bluuebunny/crossref_metadata_2025 huggingface dataset:
A Density Functional Theory Study on the Ligand Substitution Mechanism of a Square Planar Pd Complex
Authors: Park Ji Eun , Kang Youn Kyung
Published: June 2016

The mechanisms of ligand substitution reactions of PdCl2
(CH3CN)2 with PPh3
and P(OPh)3 ligands were investigated by computational calculations using density functional theory (DFT). Contrary to the conventional associative mechanism of a 16‐electron Pd complex, substitutions of two acetonitrile ligands in PdCl2
(CH3CN)2 with PPh3
or P(OPh)3 adopt dissociative pathways. The first PdCl2
(CH3CN)2 + PPh3
 → PdCl2
(CH3CN)(PPh3
) + CH3CN step takes I
d mechanism and the following PdCl2
(CH3CN)(PPh3
) → PdCl2
(PPh3
)2 + CH3CN step does D mechanism. The overall free energy barriers (ΔG
max
‡) of two separate steps were 26.4 and 20.4 kcal/mol, respectively. Similar reaction with P(OPh)3 ligands takes D mechanism for both first and second substitutions with ΔG
max
‡ values of 30.3 and 21.0 kcal/mol, respectively.
Structure, Dynamics, and Phase Behavior of DOPC/DSPC Mixture Membrane Systems: Molecular Dynamics Simulation Studies
Authors: Kim Seonghan , Chang Rakwoo
Published: June 2016

Full atomistic molecular dynamics simulations have been performed for model mixture bilayer membrane systems consisting of 1,2‐dioleoyl‐sn‐glycero‐3‐phosphocholine (DOPC) and 1,2‐distearoyl‐sn‐glycero‐3‐phosphocholine (DSPC) phospholipids to understand the effects of two essential parameters such as lipid composition and temperature on the structural, dynamical, and phase behavior of mixture membrane systems. Although pure DSPC membranes are in the gel‐like (L
β
′ or P
β
′) phase at 323 K, raising the temperature by only 10 K or replacing 20% of DSPC lipids by DOPC lipids can change the gel‐like phase into the completely liquid‐crystalline phase (L
α
). This phase change is accompanied by dramatic change in both structural properties such as area per lipid, membrane thickness, deuterium order parameter, and tail angle distribution, and dynamics properties such as mobility map. We also observe that the full width at half‐maximum (FWHM) data of tail angle distribution as well as area per lipid (or membrane thickness) can be used as order parameters for the membrane phase transition.
Embedding responsible conduct in learning and research into an Australian undergraduate curriculum
Authors: Fernandes Lynette B
Published: June 2016

Responsible conduct in learning and research (RCLR) was progressively introduced into the pharmacology curriculum for undergraduate science students at The University of Western Australia. In the second year of this undergraduate curriculum, a lecture introduces students to issues such as the use of animals in teaching and responsible conduct of research. Third year student groups deliver presentations on topics including scientific integrity and the use of human subjects in research. Academic and research staff attending these presentations provide feedback and participate in discussions. Students enrolled in an optional capstone Honours year complete an online course on the responsible conduct of research and participate in an interactive movie. Once RCLR became established in the curriculum, a survey of Likert‐scaled and open‐ended questions examined student and staff perceptions. Data were expressed as Approval (% of responses represented by Strongly Agree and Agree). RCLR was found to be relevant to the study of pharmacology (69–100% Approval), important for one's future career (62–100% Approval), and stimulated further interest in this area (32–75% Approval). Free entry comments demonstrated the value of RCLR and constructive suggestions for improvement have now been incorporated. RCLR modules were found to be a valuable addition to the pharmacology undergraduate curriculum. This approach may be used to incorporate ethics into any science undergraduate curriculum, with the use of discipline‐specific topics. © 2016 by The International Union of Biochemistry and Molecular Biology, 45(1):53–59, 2017.
Oncologists' perceived barriers to an expanded role for primary care in breast cancer survivorship care
Authors: Neuman Heather B. , Jacobs Elizabeth A. , Steffens Nicole M. , Jacobson Nora , Tevaarwerk Amye , Wilke Lee G. , Tucholka Jennifer , Greenberg Caprice C.
Published: June 2016

Concern exists about the sustainability of traditional, oncologist‐led models of breast cancer survivorship care. However, many oncologists are hesitant about deferring survivorship care to primary care providers (PCPs). Our objective was to examine oncologists' perceptions of the role PCPs play in breast cancer survivorship and the rationale underlying these perceptions. One‐on‐one interviews with medical, radiation, and surgical oncologists in Wisconsin were conducted (n = 35) and transcribed. Data analysis was performed using an inductive approach to content analysis. Oncologist‐perceived barriers included: PCP's level of experience with cancer care; Lack of PCP comfort in providing survivorship care; Existing demands on PCPs' time; Patient preference for oncology‐led survivorship care. Oncologists described familiarity and trust in individual PCPs as factors that could mitigate barriers and lead to increased PCP involvement in survivorship care. Although a number of perceived barriers to PCP participation in survivorship were identified by Wisconsin oncologists, our findings support the direction of ongoing initiatives to facilitate PCP involvement. Our findings also suggest that early PCP involvement in survivorship may increase PCP comfort and patients' trust in PCPs in this role. The identified barrier most challenging to address may be the limited capacity of the current primary care system to manage follow‐up for breast cancer survivors.
An fMRI study of advertising appeals and their relationship to product attractiveness and buying intentions
Authors: Chang Hyo Jung (Julie) , O'Boyle Michael , Anderson Ronald C. , Suttikun Chompoonut
Published: June 2016

This study examines the effects of various visual apparel advertisements on consumers' brain activation during exposure to different types of advertising appeals (i.e., celebrity, non‐celebrity, and rational). The influence on consumer perceptions of products and their subsequent buying intentions are also measured. A repeated measures experimental design was employed, and the total of 27 right‐handed female subjects participated in the study. The results of the quantitative data showed significant differences in perceived product attractiveness for each of the three types of advertising appeals, but not in buying intentions. Regarding the fMRI results, our findings support the notion that celebrity advertising appeals are associated with heightened brain activation of memory‐related/retrieval regions, reflecting how consumers remember the ad and are influenced by the attractiveness of the source. Non‐celebrity advertising appeals were more closely associated with brain activation of regions thought to mediate self‐reflection and also engaging executive functions. For rational advertising appeals, our findings showed significant activation in brain areas associated with logical evaluative decision making reflecting more logical processing value assessments and reward potential. Therefore, retailers/marketers must be particularly mindful to match the appropriate advertising appeal to the specific purpose of the advertisement. This study also provides brain‐based insight into the effectiveness of different types of advertising appeals and whether or not they have the desired impact on the consumer. Copyright © 2016 John Wiley & Sons, Ltd.
Sequence‐Specific DNA Photosplitting of Crosslinked DNAs Containing the 3‐Cyanovinylcarbazole Nucleoside by Using DNA Strand Displacement
Authors: Nakamura Shigetaka , Kawabata Hayato , Fujimoto Kenzo
Published: June 2016

An oligodeoxynucleotide (ODN) containing the ultrafast reversible 3‐cyanovinylcarbazole (CNVK) photo‐crosslinker was photo‐crosslinked to a complementary strand upon exposure to 366 nm irradiation and photosplit by use of 312 nm irradiation. In this paper we report that the photoreaction of CNVK on irradiation at 366 nm involves a photostationary state and that its reaction can be controlled by temperature. Guided by this new insight, we proposed and have now demonstrated previously unknown photosplitting of CNVK aided by DNA strand displacement as an alternative to heating. The photo‐crosslinked double‐stranded DNA (dsDNA) underwent >80 % photosplitting aided by DNA strand displacement on irradiation at 366 nm without heating. In this photosplitting based on DNA strand displacement, the relative thermal stability of the invader strand with respect to the template strands plays an important role, and an invader strand/template strand system that is more stable than the passenger strand/template strand system induces photosplitting without heating. This new strand‐displacement‐aided photosplitting occurred in a sequence‐specific manner through irradiation at 366 nm in the presence of an invader strand.
Combined effects of proinflammatory cytokines and intermittent cyclic mechanical strain in inhibiting osteogenicity in human periodontal ligament cells
Authors: Sun Chaofan , Chen Lijiao , Shi Xinlian , Cao Zhensheng , Hu Bibo , Yu Wenbin , Ren Manman , Hu Rongdang , Deng Hui
Published: June 2016

Mechanical strain plays an important role in bone formation and resorption during orthodontic tooth movement. The mechanism has not been fully studied, and the process becomes complex with increased amounts of periodontal patients seeking orthodontic care. Our aims were to elucidate the combined effects of proinflammatory cytokines and intermittent cyclic strain (ICS) on the osteogenic capacity of human periodontal ligament cells. Cultured human periodontal ligament cells were exposed to proinflammatory cytokines (interleukin‐1β 5 ng/mL and tumor necrosis factor‐α 10 ng/mL) for 1 and 5 days, and ICS (0.5 Hz, 12% elongation) was applied for 4 h per day. The autocrine of inflammatory cytokines was measured by enzyme‐linked immunosorbent assay. The expression of osteoblast markers runt‐related transcription factor 2 and rabbit collagen type I was determined using real‐time polymerase chain reaction and Western blot. The osteogenic capacity was also detected by alkaline phosphatase (ALP) staining, ALP activity, and alizarin red staining. We demonstrated that ICS impaired the osteogenic capacity of human periodontal ligament cells when incubated with proinflammatory cytokines, as evidenced by the low expression of ALP staining, low ALP activity, reduced alizarin red staining, and reduced osteoblast markers. These data, for the first time, suggest that ICS has a negative effect on the inductive inhibition of osteogenicity in human PDL cells mediated by proinflammatory cytokines.
Failed conservative management of a case of aplasia cutis congenita in a low‐income country
Authors: Wingi Olivier , Cappellesso Rocco , Arego Raul , Cuppini Elena , Muhelo Arlindo , Putoto Giovanni , Da Dalt Liviana , Pizzol Damiano
Published: June 2016

Key Clinical Message

Aplasia cutis congenita is a rare disease characterized by absence of skin layers. Usually the scalp is affected, but the whole body can be involved. We report extensive aplasia of a baby born of a HIV‐positive mother taking antiretroviral drugs. Conservative treatment was not enough to ensure her survival.
Sigmoid volvulus in pregnancy: case report and review of literature
Authors: Serafeimidis Costas , Waqainabete Ifereimi , Creaton Anne , Vakamacawai Esala , Kumar Ronal
Published: June 2016

Key Clinical Message

Sigmoid volvulus in pregnancy is a very rare condition. Despite this, clinicians should have a high index of suspicion of this condition if they encounter a pregnant woman with symptoms suggestive of bowel obstruction. Incorrect diagnosis may be catastrophic, resulting in major complications, including fetal and maternal death.
A case of endocervical adenocarcinoma detected 16 months after vaginal delivery
Authors: Ulu İpek , Haberal Esra Tuştaş , Gülşen Mehmet Serdar , Yoğurtçuoğlu Eser Evrim , Kıran Gürkan , Çekmez Yasemin , Kır Gözde
Published: June 2016

Key Clinical Message

The “rapid‐onset” cervical carcinoma is described as the diagnosis of invasive cervical carcinoma within 3 years of a “normal” Pap smear and it is a rare entity. In our case, we aimed to draw attention toward rapid progression of these endocervical adenocarcinomas to macroscopic sizes.
Effect of Polarisation Mimicking Cathodic Electrodeposition Coating on Industrially Relevant Metal Substrates with ZrO2‐Based Conversion Coatings
Authors: Sarfraz Adnan , Posner Ralf , Bashir Asif , Topalov Angel , Mayrhofer Karl J. J. , Lill Kirsten , Erbe Andreas
Published: June 2016

Modern ZrO2‐based conversion coatings were deposited on an aluminium alloy (AA6014), a cold‐rolled steel, a zinc electrogalvanised steel and a Sendzimir zinc hot‐dip galvanised steel. Pretreated substrates were subjected to galvanostatic polarisation in aqueous NaNO3 to mimic deposition conditions of cathodic electrodeposition coatings. No significant structural modification of the conversion coatings was found with Raman or photoluminescence (PL) spectroscopy. After treatment, increased PL indicated an increased number of point defects. Downstream monitoring of dissolved Zr indicated an insignificant totally dissolved fraction of 0.01 % after 5 s of polarisation, which may occur through vacancy‐pair coalescence with concurrent oxide dissolution, as discussed for transpassive dissolution. Overall, the ZrO2 films remained intact after polarisation.
A Major Advance in the Synthesis of Fluoroalkyl Pyrazoles: Tuneable Regioselectivity and Broad Substitution Patterns
Authors: Schmitt Etienne , Panossian Armen , Vors Jean‐Pierre , Funke Christian , Lui Norbert , Pazenok Sergiy , Leroux Frédéric R.
Published: June 2016

A novel approach towards highly functionalized fluoroalkyl pyrazoles was developed by using fluoroalkyl amino reagents in combination with a variety of fluorinated ketimines. Tuneable introduction of fluoroalkyl groups in the 3‐ and 5‐positions was possible by using vinamidinium intermediates or the corresponding enamino ketones after hydrolysis. These high‐value building blocks can give rise to a large number of analogues for bioactivity screening and discovering new heterocyclic bioactive ingredients in various life science fields.
Fluorescent PEGulated Oligourethane Nanoparticles for Long‐Term Cellular Tracing
Authors: Mondal Tathagata , Sarkar Jayita , Ghosh Suhrit
Published: June 2016

We have introduced a new ABA‐type amphiphilic block copolymer consisting of functional oligourethane hydrophobic blocks and two polyethylene glycol (PEG) hydrophilic blocks. The polymer was synthesized in a single step by step‐growth polymerization between two monomers, namely tetraphenylethylene (TPE)‐diol and hexamehylene di‐isocyanate in the presence of a monofunctional impurity PEG‐2000. The polymer exhibits facile self‐assembly in water by synergistic effects of H‐bonding and π–π interaction among the oligourethane core, leading to the formation of robust nanoparticles with remarkable aggregation‐induced emission (AIE). These nanoparticles show very low critical aggregation concentration, stability over a large pH window, and excellent biocompatibility as revealed by an MTT assay. Cellular imaging with cancer cells showed facile cellular uptake and, more importantly, retention of AIE in cellular milieu for long times, which was successfully utilized for long‐term cancer cell tracking.
Palladium‐Catalyzed Chemoselective and Biocompatible Functionalization of Cysteine‐Containing Molecules at Room Temperature
Authors: Al‐Shuaeeb Riyadh Ahmed Atto , Kolodych Sergii , Koniev Oleksandr , Delacroix Sébastien , Erb Stéphane , Nicolaÿ Stéphanie , Cintrat Jean‐Christophe , Brion Jean‐Daniel , Cianférani Sarah , Alami Mouâd , Wagner Alain , Messaoudi Samir
Published: June 2016

The third generation of aminobiphenyl palladacycle pre‐catalyst “G3‐Xantphos” enables functionalization of peptides containing cysteine in high yields. The conjugation (bioconjugation) occurs chemoselectively at room temperature under biocompatible conditions. Extension of the method to protein functionalization allows selective bioconjugation of the trastuzumab antibody.
Azomethine Ylides from Nitrones: Using Catalytic nBuLi for the Totally Stereoselective Synthesis of trans‐2‐Alkyl‐3‐oxazolines
Authors: Juste‐Navarro Veronica , Delso Ignacio , Tejero Tomás , Merino Pedro
Published: June 2016

Invited for the cover of this issue is the group of P. Merino at the University of Zaragoza. The image depicts the central role of the lithium ion, the (auto)catalytic effect of water, the initiation by a substoichiometric amount of n‐butyllithium, and conversion of reactants to product. Read the full text of the article at 10.1002/chem.201602159.
Establishing Nutrient Criteria in Nine Typical Lakes in China: A Conceptual Model
Authors: Zhang Yali , Huo Shouliang , Xi Beidou , Ma Chunzi , He Zhuoshi
Published: June 2016

Nutrient criteria can provide technical support and management decisions information for avoiding over‐ and under‐protection of lakes. Integrating a conceptual model with multiple nutrient changepoints by three non‐linear statistical methods (classification and regression tree model, deviance reduction method, and Bayesian changepoint method) was used to determine the nutrient criteria for nine typical lakes in China differing by specific disturbance degrees and trophic status. Based on the similar impairment levels of nutrient changepoints, the studied lakes were classified into three types roughly including clean lakes, slightly altered lakes, and degraded lakes. For clean lakes, the changepoints were directly used as nutrient criteria (0.005–0.100 mg/L total phosphorus and 0.570–0.600 mg/L total nitrogen). For slightly altered and degraded lakes, due to ecological resilience, the target nutrient criteria should be lower than that of reference lakes inferring from the rationale of “space‐for‐time substitution.” The percentages of decline at changepoints (5, 10, and 20%) are suggested in light of chlorophyll a response criterion limits (2, 5, and 10 µg/L) for ensuring the safety of drinking water. The conceptual model used to address ecological succession along the gradient of disturbance degrees, is applicable to establish nutrient criteria in other lake ecosystems.
Selective plasticity of hippocampal GABAergic interneuron populations following kindling of different brain regions
Authors: Botterill J.J. , Nogovitsyn N. , Caruncho H.J. , Kalynchuk L.E.
Published: June 2016

The vulnerability and plasticity of hippocampal GABAergic interneurons is a topic of broad interest and debate in the field of epilepsy. In this experiment, we used the electrical kindling model of epilepsy to determine whether seizures that originate in different brain regions have differential effects on hippocampal interneuron subpopulations. Long‐Evans rats received 99 electrical stimulations of the hippocampus, amygdala, or caudate nucleus, followed by sacrifice and immunohistochemical or western blot analyses. We analyzed markers of dendritic (somatostatin), perisomatic (parvalbumin), and interneuron‐selective (calretinin) inhibition, as well as an overall indicator (GAD67) of interneuron distribution across all major hippocampal subfields. Our results indicate that kindling produces selective effects on the number and morphology of different functional classes of GABAergic interneurons. In particular, limbic kindling appears to enhance dendritic inhibition, indicated by a greater number of somatostatin‐immunoreactive (‐ir) cells in the CA1 pyramidal layer and robust morphological sprouting in the dentate gyrus. We also found a reduction in the number of interneuron‐selective calretinin‐ir cells in the dentate gyrus of hippocampal‐kindled rats, which suggests a possible reduction of synchronized dendritic inhibition. In contrast, perisomatic inhibition indicated by parvalbumin immunoreactivity appears to be largely resilient to the effects of kindling. Finally, we found a significant induction in the number of GAD67‐cells in caudate‐kindled rats in the dentate gyrus and CA3 hippocampal subfields. Taken together, our results demonstrate that kindling has subfield‐selective effects on the different functional classes of hippocampal GABAergic interneurons. J. Comp. Neurol. 525:389–406, 2017. © 2016 Wiley Periodicals, Inc.
SERVmegh: framework for green cloud
Authors: Kumar Ashok , Sharma Anju , Kumar Rajesh
Published: June 2016

With the growing popularity of cloud computing, different infrastructure as a service cloud frameworks do exists. Each framework has significant impact on robustness, scalability, fault‐tolerance, energy efficiency, and so on of the cloud. To bring good characteristics of open source clouds and commercial clouds under a roof, a six layered green cloud framework namely SERVmegh is proposed. Resource management, green power management, workload analyzer and manager, and on/off control components of SERVmegh framework are designed and developed. Energy‐efficient resource wastage reduction methodology for resource management is proposed. Algorithms for resource management, virtual machine placement, and minimization of virtual machine migrations using resource wastage reduction methodology are implemented. The performance of proposed algorithms is evaluated in CloudSim simulation and OpenNubula open source cloud environment. The results depict significant energy savings under different scenarios. Copyright © 2016 John Wiley & Sons, Ltd.
TheUS‐EUTransatlantic Trade and Investment Partnership: Should It Leave a Door Open for Non‐Legal Arbitrators?
Authors: Fach Gómez Katia
Published: June 2016

This article reflects on the suitability of including non‐legal arbitrators in certain investment arbitrations. It presents different mechanisms that have been used in the investment arbitration context to aid legal arbitrators with scientific‐technical issues and contemplates the drawbacks of this external competence. After analyzing various sectors in which non‐legal experts provide internal competence (international inspection boards, specialized national courts, commercial arbitration tribunals, and inter‐state arbitration tribunals), the article concludes that incorporating arbitrators with scientific‐technical competence into international investment tribunals on anad casumbasis may not be such a far‐fetched idea. Finally, variousde lege ferendaproposals that would achieve the common goal of not barring non‐legal “judges” from the futureUS‐EUinvestment court are put forward.
Two‐Step Physical Deposition of a Compact CuI Hole‐Transport Layer and the Formation of an Interfacial Species in Perovskite Solar Cells
Authors: Gharibzadeh Saba , Nejand Bahram Abdollahi , Moshaii Ahmad , Mohammadian Nasim , Alizadeh Amir Hossein , Mohammadpour Rahele , Ahmadi Vahid , Alizadeh Abdolali
Published: June 2016

A simple and practical approach is introduced for the deposition of CuI as an inexpensive inorganic hole‐transport material (HTM) for the fabrication of low cost perovskite solar cells (PSCs) by gas–solid phase transformation of Cu to CuI. The method provides a uniform and well‐controlled CuI layer with large grains and good compactness that prevents the direct connection between the contact electrodes. Solar cells prepared with CuI as the HTM with Au electrodes displays an exceptionally high short‐circuit current density of 32 mA cm−2, owing to an interfacial species formed between the perovskite and the Cu resulting in a long wavelength contribution to the incident photon‐to‐electron conversion efficiency (IPCE), and an overall power conversion efficiency (PCE) of 7.4 %. The growth of crystalline and uniform CuI on a low roughness perovskite layer leads to remarkably high charge extraction in the cells, which originates from the high hole mobility of CuI in addition to a large number of contact points between CuI and the perovskite layer. In addition, the solvent‐free method has no damaging side effect on the perovskite layer, which makes it an appropriate method for large scale applications of CuI in perovskite solar cells.
Diagnosis of chronic lymphoproliferative disorders by flow cytometry using four‐color combinations for immunophenotyping: A proposal of the brazilian group of flow cytometry (GBCFLUX)
Authors: Sales M. M. , Ferreira S. I. A. C. P. , Ikoma M. R. V. , Sandes A. F. , Beltrame M. P. , Bacal N. S. , Silva M. C. A. , Malvezzi M. , Lorand‐Metze I. G. H. , Orfao A. , Yamamoto M. ,   on behalf of GBCFLUX
Published: June 2016

Background

Multiparametric flow cytometry (MFC) is a powerful tool for the diagnosis of hematological malignancies and has been useful for the classification of chronic lymphoproliferative disorders (CLPD) according to the WHO criteria. Following the purposes of the Brazilian Group of Flow Cytometry (GBCFLUX), the aim of this report was to standardize the minimum requirements to achieve an accurate diagnosis in CLPDs, considering the different economic possibilities of the laboratories in our country. Most laboratories in Brazil work with 4‐fluorescence flow cytometers, which is why the GBCFLUX CLPD Committee has proposed 4‐color monoclonal antibody (MoAb) panels.

Methods/Results

Panels for screening and diagnosis in B, T and NK lymphoproliferative disorders were developed based on the normal differentiation pathways of these cells and the most frequent phenotypic aberrations. Important markers for prognosis and for minimal residual disease (MRD) evaluation were also included. The MoAb panels presented here were designed based on the diagnostic expertise of the participating laboratories and an extensive literature review.

Conclusion

The 4‐color panels presented to aid in the diagnosis of lymphoproliferative neoplasms by GBCFLUX aim to provide clinical laboratories with a systematic, step‐wise, cost‐effective, and reproducible approach to obtain an accurate immunophenotypic diagnosis of the most frequent of these disorders. © 2016 International Clinical Cytometry Society
High dissimilarity within a multiyear annual record of pollen assemblages from a North American tallgrass prairie
Authors: Commerford Julie L. , McLauchlan Kendra K. , Minckley Thomas A.
Published: June 2016

Grassland vegetation varies in composition across North America and has been historically influenced by multiple biotic and abiotic drivers, including fire, herbivory, and topography. Yet, the amount of temporal and spatial variability exhibited among grassland pollen assemblages, and the influence of these biotic and abiotic drivers on pollen assemblage composition and diversity has been relatively understudied. Here, we examine 4 years of modern pollen assemblages collected from a series of 28 traps at the Konza Prairie Long‐Term Ecological Research Area in the Flint Hills of Kansas, with the aim of evaluating the influence of these drivers, as well as quantifying the amount of spatial and temporal variability in the pollen signatures of the tallgrass prairie biome. We include all terrestrial pollen taxa in our analyses while calculating four summative metrics of pollen diversity and composition – beta‐diversity, Shannon index, nonarboreal pollen percentage, and Ambrosia:Artemisia – and find different roles of fire, herbivory, and topography variables in relation to these pollen metrics. In addition, we find significant annual differences in the means of three of these metrics, particularly the year 2013 which experienced high precipitation relative to the other 3 years of data. To quantify spatial and temporal dissimilarity among the samples over the 4‐year study, we calculate pairwise squared‐chord distances (SCD). The SCD values indicate higher compositional dissimilarity across the traps (0.38 mean) among all years than within a single trap from year to year (0.31 mean), suggesting that grassland vegetation can have different pollen signatures across finely sampled space and time, and emphasizing the need for additional long‐term annual monitoring of grassland pollen.
Reframing the association and significance of co‐morbidities in heart failure
Authors: Triposkiadis Filippos , Giamouzis Gregory , Parissis John , Starling Randall C. , Boudoulas Harisios , Skoularigis John , Butler Javed , Filippatos Gerasimos
Published: June 2016

Several co‐existing diseases and/or conditions (co‐morbidities) are present in patients with heart failure (HF), with diverse clinical relevance. Multiple mechanisms may underlie the co‐existence of HF and co‐morbidities, including direct causation, associated risk factors, heterogeneity, and independence. The complex inter‐relationship of co‐morbidities and their impact on the cardiovascular system contribute to the features of HF, both with reduced (HFrEF) and preserved ejection fraction (HFpEF). The purpose of this work is to provide an overview of the contribution of major cardiac and non‐cardiac co‐morbidities to HF development and outcomes, in the context of both HFpEF and HFrEF. Accordingly, epidemiological evidence linking co‐morbidities to HF and the effect of prevalent and incident co‐morbidities on HF outcome will be reviewed.
System‐justifying behaviors: When feeling dependent on a system triggers gender stereotype‐consistent academic performance
Authors: Bonnot Virginie , Krauth‐Gruber Silvia
Published: June 2016

Based on system‐justification theory, we hypothesized that men and women would perform in accordance with gender stereotypes mainly when justification of the system is necessary. In this research, system‐justification motivation was triggered using a system‐dependency manipulation. Study 1 shows that when feeling highly (vs. less) dependent on the system, people endorsed system‐justifying beliefs more. In Study 2, men performed better in math than in verbal domains, while women showed the reverse pattern, but only when they felt highly dependent on the system. Similar results were obtained on performance self‐evaluation. Copyright © 2016 John Wiley & Sons, Ltd.
Recent Applications of Mercury Electrodes for Monitoring of Pesticides: A Critical Review
Authors: Gajdar Julius , Horakova Eva , Barek Jiri , Fischer Jan , Vyskocil Vlastimil
Published: June 2016

This critical review deals with possibilities and limitations of mercury electrodes in the field of voltammetric and amperometric determination of submicromolar concentrations of various electrochemically reducible pesticides. Attention is mostly focused on the last 10 years to show that even now mercury based electrodes are unsurpassed sensors for this purpose.
Scanning Electrochemical Microscopy Determination of Heterogeneous Electron Transfer and Homogeneous Association and Comproportionation Rate Constants of Anthrarufin
Authors: Ekanayake Chandima B. , Zoski Cynthia G.
Published: June 2016

We report the use of scanning electrochemical microscopy (SECM) in determining the heterogeneous electron transfer and homogeneous association and comproportionation kinetics of anthrarufin (HQ) in acetonitrile at a Pt tip UME (radius 12.5 µm). HQ undergoes two consecutive one‐electron reductions with comproportionation occurring between HQ2−, the product of the second reduction, and bulk HQ to produce HQ− and association occurring between HQ− and bulk HQ to produce an electroinactive species. Standard rate constants, k10=5.1±0.4 cm/s, for the first reduction, and a comparatively smaller rate constant, k20=0.37±0.03 cm/s, for the second reduction, were determined by tip voltammetry over a large Pt substrate. An association rate constant, kassoc=2.9×102 M−1 s−1, was determined using positive feedback approach curves over co‐axially aligned tip and substrate UMEs of the same radius. A comproportionation rate constant, kcomp=7.1×101 M−1 s−1, was determined in the presence of the association reaction by tip pulse chronoamperometry at the same co‐axially aligned tip and substrate UMEs. Diffusion coefficients of the HQ species and standard potentials for the reductions were also determined. Experimental results were compared with 2D transient axisymmetric simulations.
MoxC/CNT Composites as Active Electrocatalysts for the Hydrogen Evolution Reaction under Alkaline Conditions
Authors: Yang Fengkai , Sliozberg Kirill , Antoni Hendrik , Xia Wei , Muhler Martin
Published: June 2016

Low‐cost electrocatalysts based on highly dispersed molybdenum carbide supported on carbon nanotubes (CNTs) were developed for the hydrogen evolution reaction (HER). The synthesis of MoxC/CNT was achieved by impregnation using ammonium heptamolybdate followed by a thermal treatment at 700 °C in CH4/H2, H2 or N2. The composites were characterized by X‐ray diffraction, N2 physisorption, and X‐ray photoelectron spectroscopy. β‐Mo2C was the main Mo carbide phase generated in N2 or H2, whereas α‐MoC was the dominant phase formed in CH4/H2. All the MoxC/CNT composites were catalytically active in the HER under alkaline conditions. The catalyst pretreated in pure H2 exhibited the highest HER activity, which was found to correlate with a higher amount of Mo2C, a higher total Mo content and a higher Mo surface concentration compared with the other two less active samples. Amorphous carbon on the surface seems to play an important role in limiting the HER performance of the Mo carbide catalysts, and the treatment in H2 removed it most effectively leading to high HER activity.
Exploring Collective Substituent Effects: Dependence of the Lifetime of Charged States of Au25(SCnH2n+1)18 Nanoclusters on the Length of the Thiolate Ligands
Authors: Antonello Sabrina , Dainese Tiziano , Maran Flavio
Published: June 2016

Electrochemical methods have been often successfully employed to study substituent effects, a field pioneered by Petr Zuman. Here we used cyclic voltammetry to explore a new dimension of the effect of substituents on the lifetime of electrogenerated species. 18 thiolate ligands were collectively changed in molecular Au25(SCnH2n+1)18 nanoclusters by changing the number of carbon atoms forming the alkanethiolate linear chains: 2, 3, 4, 5, 6, 8, 10, and 12. Whereas on the voltammetric timescale the −1, 0, and +1 charge state of Au25 clusters are stable, formation of the −2 and +2 states causes fragmentation of the cluster. Voltammetric analysis indicates that the former entails reactions involving ligands in the Au12(SCnH2n+1)18 protecting shell, whereas the latter is accompanied by a slower but also more substantial fragmentation affecting the integrity of the central Au13 core. Whereas the lifetime of the dianion is ca. 3 ms and virtually unaffected by the length of the thiolate substituent, the lifetime of the dication increases from 0.11 to 5 s as the alkanethiolate chains are made longer. This difference in behavior is explained by the different effect exerted on the two types of fragmentation by the structure of the protecting monolayer.
Wastewater treatment in pilot‐scale microbial fuel cell using multielectrode assembly with ceramic separator suitable for field applications
Authors: Ghadge Anil N. , Jadhav Dipak A. , Ghangrekar Makarand M.
Published: June 2016

Performance of 45 L pilot scale microbial fuel cell (MFC) made from glass fiber‐reinforced plastic and ceramic‐separators (CS) with multiple electrode assembly was evaluated. Study on effect of external resistance (Rext) varying from 100 to 3 Ω revealed that maximum power (Pmax) of 14.28 mW (37.8 mA current) with chemical oxygen demand (COD) removal of 84 ± 5.1% was observed at Rext of 10 Ω. While evaluating influence of organic loading rate (OLR) from 0.75 to 8 g COD L−1d−1, the MFC showed Pmax of 17.63 mW (42 mA current) and COD removal of 69 ± 5.1% at OLR of 4.5 g COD L−1d−1. Internal resistance (Rint) of 12.4 Ω observed is among the least value reported in literature for larger MFCs. Simplicity in design, ease of fabrication, lower Rint, longevity and low cost CS, which can withstand more hydraulic pressure than polymeric membranes, are the advantages that this MFC offers to make it suitable for field applications. © 2016 American Institute of Chemical Engineers Environ Prog, 35: 1809–1817, 2016
Property of intrinsic flame retardant epoxy resin cured by functional magnesium organic composite salt and diethylenetriamine
Authors: Gao Chengyong , Wang Lei , Lei Ziqiang , Yang Li , Xu Xiaohuan , Guo Xing
Published: June 2016

An efficient intrinsic flame retardants composite was prepared by curing epoxy resin with a functional magnesium organic composite salt (FMOCS, 0.685 ± 0.3 nm) and diethylenetriamine (DETA). Curing behavior, thermal and flame‐retardant properties of the cured epoxy resins were systematically investigated by infrared spectrum (FTIR), thermogravimetric analysis (TGA), vertical burning test (UL‐94) and limited oxygen index (LOI) measurement. It was found that flame retardancy and mechanical properties of the cured composite are significantly enhanced compared with DETA/EP. The LOI of the EP reached to 33%, which is much higher than the DETA/EP (19%) or its IFR composite (31%) in the optimal addition of ammonium polyphosphate (APP, 18.69 wt %), pentaerythritol (PER, 6.21 wt %) and FMOCS (3.50 wt %). Furthermore, the mechanical properties of the composite material measurement results to imply that it can enhance tensile strength (150%) and bending strength (88%) rather than DETA/EP, which were tested by impact testing machine and microcomputer control electron universal testing machines. Copyright © 2016 John Wiley & Sons, Ltd.
Disciplinary Literacy and Inquiry: Teaching for Deeper Content Learning
Authors: Spires Hiller A. , Kerkhoff Shea N. , Graham Abbey C.K.
Published: June 2016

Disciplinary literacy is gaining momentum as an approach to adolescent literacy. Believing that a key aspect of disciplinary literacy is knowledge construction, the authors introduce a model for relating disciplinary literacy with project‐based inquiry. Rather than merely exploring topics during inquiry, students use practices of a discipline to understand claims and evidences and to create new knowledge. The aim is that students will engage in authentic, intellectually challenging work so their products will have value within and outside of school. The model proposes to help teachers create an instructional path for deeper learning within the disciplines.
Testing for Predictability in panels with General Predictors
Authors: Westerlund Joakim , Karabiyik Hande , Narayan Paresh
Published: June 2016

The difficulty of predicting returns has recently motivated researchers to start looking for tests that are either more powerful or robust to more features of the data. Unfortunately, the way that these tests work typically involves trading robustness for power or vice versa. The current paper takes this as its starting point to develop a new panel‐based approach to predictability that is both robust and powerful. Specifically, while the panel route to increased power is not new, the way in which the cross‐section variation is exploited also to achieve robustness with respect to the predictor is. The result is two new tests that enable asymptotically standard normal and chi‐squared inference across a wide range of empirically relevant scenarios in which the predictor may be stationary, moderately non‐stationary, nearly non‐stationary, or indeed unit root non‐stationary. The type of cross‐section dependence that can be permitted in the predictor is also very general, and can be weak or strong, although we do require that the cross‐section dependence in the regression errors is of the strong form. What is more, this generality comes at no cost in terms of complicated test construction. The new tests are therefore very user‐friendly. Copyright © 2016 John Wiley & Sons, Ltd.
Optical response of the Cu2S2 diamond core in (NGuaS)2Cl2
Authors: Witte Matthias , Grimm‐Lebsanft Benjamin , Goos Arne , Binder Stephan , Rübhausen Michael , Bernard Martin , Neuba Adam , Gorelsky Serge , Gerstmann Uwe , Henkel Gerald , Gero Schmidt Wolf , Herres‐Pawlis Sonja
Published: June 2016

Density functional theory (DFT) and time‐dependent DFT calculations are presented for the dicopper thiolate complex Cu2(NGuaS)2Cl2 [NGuaS=2‐(1,1,3,3‐tetramethylguanidino) benzenethiolate] with a special focus on the bonding mechanism of the Cu2S2Cl2 core and the spectroscopic response. This complex is relevant for the understanding of dicopper redox centers, for example, the CuA center. Its UV/Vis absorption is theoretically studied and found to be similar to other structural CuA models. The spectrum can be roughly divided in the known regions of metal d‐d absorptions and metal to ligand charge transfer regions. Nevertheless the chloride ions play an important role as electron donors, with the thiolate groups as electron acceptors. The bonding mechanism is dissected by means of charge decomposition analysis which reveals the large covalency of the Cu2S2 diamond core mediated between Cu
and S‐S π and π* orbitals forming Cu‐S σ bonds. Measured resonant Raman spectra are shown for 360‐ and 720‐nm excitation wavelength and interpreted using the calculated vibrational eigenmodes and frequencies. The calculations help to rationalize the varying resonant behavior at different optical excitations. Especially the phenylene rings are only resonant for 720 nm. © 2016 Wiley Periodicals, Inc.
Development of a Liquid‐liquid Extraction System for Rhodium(III) by 2‐octylaminopyridine from Weak Malonate Media
Authors: Suryavanshi Vishal J. , Patil Makrand M. , Kokare Arjun N. , Zanje Sunil B. , Pawar Rupali R. , Anuse Mansing A. , Mulik Ganpatrao N.
Published: June 2016

We have developed the extraction method of rhodium(III) from malonate media with 2‐octylaminopyridine (2‐OAP) in xylene at pH 8.0. The quantitative extraction of rhodium(III) with extractant was found by screening of different physicochemical parameters like malonate concentration, extractant concentration, pH, diluents, effect of temperature, aq: org phase ratio, loading capacity of 2‐OAP. The optimum condition was malonate=0.025 M, pH=8.0, 2‐OAP=0.05 M in xylene. The complete stripping of rhodium(III) from the loaded organic phase was carried out with 2 M HCl. Log‐log plot was investigated to determine the stoichiometry of the extracted species and it was found to be 1 : 2 : 1 (metal : acid :extractant). The versatility of the proposed method was checked for extraction and separation of rhodium(III) from binary, ternary mixture of associated metal ions as well as platinum group metals and from the synthetic solution of rhodium minerals and alloys.
13C‐Isotope Labeled Surrogate for Estimating Organophosphorus Pesticides in Agricultural Products by Gas Chromatography‐Mass Spectrometry
Authors: Chen Yan‐Fu , Kao Chang‐Long , Lee Wei‐Kun , Huang Ping‐Chih , Hsu Ching‐Yun , Kuei Chun‐Hsiung
Published: June 2016

13C‐isotope labeled paraoxon‐ethyl (13C2‐EP) and deuterium‐labeled paraoxon‐methyl (D6‐MP) were synthesized and employed as the surrogate (SS) and the internal standard (IS) in organophosphorus pesticides (OPs) spiking agricultural QC samples. The residual amounts of OPs were determined with gas chromatography‐mass spectrometry (GC‐MS) method. The isotope‐labeled compounds used in this study could assist the analysts to estimate the appropriateness and the uncertainties produced by pre‐treatment process. It was found that these isotope labeled compounds could improve the accuracy (10% to 40% of quantitative analysis), and provide efficacious calibration for the spiking recoveries of OPs in some agricultural samples.
Decompositions of Graphs into Fans and Single Edges
Authors: Liu Henry , Sousa Teresa
Published: June 2016

Given two graphs G and H, an H‐decomposition of G is a partition of the edge set of G such that each part is either a single edge or forms a graph isomorphic to H. Let be the smallest number ϕ such that any graph G of order n admits an H‐decomposition with at most ϕ parts. Pikhurko and Sousa conjectured that for and all sufficiently large n, where denotes the maximum number of edges in a graph on n vertices not containing H as a subgraph. Their conjecture has been verified by Özkahya and Person for all edge‐critical graphs H. In this article, the conjecture is verified for the k‐fan graph. The k‐fan graph, denoted by , is the graph on vertices consisting of k triangles that intersect in exactly one common vertex called the center of the k‐fan.
Synthesis and Evaluation of Novel Spiro[oxindole‐isoxazolidine] Derivatives as Potent Antioxidants
Authors: Kaur Manpreet , Singh Baldev , Singh Baljit , Arjuna Anania
Published: June 2016

The antioxidant activity of isatin derivatives can be described with the presence of enolic hydroxyl group at the second position of the ring because of the keto‐enol tautomerism between NH and CO groups of indolone moiety. The reducing ability of the tested compounds was evaluated by their interaction with the stable free radical 1,1‐diphenyl‐2‐picrylhydrazyl (DPPH) at various concentrations. Novel spiro[oxindole‐isoxazolidine] derivatives (4a, 4b, 4c, 4d, 4e, 4f, 4g, 4h, 4i) have been synthesized by 1,3‐dipolar cycloaddition reactions of variously substituted maleimides (1) with isatin ketonitrone (3) and tested for their in vitro antioxidant potency in the DPPH assay. All the synthesized compounds have been identified as potent in vitro antioxidants.
Respiratory syncytial virus subtype ON1/NA1/BA9 predominates in hospitalized children with lower respiratory tract infections
Authors: Fan Ruyan , Fan Chuping , Zhang Jian , Wen Bo , Lei Yefei , Liu Chan , Chen Lijuan , Liu Wenpei , Wang Chuan , Qu Xiaowang
Published: June 2016

Respiratory syncytial virus (RSV) infection is the leading cause of acute respiratory tract disease in children less than 5 years old. The aim of this study was to further elucidate the molecular properties and clinical characteristics of RSV infection. The study sample included 238 patients <5 years old who were hospitalized with clinical symptoms of upper or lower respiratory tract infection (URTI or LRTI) in the Pediatric Department at the First People's Hospital of Chenzhou, South China in 2014. We subjected nasopharyngeal aspirate (NPA) or nasal swab (NS) samples from the patients to indirect fluorescence assay screens. RSV G genes were amplified by reverse transcription‐PCR (RT‐PCR) and sequenced. Of the 238 patients screened, 64 (26.8%) were confirmed to have RSV infections. Of those 64 confirmed RSV infection cases, 39 (60.9%) had subtype BA9, 13 (20.3%) had the recently identified subtype ON1, 11 (17.2%) had subtype NA1, and 1 (1.6%) had subtype GB2. The predominant presentation was LRTI with coughing, sputum production, fever, and wheezing. RSV subtype NA1 and BA9 infections were found mostly in infants, whereas the age distribution of subtype ON1 infections was more uniform across the age bands. Phylogenetic analysis indicated that, compared with the prototype strain A2, all ON1 and most NA1 isolates had lost one potential N‐glycosylation site at amino acid 251 and 249 due to T251K and N249Y substitution, respectively. These findings suggest that NA1, BA9, and ON1 are the dominant RSV subtypes causing respiratory tract infections in young children presenting to the hospital in South China. J. Med. Virol. 89:213–221, 2017. © 2016 Wiley Periodicals, Inc.