bluuebunny/crossref_metadata_2025 huggingface dataset:
Transient dynamics of a one‐dimensional Holstein polaron under the influence of an external electric field
Authors: Huang Zhongkai , Chen Lipeng , Zhou Nengji , Zhao Yang
Published: March 2017

Following the Dirac‐Frenkel time‐dependent variational principle, transient dynamics of a one‐dimensional Holstein polaron with diagonal and off‐diagonal exciton‐phonon coupling in an external electric field is studied by employing the multi‐D2 Ansatz, also known as a superposition of the usual Davydov D2 trial states. Resultant polaron dynamics has significantly enhanced accuracy, and is in perfect agreement with that derived from the hierarchy equations of motion method. Starting from an initial broad wave packet, the exciton undergoes typical Bloch oscillations. Adding weak exciton‐phonon coupling leads to a broadened exciton wave packet and a reduced current amplitude. Using a narrow wave packet as the initial state, the bare exciton oscillates in a symmetric breathing mode, but the symmetry is easily broken by weak coupling to phonons, resulting in a non‐zero exciton current. For both scenarios, temporal periodicity is unchanged by exciton‐phonon coupling. In particular, at variance with the case of an infinite linear chain, no steady state is found in a finite‐sized ring within the anti‐adiabatic regime. For strong diagonal coupling, the multi‐ Anstaz is found to be highly accurate, and the phonon confinement gives rise to exciton localization and decay of the Bloch oscillations.

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Classical and quantum systems: transport due to rare events
Authors: Huveneers François
Published: March 2017

We review possible mechanisms for energy transfer based on ‘rare’ or ‘non‐perturbative’ effects, in physical systems that present a many‐body localized phenomenology. The main focus is on classical systems, with or without quenched disorder. For non‐quantum systems, the breakdown of localization is usually not regarded as an issue, and we thus aim at identifying the fastest channels for transport. Next, we contemplate the possibility of applying the same mechanisms in quantum systems, including disorder free systems (e.g. Bose‐Hubbard chain), disordered many‐body localized systems with mobility edges at energies below the edge, and strongly disordered lattice systems in . For quantum mechanical systems, the relevance of these considerations for transport is currently a matter of debate.
Preparation of antibacterial cellulose with s‐triazine‐based quaternarized N‐halamine
Authors: Jiang Zhiming , Qiao Mingyu , Ren Xuehong , Zhu Ping , Huang Tung‐Shi
Published: March 2017

To reduce the neutral salt used in the textile finishing with s‐triazine derivatives, a novel s‐triazine‐based quaternarized N‐halamine precursor was synthesized by two simple steps and characterized by H‐NMR and FT‐IR. This compound can be effectively coated onto cellulose by nucleophilic substitution process without neutral salt. The treated cellulose was rendered with powerful biocidal efficacy after transferring to an N‐halamine structure by exposing to dilute sodium hypochlorite solution through the synergistic antimicrobial effect quaternary ammonium salt and N‐halamine. The chlorinated samples could inactivate 6‐logs of Staphylococcus aureus and Escherichia coli O157:H7 within 1 min and 5 min, respectively. In addition, about 50% of oxidant chlorine remained after 50 washing cycles and 30 days storage, and all of the lost active chlorines in the N‐halamine molecules recovered after exposing to bleach solution. With these advantages, the as‐prepared antimicrobial fabrics will have potential application, especially in the medical and healthcare textiles. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44998.
Decoding the phonics screening check
Authors: Darnell Catherine A. , Solity Jonathan E. , Wall Helen
Published: March 2017

The statutory ‘phonics screening check’ was introduced in 2012 and reflects the current emphasis in England on teaching early reading through systematic synthetic phonics. The check is intended to assess children's phonic abilities and their knowledge of 85 grapheme–phoneme correspondences (GPCs) through decoding 20 real words and 20 pseudo words. Since the national rollout, little attention has been devoted to the content of the checks. The current paper, therefore, reviews the first three years of the check between 2012 and 2014 to examine how the 85 specified GPCs have been assessed and whether children are only using decoding skills to read the words. The analysis found that out of the 85 GPCs considered testable by the check, just 15 GPCs accounted for 67% of all GPC occurrences, with 27 of the 85 specified GPCs (31.8%) not appearing at all. Where a grapheme represented more than one phoneme, the most frequently occurring pronunciation was assessed in 72.2% of cases, with vocabulary knowledge being required to determine the correct pronunciation within real words where multiple pronunciations were possible. The GPCs assessed, therefore, do not reflect the full range of GPCs that it is expected will be taught within a systematic synthetic phonics approach. Furthermore, children's ability to decode real words is dependent on their vocabulary knowledge, not just their phonic skills. These results question the purpose and validity of the phonics screening check and the role of synthetic phonics for teaching early reading.
Ausstanzmodell mit Rissreibung für Verbunddübelleisten im gerissenen Beton
Authors: Claßen Martin , Hegger Josef
Published: March 2017

Die Schubtragfähigkeit von Verbunddübelleisten mit Ausstanzversagen wird durch Querrisse im Betongurt vermindert. Experimentelle Untersuchungen zeigen, dass Querrisse als Begrenzungen des Betonausstanzkegels wirken, an denen eine Kraftübertragung lediglich durch Rissreibung erfolgt. In den bisherigen Bemessungsansätzen für Verbunddübelleisten wird der Einfluss von Rissbildung im Beton nicht berücksichtigt. Hieraus kann ein Sicherheitsdefizit in der Bemessung von Verbundträgern mit Verbunddübelleisten resultieren, falls der Betongurt vollständig oder bereichsweise aufreißt. Im vorliegenden Beitrag wird daher ein mechanisch basierter Modellansatz für das Ausstanzen von Verbunddübelleisten im gerissenen und ungerissenen Beton hergeleitet, der die Übertragung von Schubspannungen durch Rissverzahnung berücksichtigt. Mit dem Modell lassen sich die vorhandenen Versuche mit guter Genauigkeit nachrechnen. Das Ausstanzmodell für den gerissenen und ungerissenen Beton wird anhand einer Versuchsdatenbank validiert und auf das Bemessungsniveau überführt. Das entwickelte Modell lässt sich auf das Tragverhalten von Befestigungen (Kopfbolzen und Hinterschnittdübel) im gerissenen Ankergrund übertragen. Alle vorgestellten Untersuchungen wurden im Rahmen von [1] durchgeführt und sind hierin ausführlich beschrieben.
Der armierte Beton im Geschossbau
Authors: Polónyi Stefan
Published: March 2017

Der französische Gärtner Joseph Monier hat seine aus Zementmörtel hergestellten Pflanzkübel mit Drahtringen armiert. Seiner Idee wurde 1867 das Patent erteilt. Die Bauingenieure waren bemüht, diese Erfindung auf ihre Tragkonstruktionen anzuwenden. Für die rechnerische Erfassung des bewehrten Balkens standen drei Analogtragverhalten zur Verfügung: der Bogen, das Hängewerk und das Fachwerk. Da man sich gerade unter der „Herrschaft” der Fachwerkstatik befand, entschied man sich für das Fachwerk, womit die Eigenschaften des Betons im Wesentlichen außer Acht blieben. Aus Rundstäben wurden Bewehrungskörbe gebunden und diese einbetoniert.

Im Gegensatz zu seiner großen Druckfestigkeit besitzt Beton nur eine geringe Zugfestigkeit. Das bedeutet, dass Bewehrungsstäbe dort eingelegt werden müssen, wo der Beton die während der vorgesehenen Nutzung auftretende Zugbeanspruchung nicht aufnehmen kann. Im Folgenden wird erörtert, wo und wie der Beton eines mehrgeschossigen Hauses bewehrt bzw. nicht bewehrt werden soll [1].
Spectroscopic and Computational Investigations of Ligand Binding to IspH: Discovery of Non‐diphosphate Inhibitors
Authors: O'Dowd Bing , Williams Sarah , Wang Hongxin , No Joo Hwan , Rao Guodong , Wang Weixue , McCammon J. Andrew , Cramer Stephen P. , Oldfield Eric
Published: March 2017

Isoprenoid biosynthesis is an important area for anti‐infective drug development. One isoprenoid target is (E)‐1‐hydroxy‐2‐methyl‐but‐2‐enyl 4‐diphosphate (HMBPP) reductase (IspH), which forms isopentenyl diphosphate and dimethylallyl diphosphate from HMBPP in a 2H+/2e− reduction. IspH contains a 4 Fe−4 S cluster, and in this work, we first investigated how small molecules bound to the cluster by using HYSCORE and NRVS spectroscopies. The results of these, as well as other structural and spectroscopic investigations, led to the conclusion that, in most cases, ligands bound to IspH 4 Fe−4 S clusters by η1 coordination, forming tetrahedral geometries at the unique fourth Fe, ligand side chains preventing further ligand (e.g., H2O, O2) binding. Based on these ideas, we used in silico methods to find drug‐like inhibitors that might occupy the HMBPP substrate binding pocket and bind to Fe, leading to the discovery of a barbituric acid analogue with a Ki value of ≈500 nm against Pseudomonas aeruginosa IspH.
Delayed right ventricular defibrillation lead perforation presenting as cardiac tamponade and treated surgically
Authors: Noguchi Masahiko , Nakai Toshiko , Kawano Yuji , Shibayama Kentaro , Obunai Kotaro , Tabata Minoru , Watanabe Hiroyuki
Published: March 2017

Key Clinical Message

Right ventricular perforation leading to cardiac tamponade can occur during the chronic phase after cardiac device implantation. Physicians who manage the pacemaker clinic must be alert to the wide range of symptoms and signs that can accompany delayed right ventricular perforation. Surgical rather than percutaneous lead extraction may be prudent.
Persistence of a t(11;14)‐positive clone in a patient with mantle cell lymphoma for 20 years
Authors: Otsuka Yasuyuki , Nishikori Momoko , Kitano Toshiyuki , Oka Tomomi , Ishikawa Takayuki , Haga Hironori , Takaori‐Kondo Akifumi
Published: March 2017

Key Clinical Message

We report here a patient with extremely indolent mantle cell lymphoma (MCL) who had progressed and required immunochemotherapy 20 years after diagnostic splenectomy. Non‐nodal, indolent MCL patients may progress after such an extraordinary long indolent phase, and we recommend lifelong follow up for such cases.
Adrenal venous sampling in a patient with left inferior vena cava
Authors: Fujii Yuichi , Ueda Tomohiro , Uchimura Yuko , Teragawa Hiroki
Published: March 2017

Key Clinical Message

Adrenal venous sampling (AVS), although difficult, is recommended for patients with primary aldosteronism (PA) to diagnose the subtype. Recognizing anatomical variation is key to a successful AVS. We report on a patient with PA and left inferior vena cava (IVC) whose left adrenal vein drained directly into the IVC.
Innovative Carbon Dioxide‐Capturing Organic Solvent: Reaction Mechanism and Kinetics
Authors: Orhan Ozge Yuksel , Tankal Hilal , Kayi Hakan , Alper Erdogan
Published: March 2017

The reaction rates of CO2 with an innovative CO2‐capturing organic solvent (CO2COS), consisting of blends of 2‐tert‐butyl‐1,1,3,3‐tetramethylguanidine (BTMG) and 1‐propanol, were obtained as function of BTMG concentration and temperature. A stopped‐flow apparatus with conductivity detection was used. The reaction was modeled by means of a modified termolecular reaction mechanism which resulted in a second‐order rate constant, and activation energies were calculated for a defined temperature range. Quantum chemical calculations at the B3LYP/6‐31G(d) level also produced the activation energy of this reaction system which strongly supports the experimental findings.
From Moldy Orange Waste to Natural Reductant and Catalyst Support: Active Palladium/Biomass‐Derived Carbonaceous Hybrids for Promoted Methanol Electro‐Oxidation
Authors: Da Zulin , Niu Xiangheng , Li Xin , Zhang Wenchi , He Yanfang , Pan Jianming , Qiu Fengxian , Yan Yongsheng
Published: March 2017

Facile, green, and low‐cost synthesis of advanced electrocatalysts is widely considered an urgent issue and a current challenge for clean energy conversion. Here, we report the green fabrication of a new Pd/C(OJ) hybrid, using orange juice (OJ) simultaneously as a natural reductant and a support precursor, for the methanol oxidation reaction (MOR) in alkaline media. The juice extracted from discarded moldy oranges is capable of reducing the [PdCl4]2− species into metallic Pd through a simple hydrothermal reaction, and then becomes the nitrogen‐doped carbonaceous support after pyrolysis for active catalyst loading. In the synthesized Pd/C(OJ) hybrid, Pd nanoparticles with a mean size of 7.3 nm are highly dispersed throughout the support, providing a larger electrochemically active surface area than commercial Pd/C. As a result, the Pd/C(OJ) electrocatalyst exhibits 1.78 times the mass activity of the latter for the MOR. The preferable performance durability of Pd/C(OJ) is also verified by using cyclic voltammetry and simulative startup−shutdown measurements.
Polyoxometalate/Polyethylene Glycol Interactions in Water: From Nanoassemblies in Water to Crystal Formation by Electrostatic Screening
Authors: Buchecker Thomas , Le Goff Xavier , Naskar Bappaditya , Pfitzner Arno , Diat Olivier , Bauduin Pierre
Published: March 2017

In the last decade organic–inorganic hybrid materials have become essential in materials science as they combine properties of both building blocks. Nowadays the main routes for their synthesis involve electrostatic coupling, covalent grafting, and/or solvent effects. In this field, polyoxometalates (POMs) have emerged as interesting inorganic functional building blocks due to their outstanding properties. In the present work the well‐known α‐Keggin polyoxometalate, α‐PW12O403− (PW), is shown to form hybrid crystalline materials with industrial (neutral) polyethylene glycol oligomers (PEG) under mild conditions, that is, in aqueous medium and at room temperature. The formation of these materials originates from the spontaneous self‐assembly of PW with EOx, (EO=ethylene oxide) with at least four EO units (x>4). The PW–PEG nanoassemblies, made of a POM surrounded by about two PEG oligomers, are stabilized by electrostatic repulsions between the negatively charged PW anions. Addition of NaCl, aimed at screening the inter‐nanoassembly repulsions, induces aggregation and formation of hybrid crystalline materials. Single‐crystal analysis showed a high selectivity of PW towards EO5–EO6 oligomers from PEG200, which is made of a mixture of EO3–8. Therefore, a general “soft” route to produce POM–organic composites is proposed here through the control of electrostatic repulsions between spontaneously formed nanoassemblies in water. However, this rational design of new POM hybrid (crystalline) materials with hydrophilic blocks, using such a simple mixing procedure of the components, requires a deep understanding of the molecular interactions.
Detecting Membrane Protein‐protein Interactions Using the Mammalian Membrane Two‐hybrid (MaMTH) Assay
Authors: Saraon Punit , Grozavu Ingrid , Lim Sang Hyun , Snider Jamie , Yao Zhong , Stagljar Igor
Published: March 2017

Protein‐protein interactions (PPIs) play an integral role in numerous cellular processes. Membrane protein interactions, in particular, are critical in cellular responses to stresses and stimuli, with dysfunction of these PPIs (e.g., due to aberrant expression and/or mutation of interaction partners) leading to a diverse array of pathological states. Exploration of the interaction space and dynamics of membrane proteins is difficult due to the limitations of current techniques used to study proteins in the biochemically complex environment of biological membranes. In the protocols below, we describe a newly developed membrane protein interaction assay called the Mammalian‐Membrane Two‐Hybrid (MaMTH), designed specifically for the detection of integral membrane PPIs in the context of living mammalian cells. Prior to using MaMTH, cell lines of interest are genetically modified to encode a reporter of choice. MaMTH “bait” and “prey” constructs of interest are also generated using Gateway cloning technology. The assay is then performed by co‐transfection of baits and preys, with bait‐prey interaction quantifiably assessed by way of a reporter signal (e.g., light (luciferase), fluorescence (GFP). © 2017 by John Wiley & Sons, Inc.
Deformability Calculation for Estimation of the Relative Stability of Chemically Modified RNA Duplexes
Authors: Masaki Yoshiaki , Sekine Mitsuo , Seio Kohji
Published: March 2017

Chemical modification of RNA duplexes alters their stability. We have attempted to develop a computational approach to estimate the thermal stability of chemically modified duplexes. These studies revealed that the deformability of chemically modified RNA duplexes, calculated from molecular dynamics simulations, could be used as a good indicator for estimating the effect of chemical modification on duplex thermal stability. This unit describes how deformability calculation can be applied to estimate the relative stability of chemically modified RNA duplexes. © 2017 by John Wiley & Sons, Inc.
2‐Pyridinyl Thermolabile Groups as General Protectants for Hydroxyl, Phosphate, and Carboxyl Functions
Authors: Brzezinska Jolanta , Witkowska Agnieszka , Kaczyński Tomasz P. , Krygier Dominika , Ratajczak Tomasz , Chmielewski Marcin K.
Published: March 2017

Application of 2‐pyridinyl thermolabile protecting groups (2‐PyTPGs) for protection of hydroxyl, phosphate, and carboxyl functions is presented in this unit. Their characteristic feature is a unique removal process following the intramolecular cyclization mechanism and induced only by temperature rise. Deprotection rate of 2‐PyTPGs is dependent on certain parameters, such as solvent (aqueous or non‐aqueous medium), pH values, and electron distribution in a pyridine ring. The presented approach pertains not only to protecting groups but also to an advanced system of controlling certain properties of 2‐pyridinyl derivatives. We improved the “chemical switch” method, allowing us to regulate the protecting group stability by inversing the electron distribution in 2‐PyTPG. Together with pH values manipulation, this allows us to regulate the protecting group stability. Moreover, phosphite cyclization to oxazaphospholidine provides a very stable but easily reversible tool for phosphate protection/modifications. For all TPGs we confirmed their utility in a system of protecting groups. This concept can contribute to designing the general protecting group that could be useful in bioorganic chemistry. © 2017 by John Wiley & Sons, Inc.
Ecological application of biotic resistance to control the invasion of an invasive plant, Ageratina altissima
Authors: Byun Chaeho , Lee Eun Ju
Published: March 2017

Biotic resistance is the ability of species in a community to limit the invasion of other species. However, biotic resistance is not widely used to control invasive plants. Experimental, functional, and modeling approaches were combined to investigate the processes of invasion by Ageratina altissima (white snakeroot), a model invasive species in South Korea. We hypothesized that (1) functional group identity would be a good predictor of biotic resistance to A. altissima, whereas a species identity effect would be redundant within a functional group, and (2) mixtures of species would be more resistant to invasion than monocultures. We classified 37 species of native plants into three functional groups based on seven functional traits. The classification of functional groups was based primarily on differences in life longevity and woodiness. A competition experiment was conducted based on an additive competition design with A. altissima and monocultures or mixtures of resident plants. As an indicator of biotic resistance, we calculated a relative competition index (RCIavg) based on the average performance of A. altissima in a competition treatment compared with that of the control where only seeds of A. altissima were sown. To further explain the effect of diversity, we tested several diversity–interaction models. In monoculture treatments, RCIavg of resident plants was significantly different among functional groups but not within each functional group. Fast‐growing annuals (FG1) had the highest RCIavg, suggesting priority effects (niche pre‐emption). RCIavg of resident plants was significantly greater in a mixture than in a monoculture. According to the diversity–interaction models, species interaction patterns in mixtures were best described by interactions between functional groups, which implied niche partitioning. Functional group identity and diversity of resident plant communities were good indicators of biotic resistance to invasion by introduced A. altissima, with the underlying mechanisms likely niche pre‐emption and niche partitioning. This method has most potential in assisted restoration contexts, where there is a desire to reintroduce natives or boost their population size due to some previous level of degradation.
Facile synthesis and application of teicoplanin‐modified magnetic microparticles for enantioseparation
Authors: Wang Huijuan , An Xuehan , Deng Xiaojuan , Ding Guosheng
Published: March 2017

A facile, mild method for the preparation of teicoplanin (TE) modified Fe3O4 microparticles (MPs) employing polydopamine (PDA) layer as a versatile secondary reaction platform was developed. The synthesized magnetic MPs (Fe3O4@PDA@TE) were characterized by various characterization techniques, such as TEM, zeta potential etc, to affirm the successful modification of TE to magnetic Fe3O4 MPs. Using the as‐synthesized materials as chiral adsorbents, efficient chiral separation of representative racemic compounds was successfully achieved. Due to the magnetic responsivity, the materials were easily isolated from the racemic solutions under an external magnetic field and could be readily reused for at least three times. Thus, the well‐prepared functional magnetic MPs have great potential in preparative chiral separation.
A nutritional supplement containing lactoferrin stimulates the immune system, extends lifespan, and reduces amyloid β peptide toxicity in Caenorhabditis elegans
Authors: Martorell Patricia , Llopis Silvia , Gonzalez Nuria , Ramón Daniel , Serrano Gabriel , Torrens Ana , Serrano Juan M. , Navarro Maria , Genovés Salvador
Published: March 2017

Lactoferrin is a highly multifunctional glycoprotein involved in many physiological functions, including regulation of iron absorption and immune responses. Moreover, there is increasing evidence for neuroprotective effects of lactoferrin. We used Caenorhabditis elegans as a model to test the protective effects, both on phenotype and transcriptome, of a nutraceutical product based on lactoferrin liposomes. In a dose‐dependent manner, the lactoferrin‐based product protected against acute oxidative stress and extended lifespan of C. elegans N2. Furthermore, Paralysis of the transgenic C. elegans strain CL4176, caused by Aβ1‐42 aggregates, was clearly ameliorated by treatment. Transcriptome analysis in treated nematodes indicated immune system stimulation, together with enhancement of processes involved in the oxidative stress response. The lactoferrin‐based product also improved the protein homeostasis processes, cellular adhesion processes, and neurogenesis in the nematode. In summary, the tested product exerts protection against aging and neurodegeneration, modulating processes involved in oxidative stress response, protein homeostasis, synaptic function, and xenobiotic metabolism. This lactoferrin‐based product is also able to stimulate the immune system, as well as improving reproductive status and energy metabolism. These findings suggest that oral supplementation with this lactoferrin‐based product could improve the immune system and antioxidant capacity. Further studies to understand the molecular mechanisms related with neuronal function would be of interest.
Node‐positive cutaneous squamous cell carcinoma of the head and neck: Survival, high‐risk features, and adjuvant chemoradiotherapy outcomes
Authors: Amoils Misha , Lee Carolyn S. , Sunwoo John , Aasi Sumaira Z. , Hara Wendy , Kim Jinah , Sirjani Davud , Colevas A. Dimitrios , Chang Anne Lynn S. , Divi Vasu
Published: March 2017

Background

Data lacks to guide treatment of regionally metastatic cutaneous head and neck squamous cell carcinoma (HNSCC).

Methods

We conducted a retrospective review of 80 patients treated for regionally metastatic cutaneous HNSCC. The effect of various clinicopathologic variables on overall survival (OS) was investigated, in addition to outcomes by treatment modality.

Results

On multivariate regression, cutaneous primary >2 cm (p = .03) and extracapsular spread (ECS; p = .01) were significantly associated with decreased OS. Location of regional metastasis (neck vs parotid vs both) had no effect on OS (p = .2), nor did the presence of a cutaneous primary at the time of presentation (p = .9). The 3‐year survival was 43%, 52%, and 49% for surgery alone, adjuvant radiation, and adjuvant chemoradiation, respectively. Fifty‐one percent of patients had a recurrence of their disease.

Conclusion

Regionally metastatic cutaneous HNSCC is an aggressive disease associated with high recurrence rates. Patients with tumors >2 cm and ECS have poorer OS despite adjuvant therapy. © 2017 Wiley Periodicals, Inc. Head Neck 39: 881–885, 2017
Defining the surgical margins of adenoid cystic carcinoma and their impact on outcome: An international collaborative study
Authors: Amit Moran , Na'ara Shorook , Trejo–Leider Leonor , Ramer Naomi , Burstein David , Yue Ma , Miles Brett , Yang Xinjie , Lei Delin , Bjoerndal Kristine , Godballe Christian , Mücke Thomas , Wolff Klaus‐Dietrich , Eckardt André M. , Copelli Chiara , Sesenna Enrico , Patel Snehal , Ganly Ian , Gil Ziv
Published: March 2017

Background

The mainstay of treatment in adenoid cystic carcinoma (ACC) of the head and neck is surgical resection with negative margins. The purpose of this study was to define the margin status that associates with survival outcomes of ACC of the head and neck.

Methods

We conducted univariate and multivariate analyses of international data.

Results

Data of 507 patients with ACC of the head and neck were analyzed; negative margins defined as ≥5 mm were detected in 253 patients (50%). On multivariate analysis, the hazard ratios (HRs) of positive margin status were 2.68 (95% confidence interval [CI], 1.2–6.2; p = .04) and 2.63 (95% CI, 1.1–6.3; p = .03) for overall survival (OS) and disease‐specific survival (DSS), respectively. Close margins had no significant impact on outcome, with HRs of 1.1 (95% CI, 0.4–3.0; p = .12) and 1.07 (95% CI, 0.3–3.4; p = .23) for OS and DSS, respectively, relative with negative margins.

Conclusion

In head and neck ACC, positive margins are associated with the worst outcome. Negative or close margins are associated with improved outcome, regardless of the distance from the tumor. © 2017 Wiley Periodicals, Inc. Head Neck 39: 1008–1014, 2017
Introduction to the Special Section: Advances in psychological prevention and treatment interventions to promote children's mental health
Authors: Gewirtz Abigail H. , Youssef Adriana
Published: March 2017

This paper introduces the Special Section on Advances in Psychological Prevention and Treatment Interventions to Promote Children's Mental Health. The three articles in the Special Section provide perspectives on the adaptation, evaluation, and implementation of evidence‐based psychological interventions for children in countries in Northern and Eastern Europe, and Latin America. The articles highlight disparate methodologies for the examination of intervention data, including addressing causal inference in the absence of availability of true experiment data (i.e., randomised controlled trial data), randomised trial data from a school‐based prevention programme, and predictors of change in an evidence‐based treatment programme. Together, the articles highlight the movement of evidence‐based practices into routine care settings and emerging strategies for settings in which randomised trial data are not yet available. They demonstrate the contribution of psychological research to the advancement of practices for improving children's mental health.
Herbicide oryzalin inhibits human carbonic anhydrases in vitro
Authors: Baranauskiene Lina , Matulis Daumantas
Published: March 2017

Herbicides of the dinitroaniline chemical class, widely used oryzalin and trifluralin, and also nitralin were tested as inhibitors of recombinant human carbonic anhydrases (CAs). Oryzalin bound and inhibited 11 out of 12 catalytically active CA isoforms present in the human body with the affinities in the same range as clinically used CA drugs, while no effect was detected for the other two compounds. Binding of all three herbicides was examined by fluorescence‐based thermal shift assay, isothermal titration calorimetry, and the inhibition of carbon dioxide hydratase activity. During the last decade, dinitroaniline compound‐based therapies against protozoan diseases are being developed. Therefore, it is important to investigate their potential off‐target effects, including human CAs.
Enriched Environment Increases PCNA and PARP1 Levels in Octopus vulgaris Central Nervous System: First Evidence of Adult Neurogenesis in Lophotrochozoa
Authors: Bertapelle Carla , Polese Gianluca , Di Cosmo Anna
Published: March 2017

Organisms showing a complex and centralized nervous system, such as teleosts, amphibians, reptiles, birds and mammals, and among invertebrates, crustaceans and insects, can adjust their behavior according to the environmental challenges. Proliferation, differentiation, migration, and axonal and dendritic development of newborn neurons take place in brain areas where structural plasticity, involved in learning, memory, and sensory stimuli integration, occurs. Octopus vulgaris has a complex and centralized nervous system, located between the eyes, with a hierarchical organization. It is considered the most “intelligent” invertebrate for its advanced cognitive capabilities, as learning and memory, and its sophisticated behaviors. The experimental data obtained by immunohistochemistry and western blot assay using proliferating cell nuclear antigen and poli (ADP‐ribose) polymerase 1 as marker of cell proliferation and synaptogenesis, respectively, reviled cell proliferation in areas of brain involved in learning, memory, and sensory stimuli integration. Furthermore, we showed how enriched environmental conditions affect adult neurogenesis.
A simple method to assess the impact of sealing, headspace mixing and pressure vent on airtightness of manually closed chambers
Authors: Hoffmann Mathias , Pehle Natalia , Huth Vytas , Jurisch Nicole , Sommer Michael , Augustin Jürgen
Published: March 2017

Within a full‐factorial laboratory experiment, three different designs and two modifications of typical manual closed chamber setups were tested for sealing integrity. Tests were performed using a simple method, based on injections of single CO2 pulses. Chamber designs differed in V:A‐ratio and chamber‐collar sealing (water, rubber‐foam, rubber‐tube). All chambers were tested with and without pressure vent and fan. Our results indicate significant differences in sealing integrity due to chamber‐collar sealing strategy. Especially rubber sealing turned out to be characterized by a certain non‐reliability. The effect of vent and fan, however, was of minor importance. The proposed setup is an effective way to assess the airtightness of manual chambers for subsequent field studies.
Impact of pyrochar and hydrochar on soybean (Glycine max L.) root nodulation and biological nitrogen fixation
Authors: Scheifele Michael , Hobi Andrea , Buegger Franz , Gattinger Andreas , Schulin Rainer , Boller Thomas , Mäder Paul
Published: March 2017

The aim of this study was to identify effects of carbonized organic material (“biochar”) on soybean growth, root nodulation and biological nitrogen fixation, and to elucidate possible underlying mechanisms.

Soybean (Glycine max L.) was grown in four arable soils amended with carbonized organic material produced from wood or maize as feedstocks, by pyrolysis (“pyrochar”) or hydrothermal carbonization (“hydrochar”). Nodulation by Bradyrhizobium, biological nitrogen fixation (BNF) assessed by 15N techniques, plant growth, nutrient uptake and changes in chemical soil properties after soil amendment were determined. Data were analyzed by means of a three way ANOVA on the factors soil, carbonization technique and feedstock. It turned out that soybean root nodulation and BNF was influenced by the carbonization technique used to prepare the soil amendment. Hydrochar, in average and across all soils, increased nodule dry matter and BNF by factors of 3.4 and 2.3, respectively, considerably more than pyrochar, which led to 1.8 and 1.2 fold increases, respectively. Nodule dry matter and BNF correlated positively with available soil sulfur and negatively with available soil nitrogen. Hydrochars provided more available sulfur than pyrochars, and hydrochars caused a decrease in nitrogen availability in the soil solution, thereby exerting a positive influence on nodulation and BNF. Pyrochar amendment increased soil pH but had no effect on nodulation and BNF. Plant growth was affected by the soil and by the feedstock used for the “biochar”, and increased slightly more in treatments with pyrochar and hydrochar made from maize, which was richer in nitrogen and potassium.

The results show that carbonized organic materials, and specifically hydrochar, have the capacity to increase BNF in soils. We suggest that this enhancement in BNF in response to soil amendments with carbonized organic materials is due to an increase in available sulfur and a reduction of available soil nitrogen.
RAFT Inverse Microemulsion Polymerization: Effects of Monomer Solubility and Different Types of Initiators
Authors: Oliveira Marco
Published: March 2017

The effects of monomer solubility and different types of initiators are for the first time reported for a reversible addition–fragmentation chain transfer (RAFT) inverse microemulsion polymerization system. 2‐(dimethylamino)ethyl methacrylate is selected as monomer due to its solubility in several solvents. A nonionic surfactant, cyclohexane, and a trithiocarbonyl RAFT chain transfer agent (CTA) are also used as main components. The reactions are performed adjusting the dispersed aqueous phase with selected pH values (5, 7, and 10), using an oil‐soluble or a water‐soluble initiator. In this microemulsion system, the RAFT process is especially influenced by the mono­mer content in the dispersed aqueous phase, directly related to the final pH. It is suggested that monomer diffusion and changes in the monomer/CTA ratio at the polymerization loci are the primary reasons for the different behaviors observed, specially those related to the molar mass properties.

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Comparative study on the deformation behavior, structural evolution, and properties of biaxially stretched high‐density polyethylene/carbon nanofiller (carbon nanotubes, graphene nanoplatelets, and carbon black) composites
Authors: Xiang Dong , Wang Lei , Zhang Qingquan , Chen Biqiong , Li Yuntao , Harkin‐Jones Eileen
Published: March 2017

In this article, a comparative study of biaxial stretching at different stretching ratios for melt mixed high‐density polyethylene (HDPE)/carbon nanofiller composites containing 4 wt% multiwalled carbon nanotubes (MWCNTs), graphene nanoplatelets (GNPs) or carbon black (CB) was conducted in order to investigate the influence of the carbon nanofillers on the processability of the material and on its final properties after processing. It is shown that the addition of carbon nanofillers results in a significant strain hardening behavior upon biaxial stretching, greatly improving the deformation stability and thus processability of the material. The reinforcement effectiveness of the nanofillers in strain hardening behavior is CB < MWCNTs < GNPs. The GNPs exhibit the most efficient reinforcement in modulus for the stretched samples, while the CB exhibits the most efficient reinforcement in tensile strength. Biaxial deformation destroys the conductive pathways of the nanofillers due to an increased interparticle distance and the destruction of nanofiller network structure. The MWCNT‐filled composites exhibit a more robust conductive network during stretching as a result of more interlacing or entanglement of the one‐dimensional nanotubes. The oxygen permeability coefficient of the material decreases significantly with the addition of GNPs, and which can be further reduced by two orders of magnitude after biaxial deformation due to the parallel alignment of two‐dimensional GNPs in the stretching plane. This study provides important information on the selection of carbon nanofillers for the processing and design of multifunctional polymer composites. POLYM. COMPOS., 39:E909–E923, 2018. © 2017 Society of Plastics Engineers
Optimization of preparation of thermally stable cellulose nanofibrils via heat‐induced conversion of ionic bonds to amide bonds
Authors: Lavoine Nathalie , Bras Julien , Saito Tsuguyuki , Isogai Akira
Published: March 2017

Improving the thermal stability of nanocelluloses is important for practical applications such as melt compounded nanocellulose‐reinforced polymer composites and flexible substrates for nanocellulose‐containing electronic devices. Here, we report optimum conditions for a straightforward surface modification strategy for improving the thermal stability of 2,2,6,6‐tetramethypiperidine‐1‐oxyl (TEMPO)‐oxidized cellulose nanofibrils (TOCNs); the heat‐induced conversion of TOCN alkyl ammonium carboxylates to amides. Different amine‐terminated compounds (R‐NH2) were grafted onto the surface of TOCNs under aqueous conditions. The influences of R‐NH2 molecular weight, R‐NH2/TOCN‐COOH molar ratio, and thermal stability of R‐NH2 on the properties of the grafted TOCN films were investigated through infrared spectroscopy and thermogravimetric analysis. For maximum thermal improvement of up to 90 °C, complete ionic bonding of TOCN carboxy groups with R‐NH2 was required, as well as proper selection of the R‐NH2 compound. A controlled heating process was also needed to achieve effective ionic‐to‐amide bond conversion. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017, 55, 1750–1756
A Bayesian sequential design with binary outcome
Authors: Zhu Han , Yu Qingzhao , Mercante Donald E.
Published: March 2017

Several researchers have proposed solutions to control type I error rate in sequential designs. The use of Bayesian sequential design becomes more common; however, these designs are subject to inflation of the type I error rate. We propose a Bayesian sequential design for binary outcome using an alpha‐spending function to control the overall type I error rate. Algorithms are presented for calculating critical values and power for the proposed designs. We also propose a new stopping rule for futility. Sensitivity analysis is implemented for assessing the effects of varying the parameters of the prior distribution and maximum total sample size on critical values. Alpha‐spending functions are compared using power and actual sample size through simulations. Further simulations show that, when total sample size is fixed, the proposed design has greater power than the traditional Bayesian sequential design, which sets equal stopping bounds at all interim analyses. We also find that the proposed design with the new stopping for futility rule results in greater power and can stop earlier with a smaller actual sample size, compared with the traditional stopping rule for futility when all other conditions are held constant. Finally, we apply the proposed method to a real data set and compare the results with traditional designs.
An idealized test case for assessing the linearization of tracer transport schemes in NWP models
Authors: Kent James , Holdaway Daniel
Published: March 2017

The linearized version of a numerical weather prediction (NWP) model, which consists of its tangent linear model (TLM) and adjoint, has a number of important applications in atmospheric modelling. As such it is important that the linearized version of the NWP model can provide an accurate representation of the perturbation growth that occurs in the nonlinear model and does not introduce spurious instability. A suite of test cases, built upon existing frameworks, are developed to assess the accuracy of the linearization of the tracer transport component of the NWP model. Deformation velocities are prescribed that return the tracer back to the initial conditions, thus providing an analytical solution. A selection of smooth and discontinuous tracers and tracer perturbations are used.

Example results are shown using second‐order and third‐order tracer transport schemes, both with and without nonlinear flux limiters. Metrics are offered for assessing the skill of the linearization and predicting when problems will occur. For the example schemes used, the results show that linearizations of the nonlinear flux‐limited transport schemes behave poorly due to the presence of unstable modes. Some linearized model implementation strategies are offered for situations where the nonlinear scheme should not be linearized.
Robust consensus of unicycles using ternary and hybrid controllers
Authors: Jafarian Matin
Published: March 2017

This paper presents consensus of the orientations and average positions for a group of unicycles using ternary and hybrid controllers. The decentralized controllers designed to reach consensus of the average positions take only values in the set {−1,0,+1}. In addition, a hybrid controller is introduced to control the orientations. Finite‐time practical consensus of the average positions is proven despite the simple ternary control laws together with asymptotic consensus of the orientations. Furthermore, the consensus problem is studied in the presence of matched input disturbances that are locally rejected using an internal‐model‐based controller. The analysis is performed in a hybrid framework. Simulation results illustrate the effectiveness of the design. Copyright © 2017 John Wiley & Sons, Ltd.
An Amino Sugar Promoted Green Protocol: A One‐Pot, Meglumine‐Catalyzed, Multicomponent Strategy for Synthesis of Multifaceted Pyrroloacridin‐1(2H)‐one Derivatives
Authors: Rai Pratibha , Mishra Anu , Srivastava Madhulika , Yadav Snehlata , Bhartendu Pati Tripathi  , Singh Jaya , Singh Jagdamba
Published: March 2017

A concise and convenient meglumine catalysed, multicomponent, one pot synthetic pathway for pyrroloacridine via 1,3 diketones, aniline and isatin in ethanol:water mixed solvent system has been proposed. Use of an enviromentally benign catalyst, meglumine, an amino sugar was preferred due to remarkable properties such as being inexpensive, recyclable, physiologically inactive and biodegradable. Green reaction condition, broad substrate scope, operational simplicity, incorporation of an eco‐efficient catalyst, formation of C−N bond and high yields of product are some important hallmarks of the proposed strategy.
Asymmetric Synthesis of 3‐Amino Oxindoles Using Isatin‐Derived N‐Boc Ketimines with Activated Nitroolefin Catalyzed by Organocatalysts
Authors: Choudhary Manoj K. , Menapara Tusharkumar , Tak Rajkumar , Kureshy Rukhsana I. , Khan Noor‐ul H.
Published: March 2017

Asymmetric synthesis of 3‐aminooxindole via aza‐MBH reaction by using isatin‐derived N‐Boc ketimines with activated nitroolefin (2 and 3) is reported for the first time by using various organocatalysts where chiral thiourea‐based organocatalyst OC‐7 was found to be better catalyst to give the products in high yield with high diastereoselectivity (up to >99:1) and good enantioselectivity (up to 97:3 er). A probable mechanism for the formation of 3‐aminooxindole is established by 1H & 13C NMR studies.
Self‐administered rhubarb‐free kyoseihatekigan has novel anti‐asthma effects: Two case reports
Authors: Kimura Ikuko , Kagawa Syota , Nishimura Kaori
Published: March 2017

Cases

A sudden asthma attack in patient 1, a 36‐year‐old man, was treated with standard anti‐asthma drugs; and patient 2, a 76‐year‐old woman, developed asthma 6 years earlier that worsened every winter. Standard anti‐asthma drugs inadequately improved their symptoms.

Outcomes

Self‐administered rhubarb‐free kyoseihatekigan (xiang‐sheng‐po‐di wan) remarkably improved the asthma symptoms of patient 1, who required fewer prescription drugs and lower doses thereafter, and in patient 2, who discontinued prescription drugs.

Conclusions

Rhubarb‐free kyoseihatekigan improves throat conditions such as laryngitis and hoarseness and does not require a prescription. These two case reports, however, indicate that rhubarb‐free kyoseihatekigan also has novel anti‐asthma effects.
The Newton linseed oil thermometer: an evaluation of its departure from linearity
Authors: Camuffo Dario , della Valle Antonio
Published: March 2017

This paper considers the bias of the Newton linseed oil thermometer with respect to the non‐linearity of thermometric liquid expansion. The bias is larger than for mercury thermometers but much smaller (5 times less) than for alcohol thermometers. The bias of linseed oil thermometers increases with temperature, and the maximum is achieved in summer; in the UK it may underestimate the temperature by as much as −0.5 degC relative to mercury thermometers. The evaluation of the bias has been possible thanks to some calibration experiments performed in the eighteenth and nineteenth century.
Lusternik-Schnirelman-theory for Lagrangian intersections
Authors: Hofer H.
Published: March 2017

Consider a compact symplectic manifold

(M, ω)

together with a pair

(L, L_1)

of isotopic compact Lagrangian submanifolds such that

π_2(M, L) = 0

.

Using Gromov’s theory of (almost) holomorphic curves the cohomological properties of a family of holomorphic disks are studied. By means of a stretching construction for those disks and a Lusternik–Schnirelman theory in compact topological spaces cuplength estimates for the intersection set

L ∩ L_1

are derived.

On examiṅe une variété symplectique compacte

(M, ω)

munie d’un couple

(L_0, L_1)

de sous-variétés lagrangiennes isotopes telles que

π_2(M, L) = 0

.

En utilisant la théorie des courbes presque holomorphes, développée par Gromov, on étudie la cohomologie de certaines familles de disques holomorphes. On en déduit, par la théorie de Lusternik–Schnirelman, des estimations du cuplength de l’intersection

L_0 ∩ L_1

.
On a non linear partial differential equation having natural growth terms and unbounded solution
Authors: Murat F. , Bensoussan A. , Boccardo L.
Published: March 2017

We prove the existence of a solution of the nonlinear elliptic equation:

A(u) + g(x, u,\mathrm Du) = h(x)

, where

A

is a Leray–Lions operator from

\mathrm{W}_{0}^{1,\:p}\left(\mathrm{\Omega }\right)

into

W^{−1, p'}(Ω)

and

g

is a nonlinear term with “natural” growth with respect to

\mathrm Du

[i.e. such that

|g(x, u, ξ)| ≦ b(|u|) (|ξ|^p+ c(x))

], satisfying the sign condition

g(x, u, ξ)u ≧ 0

but no growth condition with respect to

u

. Here

h

belongs to

W^{−1, p'}(Ω)

, thus the solution

u

of the problem does not in general be more smooth than

\mathrm{W}_{0}^{1,\:p}\left(\mathrm{\Omega }\right)

. The existence of a solution is also proved for the corresponding obstacle problem.

Nous démontrons l’existence d’une solution du problème elliptique non linéaire

A(u) + g(x, u,\mathrm Du) = h(x)

, où

A

est un opérateur de Leray–Lions de

\mathrm{W}_{0}^{1,p}\left(\mathrm{\Omega }\right)

à valeurs dans

W^{−1, p'}(Ω)

et où

g

est un terme non linéaire à croissance « naturelle » en

\mathrm Du

[i.e. tel que

|g(x, u, ξ)| ≦ b(|u|) (|ξ|^p+ c(x))

], qui satisfait la condition de signe

g(x, u, ξ)u ≧ 0

mais dont la croissance en

u

n’est pas limitée. Le second membre

h

appartient à

W^{−1, p'}(Ω)

, et la solution

u

du problème n’est donc pas, en général, plus régulière que

\mathrm{W}_{0}^{1,p}(\mathrm{\Omega })

. Nous démontrons également l’existence d’une solution pour l’inéquation variationnelle avec obstacle associée à ce problème.