidence for stream assemblages being significantly affected when N concentrations exceed reference conditions and for effects cascading through the ecosystem. The most prominent macroinvertebrate assemblage threshold across a gradient of suspended fine sediment was also located at very low levels and attributed to declines of multiple taxa. However, this threshold did not correspond with periphyton assemblage thresholds, suggesting that the sensitivity of macroinvertebrate assemblages is unrelated to sediment effects on periphyton assemblages. Overall, the spectrum of N concentrations and fine sediment levels within which these stream assemblages changed most dramatically were relatively narrow given the wide gradients tested. We conclude that assemblage thresholds can inform the setting of generic instream nutrient and sediment objectives for stream ecosystem health. For example, the most stringent objective for instream N concentration should be set at values similar to reference concentrations for full protection of sensitive taxa or overall stream biodiversity. To avoid severe degradation of stream biodiversity, the least stringent N objective should stay well below the point where significant turnover subsided.
Comparative analyses of flower scent inSileneaereveal a contrasting phylogenetic signal between night and day emissions
Authors: Prieto‐Benítez Samuel , Millanes Ana M. , Dötterl Stefan , Giménez‐Benavides Luis
Published: October 2016

Flower scents are complex blends of volatile compounds often shaped by selection pressures exerted by mutualistic and antagonistic interaction partners, but also by phylogenetic constraints. So far, little is known about the relative effect of selection and phylogenetic signal on scent patterns, and no study to date analyzed the phylogenetic signal in multivariate semiquantitative scent patterns. We analyzed the phylogenetic signal in qualitative and semi‐quantitative patterns of flower scents in 47 Sileneae (Caryophyllaceae) species using phylogenetic principal component analysis (pPCA) and several indices of univariate and multivariate phylogenetic signal. As previous results showed that Sileneae species are visited by diurnal and nocturnal pollinators and flower scents also vary along the day, we compared the phylogenetic signal between night and day. MultivariatepPCAanalyses identified compounds that correlate with the phylogeny at both night and day; however, multivariate Bloomberg′s K detected phylogenetic signal in the dataset of night scents, but not of day scents. In multivariate qualitative datasets, phylogenetic signal was neither found for day nor for night scents. In univariate analyses, phylogenetic signal was detected for some compounds both for day and night scents. Overall, we found that the phylogenetic signal is stronger in night compared to day scents, which might be owed to the different guilds of pollinators at day and night. At day, the phylogenetic resemblance of Sileneae scents might be masked by or disappear due to divergent selective pressures exerted by a diverse guild of pollinators on the different species. In contrast, we hypothesize that the nocturnal moth pollinators exert similar selective pressures; thus, the phylogenetic similarity of scent profiles might be conserved. Future studies of scent phylogenetic signal must consider not only the usage of qualitative measures but also semiquantitative analyses.
Multiple transisthmian divergences, extensive cryptic diversity, occasional long‐distance dispersal, and biogeographic patterns in a marine coastal isopod with an amphi‐American distribution
Authors: Hurtado Luis A. , Mateos Mariana , Mattos Gustavo , Liu Shuang , Haye Pilar A. , Paiva Paulo C.
Published: October 2016

Excirolana braziliensis is a coastal intertidal isopod with a broad distribution spanning the Atlantic and Pacific tropical and temperate coasts of the American continent. Two separate regional studies (one in Panama and one in Chile) revealed the presence of highly genetically divergent lineages, implying that this taxon constitutes a cryptic species complex. The relationships among the lineages found in these two different regions and in the rest of the distribution, however, remain unknown. To better understand the phylogeographic patterns of E. braziliensis, we conducted phylogenetic analyses of specimens from much of its entire range. We obtained DNA sequences for fragments of four mitochondrial genes (16S rDNA, 12S rDNA, COI, and Cytb) and also used publicly available sequences. We conducted maximum likelihood and Bayesian phylogenetic reconstruction methods. Phylogeographic patterns revealed the following: (1) new highly divergent lineages of E. braziliensis; (2) three instances of Atlantic–Pacific divergences, some of which appear to predate the closure of the Isthmus of Panama; (3) the distributional limit of highly divergent lineages found in Brazil coincides with the boundary between two major marine coastal provinces; (4) evidence of recent long‐distance dispersal in the Caribbean; and (5) populations in the Gulf of California have closer affinities with lineages further south in the Pacific, which contrasts with the closer affinity with the Caribbean reported for other intertidal organisms. The high levels of cryptic diversity detected also bring about challenges for the conservation of this isopod and its fragile environment, the sandy shores. Our findings underscore the importance of comprehensive geographic sampling for phylogeographic and taxonomical studies of broadly distributed putative species harboring extensive cryptic diversity.
Glacial refugia and postglacial expansion of the alpine–prealpine plant species Polygala chamaebuxus
Authors: Windmaißer Tobias , Kattari Stefan , Heubl Günther , Reisch Christoph
Published: October 2016

The shrubby milkwort (Polygala chamaebuxus L.) is widely distributed in the Alps, but occurs also in the lower mountain ranges of Central Europe such as the Franconian Jura or the Bohemian uplands. Populations in these regions may either originate from glacial survival or from postglacial recolonization. In this study, we analyzed 30 populations of P. chamaebuxus from the whole distribution range using AFLP (Amplified Fragment Length Polymorphism) analysis to identify glacial refugia and to illuminate the origin of P. chamaebuxus in the lower mountain ranges of Central Europe. Genetic variation and the number of rare fragments within populations were highest in populations from the central part of the distribution range, especially in the Southern Alps (from the Tessin Alps and the Prealps of Lugano to the Triglav Massiv) and in the middle part of the northern Alps. These regions may have served, in accordance with previous studies, as long‐term refugia for the glacial survival of the species. The geographic pattern of genetic variation, as revealed by analysis of molecular variance, Bayesian cluster analysis and a PopGraph genetic network was, however, only weak. Instead of postglacial recolonization from only few long‐term refugia, which would have resulted in deeper genetic splits within the data set, broad waves of postglacial expansion from several short‐term isolated populations in the center to the actual periphery of the distribution range seem to be the scenario explaining the observed pattern of genetic variation most likely. The populations from the lower mountain ranges in Central Europe were more closely related to the populations from the southwestern and northern than from the nearby eastern Alps. Although glacial survival in the Bohemian uplands cannot fully be excluded, P. chamaebuxus seems to have immigrated postglacially from the southwestern or central‐northern parts of the Alps into these regions during the expansion of the pine forests in the early Holocene.
Both natural selection and isolation by distance explain phenotypic divergence in bill size and body mass between South Australian little penguin colonies
Authors: Colombelli‐Négrel Diane
Published: October 2016

Morphological variation between populations of the same species can arise as a response to genetic variation, local environmental conditions, or a combination of both. In this study, I examined small‐scale geographic variation in bill size and body mass in little penguins (Eudyptula minor) across five breeding colonies in South Australia separated by <150 km. To help understand patterns driving the differences, I investigated these variations in relation to environmental parameters (air temperature, sea surface temperature, and water depth) and geographic distances between the colonies. I found substantial morphological variation among the colonies for body mass and bill measurements (except bill length). Colonies further located from each other showed greater morphological divergence overall than adjacent colonies. In addition, phenotypic traits were somewhat correlated to environmental parameters. Birds at colonies surrounded by hotter sea surface temperatures were heavier with longer and larger bills. Birds with larger and longer bills were also found at colonies surrounded by shallower waters. Overall, the results suggest that both environmental factors (natural selection) and interpopulation distances (isolation by distance) are causes of phenotypic differentiation between South Australian little penguin colonies.
Population genetic structure, differentiation, and diversity in Tetrix subulata pygmy grasshoppers: roles of population size and immigration
Authors: Tinnert Jon , Hellgren Olof , Lindberg Jenny , Koch‐Schmidt Per , Forsman Anders
Published: October 2016

Genetic diversity within and among populations and species is influenced by complex demographic and evolutionary processes. Despite extensive research, there is no consensus regarding how landscape structure, spatial distribution, gene flow, and population dynamics impact genetic composition of natural populations. Here, we used amplified fragment length polymorphisms (AFLPs) to investigate effects of population size, geographic isolation, immigration, and gene flow on genetic structure, divergence, and diversity in populations of Tetrix subulata pygmy grasshoppers (Orthoptera: Tetrigidae) from 20 sampling locations in southern Sweden. Analyses of 1564 AFLP markers revealed low to moderate levels of genetic diversity (PPL = 59.5–90.1; Hj = 0.23–0.32) within and significant divergence among sampling localities. This suggests that evolution of functional traits in response to divergent selection is possible and that gene flow is restricted. Genetic diversity increased with population size and with increasing proportion of long‐winged phenotypes (a proxy of recent immigration) across populations on the island of Öland, but not on the mainland. Our data further suggested that the open water separating Öland from the mainland acts as a dispersal barrier that restricts migration and leads to genetic divergence among regions. Isolation by distance was evident for short interpopulation distances on the mainland, but gradually disappeared as populations separated by longer distances were included. Results illustrate that integrating ecological and molecular data is key to identifying drivers of population genetic structure in natural populations. Our findings also underscore the importance of landscape structure and spatial sampling scheme for conclusions regarding the role of gene flow and isolation by distance.
Quantifying mortality of modular organisms: a comparison of partial and whole‐colony mortality in a colonial bryozoan
Authors: Denley Danielle , Metaxas Anna
Published: October 2016

Comprehensive studies on the population dynamics of colonial organisms require estimates of mortality from the level of the individual module (partial mortality) to the entire colony (whole‐colony mortality), as well as determining the factors that affect mortality at each level of organization. However, accurate measurements of whole‐colony and partial mortality of modular organisms can be difficult to obtain, and few studies involve concurrent measurements of modular and colony mortality. We implemented multiple approaches to measure whole‐colony and partial mortality of modular species using the colonial bryozoan Membranipora membranacea as a model organism. M. membranacea is a cosmopolitan species and of particular ecological significance in the northwest Atlantic, where it is the dominant epiphyte on laminarian kelps and the main driver for the defoliation of kelp beds. Rates of whole‐colony mortality were measured in the field (1) indirectly through repeated subsampling cohort analyses and (2) directly by tagging colonies in situ. Partial mortality of colonies was measured (1) in the field by quantifying the proportion of degenerated zooids per colony and (2) in the laboratory by monitoring loss of colony surface area during seasonal senescence of colonies over winter. Temporal patterns differed substantially between partial and whole‐colony mortality, suggesting that factors affecting mortality of individual modules differ from those affecting whole colonies. Our study indicated that the accuracy of common methods for measuring mortality of modular organisms depends on the species‐specific life‐history characteristics. However, we suggest that rates and mechanisms of whole‐colony and partial mortality can be most accurately quantified by revisiting tagged individuals in situ and recording loss of entire colonies (whole‐colony mortality) and loss of living colony area (partial mortality) between successive sampling times. For M. membranacea, measuring whole‐colony or partial mortality in isolation would overestimate important demographic rates and underestimate the influence of temperature on mortality, respectively. This study demonstrates the need to include mortality measurements from the level of the individual module to the entire colony when quantifying population dynamics of colonial organisms.
Predicting animal home‐range structure and transitions using a multistate Ornstein‐Uhlenbeck biased random walk
Authors: Breed Greg A. , Golson Emily A. , Tinker M. Tim
Published: October 2016

The home‐range concept is central in animal ecology and behavior, and numerous mechanistic models have been developed to understand home range formation and maintenance. These mechanistic models usually assume a single, contiguous home range. Here we describe and implement a simple home‐range model that can accommodate multiple home‐range centers, form complex shapes, allow discontinuities in use patterns, and infer how external and internal variables affect movement and use patterns. The model assumes individuals associate with two or more home‐range centers and move among them with some estimable probability. Movement in and around home‐range centers is governed by a two‐dimensional Ornstein‐Uhlenbeck process, while transitions between centers are modeled as a stochastic state‐switching process. We augmented this base model by introducing environmental and demographic covariates that modify transition probabilities between home‐range centers and can be estimated to provide insight into the movement process. We demonstrate the model using telemetry data from sea otters (Enhydra lutris) in California. The model was fit using a Bayesian Markov Chain Monte Carlo method, which estimated transition probabilities, as well as unique Ornstein‐Uhlenbeck diffusion and centralizing tendency parameters. Estimated parameters could then be used to simulate movement and space use that was virtually indistinguishable from real data. We used Deviance Information Criterion (DIC) scores to assess model fit and determined that both wind and reproductive status were predictive of transitions between home‐range centers. Females were less likely to move between home‐range centers on windy days, less likely to move between centers when tending pups, and much more likely to move between centers just after weaning a pup. These tendencies are predicted by theoretical movement rules but were not previously known and show that our model can extract meaningful behavioral insight from complex movement data.
Leveraging constraints and biotelemetry data to pinpoint repetitively used spatial features
Authors: Brost Brian M. , Hooten Mevin B. , Small Robert J.
Published: October 2016

Satellite telemetry devices collect valuable information concerning the sites visited by animals, including the location of central places like dens, nests, rookeries, or haul‐outs. Existing methods for estimating the location of central places from telemetry data require user‐specified thresholds and ignore common nuances like measurement error. We present a fully model‐based approach for locating central places from telemetry data that accounts for multiple sources of uncertainty and uses all of the available locational data. Our general framework consists of an observation model to account for large telemetry measurement error and animal movement, and a highly flexible mixture model specified using a Dirichlet process to identify the location of central places. We also quantify temporal patterns in central place use by incorporating ancillary behavioral data into the model; however, our framework is also suitable when no such behavioral data exist. We apply the model to a simulated data set as proof of concept. We then illustrate our framework by analyzing an Argos satellite telemetry data set on harbor seals (Phoca vitulina) in the Gulf of Alaska, a species that exhibits fidelity to terrestrial haul‐out sites.
Demographical and clinicopathological characteristics in heart failure and outcome predictors: a prospective, observational study
Authors: Sajeev Chakanalil Govindan , Rajan Nair Shreetal , George Biju , Rajesh Gopalan Nair , Krishnan Mangalath Narayanan
Published: October 2016

Aims

The aims of the study were to study the demographical and clinicopathological characteristics of patients presenting with heart failure and evaluate the 1 year outcomes and to identify risk predictors if any.

Methods and results

A prospective observational study was conducted in consecutive patients of systolic heart failure. The study was divided into two parts—an initial 6 month enrolment phase followed up for 1 year for major adverse cardiovascular events. All patients were treated according to the Institutional Heart Failure Protocol. Demographical and clinicopathophysiological characteristics were studied, and results were analysed. A total of 143 patients were enrolled. The mean age of subjects was 56.4 years with male subjects constituting almost two‐thirds of the study population. The commonest aetiology of heart failure was ischemic with valvular heart disease being the commonest cause of non‐ischemic heart failure. Bendopnea, a recently described symptom of heart failure, was found in a significant number of subjects. By univariate analysis, male sex (P = 0.042) and cardiomegaly (P = 0.035) were predictors of rehospitalization, whereas the univariate predictors of mortality were ischemic aetiology (P = 0.000), age > 50 years (P = 0.007), hypertension (P = 0.012), worsening NYHA class (P = 0.003), diabetes mellitus (P = 0.009), and hypokalaemia (P = 0.006). Multivariate analysis performed showed age > 50 years [P = 0.007; OR (CI) = 13.547 (2.034–90.238)], NYHA class [P = 0.002; OR (CI) = 32.300 (3.733–276.532)], and hypokalaemia [P = 0.031; OR (CI) = 7.524 (1.208–46.862)] as significant predictors of mortality during long‐term follow‐up.

Conclusions

The study will definitely help us to throw more light in identifying risk predictors of heart failure and help in improving clinical outcomes.
Zinc‐Substituted Polyoxotungstate@amino‐MIL‐101(Al) – An Efficient Catalyst for the Sustainable Desulfurization of Model and Real Diesels
Authors: Julião Diana , Gomes Ana C. , Pillinger Martyn , Valença Rita , Ribeiro Jorge C. , de Castro Baltazar , Gonçalves Isabel S. , Cunha Silva Luís , Balula Salete S.
Published: October 2016

The zinc‐substituted polyoxotungstate [PW11Zn(H2O)O39]5– (PW11Zn) has been encapsulated within the aluminium(III) 2‐aminoterephthalate NH2‐MIL‐101(Al) metal–organic framework (MOF) either directly through a one‐pot microwave‐assisted synthesis or by an impregnation method. The resultant composite materials were characterized by elemental analysis, powder X‐ray diffraction, FTIR spectroscopy, and 31P magic‐angle spinning (MAS) NMR spectroscopy. The desulfurization of a model diesel containing three refractory organosulfur compounds (1‐benzothiophene, dibenzothiophene, and 4,6‐dimethyldibenzothiophene) was studied with the ionic liquid 1‐butyl‐3‐methylimidazolium hexafluorophosphate as an extractant, the PW11Zn@MOF composites as sulfoxidation catalysts, and aqueous H2O2 as an oxidant. The composite obtained by direct synthesis was the most efficient catalyst and led to almost complete desulfurization of the model diesel under mild conditions. Moreover, the solid catalyst could be recovered readily and recycled without significant loss of desulfurization performance. The application of this system to the treatment of a real diesel sample provided a very good sulfur removal of 83 % when combined with liquid–liquid extraction.
Solvatomagnetic Studies on Cyano‐Bridged Bimetallic Chains Based on [Mn(cyclam)]3+ and Hexacyanometallates
Authors: Nowicka Beata , Heczko Michał , Rams Michał , Reczyński Mateusz , Gaweł Bartłomiej , Nitek Wojciech , Sieklucka Barbara
Published: October 2016

Structures and solvatomagnetic properties of two 1D CN‐bridged assemblies based on the complex [Mn(cyclam)]3+ (cyclam = 1,4,8,11‐tetraazacyclotetradecane) were characterised. The isostructural {[Mn(cyclam)][Cr(CN)6]·6H2O}n (1·6H2O) and {[Mn(cyclam)][Fe(CN)6]·6H2O}n (2·6H2O) chains crystallise in the space group C2/m. When dried in air at a slightly elevated temperature the hexahydrates undergo irreversible partial dehydration to stable dihydrates 1·2H2O and 2·2H2O. The structure model of 1·2H2O proposed from the powder XRD data shows lower symmetry of the network, described by the space group P21, and a markedly different relative arrangement of the chains. The Mn–Cr chains are characterised by antiferromagnetic (AFM) exchange through the CN bridges (J = –2.8 K for 1·6H2O and –6.0 K for 1·2H2O), which was modelled by quantum Monte Carlo simulations. Together with weaker AFM Mn–Cr interactions between the chains, it leads to ferrimagnetic ordering. FM intrachain interactions (J = 4.5 K for 2·6H2O and 7.1 K for 2·2H2O) and AFM 3D ordering are observed for the Mn–Fe chains. The dehydration process in both compounds causes an increase in the strength of magnetic exchange, which reflects changes in the CN bridge geometry.
Tuning the Selectivity and Reactivity of Metal‐Substituted Polyoxometalates as Artificial Proteases by Varying the Nature of the Embedded Lewis Acid Metal Ion
Authors: Sap Annelies , Van Tichelen Leentje , Mortier Anneleen , Proost Paul , Parac‐Vogt Tatjana N.
Published: October 2016

The hydrolysis of horse heart cytochrome c (cytC) protein by two isostructural Keggin‐type polyoxometalates (POMs), (Me2NH2)10[Ce(α‐PW11O39)2] (Ce1–K2) and (Et2NH2)10[Zr(PW11O39)2] (Zr1–K2), which differ in the nature of the embedded Lewis acid metal ion, has been investigated. In the presence of Ce1–K2, selective hydrolysis of cytC was observed at the Trp60‐Lys61 and Gly78‐Thr79 peptide bonds at pH 7.4 and 37 °C. However, the isostructural Zr1–K2 exhibited a lower reactivity and different selectivity, cleaving cytC at the Asp3‐Val4, Asp51‐Ala52 and Gly78‐Thr79 peptide bonds. Different spectroscopic techniques were used to verify the molecular interactions between cytC and each metal‐substituted Keggin POM to elucidate the role of the Lewis acid metal ion in directing the selectivity of protein hydrolysis.
Implications of Guanidine Substitution on Copper Complexes as Entatic‐State Models
Authors: Hoffmann Alexander , Stanek Julia , Dicke Benjamin , Peters Laurens , Grimm‐Lebsanft Benjamin , Wetzel Alina , Jesser Anton , Bauer Matthias , Gnida Manuel , Meyer‐Klaucke Wolfram , Rübhausen Michael , Herres‐Pawlis Sonja
Published: October 2016

Invited for the cover of this issue is the group of Sonja Herres‐Pawlis from RWTH Aachen University, Germany. The cover image shows our entatic‐state model. The research described in the article is the result of strongly collaborative work of four groups within the interdisciplinary DFG Research Unit FOR1405 (“Dynamics of Electron Transfer Processes within Transition Metal Sites in Biological and Bioinorganic Systems”).
Palladium‐Catalyzed Oxidative Cyclization for the Synthesis of 2‐Alkylimidazo[5,1,2‐cd]indolizines
Authors: Ghosh Sanjay Kumar , Ghosh Debalina , Maitra Ratnava , Kuo Ya‐Ting , Lee Hon Man
Published: October 2016

An effective palladium‐catalyzed direct arylation of 2‐alkyl‐imidazo[1,2‐a]pyridine with alkynes towards imidazo[5,1,2‐cd]indolizines through double C–H functionalization was developed. The catalyst system is an ionic palladium(II) complex bearing amido‐functionalized N‐heterocyclic carbene and triphenylphosphine ligands. A mere 2.5 mol‐% loading of palladium was sufficient for catalyzing the reactions. Copper acetate and n‐tetrabutylammonium bromide were employed as oxidant and phase‐transfer catalyst, respectively. Beside imidazo[1,2‐a]pyridine, desirably, less electron‐rich derivatives could be employed as coupling partners. Also a wide range of diarylalkynes was used. The structure of one 2‐alkyl‐imidazo[5,1,2‐cd]indolizine was established by single‐crystal X‐ray diffraction analysis. UV and PL spectra of the compounds confirmed that some are highly fluorescent. The method provides an easy synthetic route for the preparation of these new fluorescent materials.
Regioselective Arylative Ring‐Closing Reaction of 2‐Alkynylphenyl Derivatives: Formation of Arylated Benzoxazin‐2‐ones, Benzoxazin‐2‐amines and 2,3‐Disubstituted Indoles
Authors: Minami Hideki , Kanayama Takuya , Tanaka Reishi , Okamoto Noriko , Sueda Takuya , Yanada Reiko
Published: October 2016

Copper‐catalysed arylative ring‐closing reactions of 2‐alkynylphenylcarbamates and 2‐alkynylphenylureas with diaryliodonium salts gave C,N‐double‐arylated benzoxazin‐2‐ones and C‐arylated benzoxazin‐2‐amines, respectively, both bearing fully substituted exocyclic olefins. On the other hand, the palladium‐catalysed arylative ring‐closing reaction of 2‐alkynylphenylcarbamates gave C‐arylated 2,3‐disubstituted indoles.
Effect of medical cannabis on thermal quantitative measurements of pain in patients with Parkinson's disease
Authors: Shohet A. , Khlebtovsky A. , Roizen N. , Roditi Y. , Djaldetti R.
Published: October 2016

Background

Cannabis can alleviate pain of various etiologies. This study assessed the effect of cannabis on motor symptoms and pain parameters in patients with Parkinson's disease (PD).

Methods

Twenty patients with PD who were licensed to use cannabis underwent evaluation before and 30 min after cannabis consumption and again after long‐term use. Motor function was assessed with the Unified PD Rating scale (UPDRS) by two raters, one blinded. Pain was assessed with the Pain Rating Index (PRI) and Visual Analogue Scale (VAS) of the short‐form McGill Pain Questionnaire. Thermal quantitative sensory testing (QST) was performed in 18 patients. The two consecutive QST measurements were validated in 12 cannabis‐naïve patients with PD.

Results

There was a significant decrease from baseline to 30 min after cannabis consumption in mean motor UPDRS score (38.1 ± 18 to 30.4 ± 15.6, p < 0.0001), total PRI (27 ± 13.5 to 9.7 ± 11, p = 0.001), and VAS score (6.4 ± 2.8 to 3.6 ± 3.1, p = 0.0005). Mean cold pain threshold decreased significantly in the more affected limb, but only after exclusion of two patients who consumed cannabis by vaporizer rather than smoking (19.5 ± 5.2 to 15.6 ± 8.7 °C, p = 0.02). After long‐term (median 14 weeks) exposure, mean heat pain threshold decreased significantly in the more affected limb in all treated patients (43.6 ± 3.5 to 40.9 ± 3.3 °C, p = 0.05) and in cannabis smokers (43.7 ± 3.6 to 40.3 ± 2.5 °C, p = 0.008).

Conclusions

Cannabis improved motor scores and pain symptoms in PD patients, together with a dissociate effect on heat and cold pain thresholds. Peripheral and central pathways are probably modulated by cannabis.

Significance

Quantitative sensory test results are significantly altered following cannabis consumption in patients with PD. Cannabis probably acts on pain in PD via peripheral and central pathways.