bluuebunny/crossref_metadata_2025 huggingface dataset:
A new characteristic approach for incompressible thermo‐flow in Cartesian and non‐Cartesian grids
Authors: Adibi T. , Razavi S. E.
Published: May 2015

A virtual‐characteristic approach is developed for thermo‐flow with finite‐volume methodology in which a multidimensional characteristic (MC) scheme is applied along with artificial compressibility. To obtain compatibility equations and pseudo‐characteristics, energy equation is taken into account in the MC scheme. With this inherent upwinding of convective fluxes, no artificial viscosity is required even at high Reynolds numbers. Another remarkable advantage of the MC scheme lies in its faster convergence rate with respect to the averaging scheme that is found to exhibit substantial delays in convergence. As benchmarks, forced and mixed convections in a cavity and in flow over cylinder and between parallel plates are examined for a wide range of Reynolds, Grashof, and Prandtl numbers. The MC and averaging schemes are applied for simulation purposes. Results show the better performance of the MC scheme in forced and mixed convections. Results confirm the robustness of the MC scheme in terms of accuracy and convergence. Copyright © 2015 John Wiley & Sons, Ltd.
Plasminogen activator inhibitor‐1 as regulator of tumor‐initiating cell properties in head and neck cancers
Authors: Lee Yueh‐Chun , Yu Cheng‐Chia , Lan Chih , Lee Che‐Hsin , Lee Hsueh‐Te , Kuo Yu‐Liang , Wang Po‐Hui , Chang Wen‐Wei
Published: May 2015

Background

The existence of tumor‐initiating cells (TICs) has been described in head and neck cancers. Plasminogen activator inhibitor‐1 (PAI‐1) has been demonstrated to act as a prognostic factor in head and neck cancers.

Methods

Tiplaxtinin (PAI‐039), a specific inhibitor of PAI‐1, and PAI‐1‐specific siRNA were used to examine the role of PAI‐1 in the self‐renewal property of head and neck cancer‐TICs by tumorsphere formation. Western blot, real‐time polymerase chain reaction, and luciferase‐based reporter assay were used to study the effect of PAI‐039 in the sex‐determining region Y‐box 2 (Sox2) expression.

Results

PAI‐039 suppressed the self‐renewal capability of head and neck cancer‐TICs derived from head and neck cancer cell lines through the inhibition of Sox2 expression. PAI‐039 decreased the activity of the core promoter and the enhancer of the Sox2 gene in head and neck cancer‐TICs. Knockdown of PAI‐1 expression also inhibited self‐renewal and radioresistance properties of head and neck cancer‐TICs.

Conclusion

The inhibition of PAI‐1 by PAI‐039 or siRNA could suppress head and neck cancer‐TICs within head and neck cancer cell lines through the downregulation of Sox2. © 2015 Wiley Periodicals, Inc. Head Neck 38: E895–E904, 2016
Toxicity of concomitant cetuximab and radiotherapy with or without initial taxane‐based induction chemotherapy in locally advanced head and neck cancer
Authors: Levy Antonin , De Felice Francesca , Bellefqih Sara , Guigay Joël , Deutsch Eric , Nguyen France , Blanchard Pierre , Tao Yungan
Published: May 2015

Background

The purpose of this study was to evaluate the tolerability of concurrent radiotherapy and cetuximab (bioradiotherapy [BRT]) after taxane‐based induction chemotherapy in head and neck squamous cell carcinoma (HNSCC).

Methods

One hundred four patients with HNSCC received BRT with (29%) or without (71%) prior taxane‐based induction chemotherapy.

Results

Radiodermatitis (97%) and skin rash (65%) occurred frequently, but there was no difference of occurrence or the grade of the rash observed in the 2 populations. However, patients receiving taxane‐based induction chemotherapy had a less severe rash as compared with patients without induction chemotherapy. Mucositis and dysphagia were frequent and comparable in the 2 groups. The occurrence of a skin rash (at any grade) did not predict an increased overall survival (OS) in the overall population, but it was associated with an improved 3‐year OS in patients receiving taxane‐based induction chemotherapy. OS was not influenced by the skin rash grade in the overall population of the 2 treatment subgroups.

Conclusion

Taxane‐based induction chemotherapy did not increase the rate of cetuximab‐related toxicities. © 2015 Wiley Periodicals, Inc. Head Neck 38: E905–E910, 2016
Dye‐Sensitized Tandem Solar Cells with Extremely High Open‐Circuit Voltage Using Co(II)/Co(III) Electrolyte
Authors: Choi Won Seok , Choi In Taek , You Ban Seok , Yang Ji‐Woon , Ju Myung Jong , Kim Hwan Kyu
Published: May 2015

For achieving a high open‐circuit voltage (Voc) in dye‐sensitized tandem solar cells, series‐connected tandem solar cells were fabricated. In order to optimize series‐connected tandem solar cell systems, the current density of the top and bottom cells should be well matched to be identical, and the Voc of each of the cells should also be as high as possible. Furthermore, the top cell should be transparent and the bottom cell should have the longer‐wavelength absorption, for utilizing only the light passing through the top cell. This leads to a high Voc. In this study, we report dye‐sensitized tandem solar cells having an extremely high Voc using the Co(bpy)32+/3+ (bpy=2,2′‐bipyridine) redox couple. Dye‐sensitized tandem solar cells employing JK303/HC‐A1 with the Co(bpy)32+/3+ redox couple as the top cell and N749/HC‐A4 with the I−/I3− redox couple as the bottom cell were shown to have an extremely high Voc of >1.66 V, the highest value for dye‐sensitized tandem solar cells reported to date.
Electrochemical Impedance Spectroscopic Analysis of Sensitization‐Based Solar Cells
Authors: Mahbubur Rahman Md. , Chandra Deb Nath Narayan , Lee Jae‐Joon
Published: May 2015

Electrochemical impedance spectroscopy (EIS) is a very powerful tool for elucidation of charge transfer and transport processes in sensitization‐based solar cells (e.g., dye‐sensitized solar cells [DSSCs], quantum dot‐sensitized solar cells [QDSSCs], and perovskite solar cells [PSCs]). EIS measures the electrochemical response to small amplitude AC signals over a wide range of frequencies. Analysis of the EIS response provides information about the corresponding parameters of the cells. Here, we review the fundamentals of EIS, charge transport kinetic processes, and equivalent circuit models of sensitization‐based solar cells and use these concepts to explain the EIS spectra of DSSCs, QDSSCs, and PSCs. This review will be very useful for understanding the fundamental charge transfer and transport processes in different sensitization‐based solar cells and the use of an equivalent circuit model to interpret the observed charge transfer and reactions.
Circadian typology and the Alternative Five‐Factor Model of personality
Authors: Tonetti Lorenzo , Pascalis Vilfredo De , Fabbri Marco , Martoni Monica , Russo Paolo Maria , Natale Vincenzo
Published: May 2015

Two studies were carried out to explore the relationship between circadian typology and the Alternative Five‐Factor Model of personality. In the first study, 379 participants (232 females) were administered the reduced version of the Morningness‐Eveningness Questionnaire and the Zuckerman–Kuhlman Personality Questionnaire. Evening types reported higher impulsive sensation‐seeking scores than morning and intermediate types, whereas morning types scored higher than evening types on activity factor. In the second study, the association between morningness and activity personality factor was verified through the objective‐actigraphic monitoring of the rest‐activity cycle. Actigraphy allowed us to operationalise both circadian typology, through the computing of midpoint of sleep (early values, expressed in hours and minutes, correspond to an advanced phase of the sleep/wake cycle), and activity factor by the means of motor activity recording. Fifty‐one individuals (30 females) wore an actigraph on the nondominant wrist continuously for 1 week. A negative correlation was observed between midpoint of sleep and mean diurnal motor activity, demonstrating that an early phase of the sleep/wake cycle (i.e. morningness preference) was related to higher diurnal motor activity. Assessed both subjectively and objectively, the results of both studies highlight a significant relationship between morningness and activity personality factor.
Soft Computing Techniques for Querying XBRL Data
Authors: Reformat Marek Z. , Yager Ronald R.
Published: May 2015

Availability of business data is an important aspect of effective financial activities. An easy access to financial information has immense influence on actions and decisions regarding investing, trade and operations of companies and firms. The proposed standard – eXtensible Business Reporting Language (XBRL) – provides a means to create a uniform framework for representing corporate and financial information. XBRL defines an easily interpretable, machine‐readable and XML‐based data format. Its flexibility allows for representing business data using different languages, as well as following different regulation standards.

One of important benefits of XBRL is application of XML‐based tools and systems that enable easy preparation, processing and validation of corporate data. It is also possible to use XML‐based storage and query systems.

In this paper we propose and describe a concept of soft queries. They provide the users with a human‐friendly interface for interacting with XBRL data. These queries are equipped with linguistic terms (such as large, medium, small) and linguistic qualifiers (all, mostly). Such queries are able to provide the users with results similar to the results obtained when they analyse data themselves. Linguistic terms and qualifiers are represented as fuzzy sets. Fuzzy‐based operations and aggregation operators allow for mimicking a human‐like processing of data. The proposed approach is illustrated with queries executed on an XBRL document. Copyright © 2015 John Wiley & Sons, Ltd.
Bioeffects of micron‐size magnesium particles on inflammatory cells and bone turnover in vivo and in vitro
Authors: Guo Chengzhi , Li Jian , She Chang , Shao Xiangzhi , Teng Bin , Feng Jing , Zhang Jian V. , Ren Pei‐Gen
Published: May 2015

Magnesium (Mg) is a promising biodegradable metal offering many potential advantages over current scaffold technologies. Many studies have reported on the corrosion characteristics the Mg and its bioeffects in vitro and in vivo, but there are few studies on the biological effects of the corrosive products of Mg ‐ the micron‐size Mg particles (MgMPs). In this study, the effects of size‐selected commercial MgMPs on bone turnover and macrophages were investigated in vivo and in vitro. We found that MgMPs were susceptible to engulfment by macrophages, leading to cell lysis, likely resulting from H2 gas production. We also found that the inflammatory cytokines IL‐1, IL‐6, and TNF‐α were induced more strongly by titanium particles (TiMPs) group than by either MgMPs or control. Examination of the expression of bone remodeling markers revealed that MgMPs are beneficial for bone regeneration. Micro‐CT scanning indicated that, 30 days postimplantation, unlike TiMPs, MgMPs had no adverse effect on either bone quality or quantity. We have investigated the bioeffects of micron‐size MgMPs in vivo and in vitro, and our results indicate that MgMPs may promote bone regeneration without inducing inflammation. © 2015 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 104B: 923–931, 2016.
Novel protein‐repellent and biofilm‐repellent orthodontic cement containing 2‐methacryloyloxyethyl phosphorylcholine
Authors: Zhang Ning , Zhang Ke , Melo Mary Anne S. , Chen Chen , Fouad Ashraf F. , Bai Yuxing , Xu Hockin H. K.
Published: May 2015

The objectives of this study were to develop the first protein‐repellent resin‐modified glass ionomer cement (RMGI) by incorporating 2‐methacryloyloxyethyl phosphorylcholine (MPC) for orthodontic applications, and to investigate the MPC effects on protein adsorption, biofilm growth, and enamel bond strength. MPC was incorporated into RMGI at 0% (control), 1.5%, 3%, and 5% by mass. Specimens were stored in water at 37°C for 1 and 30 days. Enamel shear bond strength (SBS) was measured, and the adhesive remnant index (ARI) scores were assessed. Protein adsorption onto the specimens was determined by a micro bicinchoninic acid method. A dental plaque microcosm biofilm model with human saliva as inoculum was used. The results showed that adding 3% of MPC into RMGI did not significantly reduce the SBS (p > 0.1). There was no significant loss in SBS for RMGI containing 3% MPC after water‐aging for 30 days, as compared to 1 day (p > 0.1). RMGI with 3% MPC had protein adsorption that was 1/10 that of control. RMGI with 3% MPC greatly reduced the bacterial adhesion, and lactic acid production and colony‐forming units of biofilms, while substantially increasing the medium solution pH containing biofilms. The protein‐repellent and biofilm‐repellent effects were not decreased after water‐aging for 30 days. In conclusion, the MPC‐containing RMGI is promising to reduce biofilms and white spot lesions without compromising orthodontic bracket‐enamel bond strength. The novel protein‐repellent method may have applicability to other orthodontic cements, dental composites, adhesives, sealants, and cements to repel proteins and biofilms. © 2015 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 104B: 949–959, 2016.
Detection of Two Drug‐Resistance Mutants of the Cytomegalovirus by High‐Resolution Melting Analysis
Authors: Chen Xiao‐Fan , Li Tian‐Run , Yang Hong , Shao Yong , Zhang Jie , Zhang Wei , Yu Bo , Wei Zhun , Wu Bo , Yu Lin
Published: May 2015

Background

Human cytomegalovirus (CMV) is an opportunistic pathogen that can be treated with ganciclovir. Mutations in the UL97 gene of CMV render the virus ganciclovir resistance. These include H520Q and C603W mutations, against which we developed a novel genotyping assay for their identification.

Methods

PCR reactions were performed to amplify fragments of the UL97 gene containing H520Q or C603W mutations. High resolution melting analysis (HRMA) coupled with unlabeled DNA probes was employed to identify the shift in melting temperature of the probe–template complex, which reflexes the presence of point mutations.

Results

Melting point analysis performed on the dimeric DNA of PCR products of UL97 gene could not identify mutations in the gene. When coupled to unlabeled probes, point mutations in UL97 can be identified by analyzing the melting curve of probe–template complex. When WT and mutant UL97 DNAs were mixed together to mimic heterogeneous viral population in clinical samples, the genotyping assay is sensitive enough to detect H520Q and C603W mutants that constitute 10% of total DNA input.

Conclusion

Probe‐based HRMA is effective in detecting H520Q and C603W mutations in the UL97 gene of CMV.
K4‐free and ‐free Planar Matching Covered Graphs
Authors: Kothari Nishad , Murty U. S. R.
Published: May 2015

A bi‐subdivision of a graph J is a graph H obtained from J by subdividing each of its edges by inserting an even number of vertices. A matching covered subgraph H of a matching covered graph G is conformal if has a perfect matching. Using the theory of ear decompositions, Lovász (Combinatorica, 3 (1983), 105–117) showed that every nonbipartite matching covered graph has a conformal subgraph which is either a bi‐subdivision of K4 or of . (The graph is the triangular prism.) A matching covered graph is K4‐based if it contains a bi‐subdivision of K4 as a conformal subgraph; otherwise it is K4‐free. ‐based and ‐free
graphs are analogously defined. The result of Lovász quoted above implies that any nonbipartite matching covered graph is either K4‐based or ‐based (or both). The problem of deciding which matching covered graphs are K4‐based and which are ‐based is, in general, unsolved. In this paper, we present a solution to this classification problem in the special case of planar graphs. In Section 2, we show that a matching covered graph is K4‐free (‐free) if and only if each of its bricks is K4‐free (‐free). In Section 5, we show that a planar brick is K4‐free if and only if it has precisely two odd faces. In Section 6, we determine the list of all ‐free planar bricks; apart from one exception, it consists of two infinite families of bricks. The principal tool we use for proving our results is the brick generation procedure established by Norine and Thomas (J Combin Theory Ser B, 97 (2007), 769–817).
Blame Game and Rotten Apples in Private Investigation Reports: The Case of Hadeland and Ringerike Broadband in Norway
Authors: Gottschalk Petter
Published: May 2015

Blame game is a term often used to describe a phenomenon that happens in groups of people when something goes wrong. The blame game hypothesis postulates that private investigators may be misled in their search for suspects and that suspected individuals do not necessarily become subject to a fair investigation by financial crime specialists and fraud examiners. The rotten apple hypothesis postulates that it is comforting to assume that one bad apple within an organisation is essentially responsible for the crime that is all too prevalent. The rotten apple view of white‐collar crime is a comfortable perspective to apply to business and public organisations as it allows them to look no further than suspect a single individual. Based on a case study of the Norwegian company Hadeland and Ringerike Broadband, this paper discusses blame game and rotten apple issues in an internal investigation report written by an external financial crime specialist. The study finds support for both hypotheses, as blame is mainly isolated to the criminal and his superior, and both board and top management are protected from scrutiny. Copyright © 2015 John Wiley & Sons, Ltd.
Fluorescence in robotic surgery
Authors: Daskalaki Despoina , Aguilera Fabiola , Patton Kristin , Giulianotti Pier Cristoforo
Published: May 2015

Currently, there are several clinical applications for intraoperative ICG, such as identification of vascular and biliary anatomy, assessment of organ and tissue perfusion, lymph node mapping, and real‐time identification of lesions. In this paper we present a review of the available literature related to the use of ICG fluorescence in robotic surgery in order to provide a better understanding of the current applications, show the rapid growth of this technique, and demonstrate the potential future applications. J. Surg. Oncol. 2015; 112:250–256. © 2015 Wiley Periodicals, Inc.
Description of robotic single site cholecystectomy and a review of outcomes
Authors: Escobar‐Dominguez Jose E. , Hernandez‐Murcia Christian , Gonzalez Anthony M.
Published: May 2015

New technologies have been developed to make laparoscopic cholecystectomy less invasive through single incision laparoscopic surgery (SILS), however this approach has its own limitations. Single incision robotic surgery (SIRC) is designed to overcome them. The concerns that limit adoption of this technology are attributed increases in costs, prolonged learning curves and surgical times. Here, we provide a literature review as well as our own experience with SIRC, with the intent to clarify these important concerns. J. Surg. Oncol. 2015; 112:284–288. © 2015 Wiley Periodicals, Inc.
Effect of pH and oxygen on biofilm formation in acute otitis media associated NTHi clinical isolates
Authors: Osgood Robert , Salamone Frank , Diaz Alexis , Casey Janet R. , Bajorski Peter , Pichichero Michael E.
Published: May 2015

Objectives/Hypothesis

Biofilms occur in animal models of acute otitis media (AOM) and in children with recurrent AOM (rAOM) and chronic otitis media with effusion (OME). We therefore studied the ability of nontypeable Haemophilus influenzae (NTHi) strains from children to form biofilms in vitro under conditions we presumed occurred in the middle ear during AOM, rAOM, and OME.

Study Design

Evaluate NTHi isolates for biofilm formation across a pH range under aerobic, microaerophilic, and anaerobic conditions.

Methods

Using a crystal violet biofilm assay we studied 12 NTHi pediatric clinical isolates to investigate biofilm formation over a pH range of 4.5 to 10 under aerobic, microaerophilic, and anaerobic conditions.

Results

Our findings included: 1) not all clinical NTHi strains form biofilms (75% did); 2) the pH of middle ear fluid collected from AOM (n = 170; age range, 4–36 months), rAOM (n = 54; age range, 7–36 months), and OME (n = 30; age range, 9–60 months) subjects tested immediately after withdrawal was similar (mean = 8.0;range 7.0–9.0); 3) biofilms formed optimally at pH 8.0, a finding that is consistent with previous studies by other investigators; 4) biofilms did not form under aerobic conditions as likely occurs in AOM, whereas under microaerophilic and anaerobic conditions biofilm formation was observed as likely occurs during rAOM and OME.

Conclusions

We concluded that biofilm formation by NTHi does not occur in all strains, occurs best where the pH = 8.0 and in anaerobic conditions as likely occurs in children during rAOM and OME. However, biofilm formation is limited or absent under aerobic conditions as likely occurs during AOM.

Level of Evidence

NA Laryngoscope, 125:2204–2208, 2015
Endoscopic transmucosal direct puncture sclerotherapy for management of airway vascular malformations
Authors: Oomen Karin P. Q. , Paramasivam Srinivasan , Waner Milton , Niimi Yasunari , Fifi Johanna T. , Berenstein Alejandro , O Teresa M.
Published: May 2015

Objectives/Hypothesis

To describe a multidisciplinary approach to the treatment of airway vascular malformations (venous or lymphatic) with direct suspension rigid laryngoscopy and direct puncture transmucosal bleomycin sclerotherapy injected under road‐mapping fluoroscopic monitoring, supplemented by Dyna‐computed tomography utilization.

Study Design

Case series.

Methods

We performed a retrospective medical record and imaging review of four patients with venous malformations or lymphatic malformations located in the airway. Patients were treated with a combination of direct suspension laryngoscopy or rigid nasopharyngoscopy and image‐guided direct puncture bleomycin sclerotherapy.

Results

Two patients presented to our institution with extensive lymphatic malformation of the neck, parapharyngeal, and retropharyngeal spaces, and two presented with venous malformation of the nasopharynx and oropharynx. All patients were treated with multiple sclerotherapy and debulking procedures before undergoing combined direct transmucosal puncture bleomycin sclerotherapy guided by direct laryngoscopy or nasopharyngoscopy. All patients had complete resolution of disease while maintaining a safe airway.

Conclusions

A multidisciplinary approach to airway vascular malformations with a combination of endoscopy and direct puncture bleomycin sclerotherapy was demonstrated to be a safe and effective treatment in our patient cohort. Direct laryngoscopy and nasopharyngoscopy provide easy access to the nasopharynx, oropharynx, retro‐ and/or parapharyngeal spaces and larynx. Unlike traditional agents, bleomycin induces minimal edema and therefore is an ideal substance to treat airway lesions.

Level of Evidence

4. Laryngoscope, 126:205–211, 2016
The influence of a novel in‐office tooth whitening procedure using an Er,Cr:YSGG laser on enamel surface morphology
Authors: Dionysopoulos Dimitrios , Strakas Dimitrios , Koliniotou‐Koumpia Eugenia
Published: May 2015

Background and Objective

The purpose of this in vitro study was to evaluate the influence of a novel in‐office tooth whitening procedure using Er,Cr:YSGG laser radiation on bovine enamel.

Study Design/Materials and Methods

Forty‐eight enamel specimens were prepared from bovine canines and divided into four groups: Group 1 specimens (control) received no whitening treatment; Group 2 received whitening treatment with an at‐home whitening agent (22% carbamide peroxide) for 7 days; Group 3 received whitening treatment with a novel in‐office whitening agent (35% H2O2); Group 4 received the same in‐office whitening therapy with Group 3 using Er,Cr:YSGG laser in order to accelerate the whitening procedure. The specimens were stored for 10 days after the whitening treatment in artificial saliva. Vickers hardness was determined using a microhardness tester and surface roughness was evaluated using a VSI microscope. Three specimens of each experimental group were examined under SEM and the mineral composition of the specimens was evaluated using EDS. Data were statistically analyzed using one‐way ANOVA, Tukey's post‐hoc test, Wilcoxon signed rank and Kruskal‐Wallis tests (a = 0.05).

Results

The surface microhardness of the enamel was reduced after the in‐office whitening treatments (P< 0.05), but not influenced after the at‐home whitening treatment (P> 0.05). Moreover, the surface roughness was not significantly changed after tooth whitening. EDS analysis did not show alterations in the enamel mineral composition, while SEM observations indicated changes in the surface morphology, especially after in‐office tooth whitening (P< 0.05).

Conclusions

The laser‐assisted whitening treatment with Er,Cr:YSGG laser did not affect the alterations in enamel surface compared with the conventional in‐office whitening technique. Lasers Surg. Med. 47:503–511, 2015. © 2015 Wiley Periodicals, Inc.
Soil‐induced corrosion of ancient Roman brass – A case study
Authors: Papadopoulou O. , Vassiliou P. , Grassini S. , Angelini E. , Gouda V.
Published: May 2015

This work focuses on the study of the solid state processes on naturally corroded ancient brass artefact. The object, recovered from burial in the Tiber riverbed in Italy, has been characterised from a morphological, chemical and microstructural point of view. The artefact probably originates from a Roman brass coin or medal and the alloy substrate was identified as a leaded brass (85% copper, 12.8% zinc and 2.2% lead). A combination of XRF, SEM coupled with EDS spot analyses and elemental mapping, Raman spectroscopy and OM observations were employed in order to describe the corrosion processes that created the heterogeneous, multi‐layer corrosion product stratification. The identification of copper sulphide layers and the precipitation of some, rarely reported, basic copper and zinc phosphates are among the most important findings of this work. Two phases of anaerobic and aerobic corrosion emerged from the analyses. The object has undergone dezincification at early stages and decuprification later on. However, the most crucial action was the environmental elements activity, which determined the corrosion rate and the nature of the corrosion product layers. The results are critically discussed and correlated with the environmental conditions of the burial context. The study is supported by an extensive literature review.
On extensions of supercompactness
Authors: Lubarsky Robert S. , Perlmutter Norman Lewis
Published: May 2015

We show that, in terms of both implication and consistency strength, an extendible with a larger strong cardinal is stronger than an enhanced supercompact, which is itself stronger than a hypercompact, which is itself weaker than an extendible. All of these are easily seen to be stronger than a supercompact. We also study Cn‐supercompactness.
Physicochemical Profiles of the Marketed Agrochemicals and Clues for Agrochemical Lead Discovery and Screening Library Development
Authors: Rao Hanbing , Huangfu Changxin , Wang Yanying , Wang Xianxiang , Tang Tiansheng , Zeng Xianyin , Li Zerong , Chen Yuzong
Published: May 2015

Combinatorial chemistry, high‐throughput and virtual screening technologies have been extensively used for discovering agrochemical leads from chemical libraries. The knowledge of the physicochemical properties of the marketed agrochemicals is useful for guiding the design and selection of such libraries. Since the earlier profiling of marketed agrochemicals, the number and types of marketed agrochemicals have significantly increased. Recent studies have shown the change of some physicochemical properties of oral drugs with time. There is a need to also profile the physicochemical properties of the marketed agrochemicals. In this work, we analyzed the key physicochemical properties of 1751 marketed agrochemicals in comparison with the previously‐analyzed herbicides and insecticides, 106 391 natural products and 57 548 diverse synthetic libraries compounds. Our study revealed the distribution profiles and evolution trend of different types of agrochemicals that in many respects are broadly similar to the reported profiles for oral drugs, with the most marked difference being that agrochemicals have a lower number of hydrogen bond donors. The derived distribution patterns provided the rule of thumb guidelines for selecting potential agrochemical leads and also provided clues for further improving the libraries for agrochemical lead discovery.
Using semidiscrete decomposition and vector space models to identify users of social networks
Authors: Gosnell Denise K. , Berry Michael W.
Published: May 2015

Users of social media interact with the network and its users. Each interaction creates network‐specific data between the engaged users and the chosen social avenue. Over time, these engagements accumulate to describe the user's social fingerprint, a data trail that encapsulates the user's identity on the network. The agglomeration of this information showcases the user's activity on the social network and establishes a traceable social fingerprint. The focus of this study is to examine the accuracy of user identification via semidiscrete decomposition of social network adjacency matrices. The use of semidiscrete decomposition in this application creates separability amongst observed data trails as a means to establish uniqueness amongst the users of the social network. The results presented herein illustrate to what extent a user's social fingerprint can be both quantified and identified on a social network through time. Copyright © 2015 John Wiley & Sons, Ltd.
Finite element approximation of a phase field model arising in nanostructure patterning
Authors: Nürnberg Robert , Tucker Edward J. W.
Published: May 2015

We consider a fully practical finite element approximation of the nonlinear parabolic Cahn–Hilliard system

urn:x-wiley:0749159X:media:num21972:num21972-math-0001

urn:x-wiley:0749159X:media:num21972:num21972-math-0002
subject to an initial condition on the conserved order parameter , and mixed boundary conditions. Here, is the interfacial parameter, is the field strength parameter, is the obstacle potential, is the diffusion coefficient, and denotes differentiation with respect to the second argument. Furthermore, w is the chemical potential and is the electrostatic potential. The system, in the context of nanostructure patterning, has been proposed to model the manipulation of morphologies in organic solar cells with the help of an applied electric field. In the limit , it reduces to a sharp interface problem that models the evolution of an unstable interface between two dielectric media in the presence of a quasistatic electric field. On introducing a finite element approximation for the above Cahn–Hilliard system, we prove existence and stability of a discrete solution. Moreover, in the case of two space dimensions, we are able to prove convergence and hence existence of a solution to the considered system of partial differential equations. We demonstrate the practicality of our finite element approximation with several numerical simulations in two and three space dimensions. © 2015 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 31: 1890–1924, 2015
Diet Transition or Human Migration in the Chinese Neolithic? Dietary and Migration Evidence from the Stable Isotope Analysis of Humans and Animals from the Qinglongquan Site, China
Authors: Guo Y. , Fan Y. , Hu Y. , Zhu J. , Richards M. P.
Published: May 2015

The Qinglongquan site, China, includes materials from the Neolithic Qujialing (3000–2600 bc) and Shijiahe (2600–2200 bc) periods, and lies within the Sui‐Zao Corridor that connects the Nanyang Basin in the north and the Hanjiang River Plain in the south. Previous research suggested a dietary shift from rice‐based to millet‐based agriculture between the Qujialing and Shijiehe periods at this site. The reason for this dietary shift is still unclear, and it is possible because of immigration into the region by people who already had a mainly C4‐millet‐based diet (i.e. from Northern China). In this study, we examine the carbon (δ13C) and nitrogen (δ15N) results and present sulfur (δ34S) isotope analyses of human (n = 27) and animal (n = 36) samples to test the hypothesis of whether this dietary shift was due to migration. The δ34S values of the Qujialing humans ranged from 5.5‰ to 8.1‰ [average 6.5‰ ± 1.0 (n = 7)], and the δ34S values of the Shijiahe humans ranged from 4.1‰ to 7.4‰ [average 5.8‰ ± 0.9 (n = 18)]. Because these values overlapped and were similar to the animal δ34S results [4.3‰ to 8.8‰, average of 6.6 ± 1.3‰ (n = 31)], no evidence of migration was found for the humans with the different diets at the Qinglongquan site. Copyright © 2015 John Wiley & Sons, Ltd.
A national survey of public views about the classification of obesity as a disease
Authors: Puhl Rebecca M. , Liu Sai
Published: May 2015

Objective

In 2013, the American Medical Association classified obesity as a disease. This study assessed public opinions about this disease classification.

Methods

In January 2014, a national sample of 1118 adults completed surveys assessing their agreement with 33 statements in support of and against the disease classification of obesity, as well as measures assessing sociodemographic characteristics.

Results

The majority of participants (51‐61.7%) agreed with 11 of 17 statements in support of the disease classification of obesity (average agreement across all statements = 51%), including views that it will help people gain access to obesity treatment. A minority of participants (31‐47.3%) agreed with 15 of 16 statements against the disease classification (average agreement across statements = 39.5%), including views that it will increase overreliance on medications or surgery to treat obesity (47.3%). Participants' attitudes were unaffected by sex, income, education, or health status but were related to causal beliefs about obesity. The disease classification received more support from African Americans and more opposition by individuals with higher weight stigma.

Conclusions

This study found more public agreement supporting the disease classification of obesity than opposing it. Further work should identify whether this classification affects health behaviors among individuals with obesity or societal weight stigmatization.
Low glass transition temperature poly(ionic liquid) prepared from a new quaternary ammonium cationic monomer
Authors: He Hongkun , Chung Heesung , Roth Elliot , Luebke David , Hopkinson David , Nulwala Hunaid , Matyjaszewski Krzysztof
Published: May 2015

Well‐defined poly(ionic liquid)s (PILs) were synthesized by normal and activators regenerated by electron transfer atom transfer radical polymerization (ATRP) using a new ionic liquid monomer, N‐(4‐vinylbenzyl)‐tris[2‐(2‐methoxyethoxy)ethyl]ammonium bis(trifluoromethylsulfonyl)imide (VBTA+Tf2N−). ATRP was also used for the preparation of PIL block copolymers using di‐functional PIL macroinitiators. Differential scanning calorimetry measurement showed the polyVBTA+Tf2N− had a rather low glass transition temperature of −43°C. Copyright © 2015 John Wiley & Sons, Ltd.
Characterizations of damages of DNA caused by plasma treatment and reactive species formed thereby
Authors: Kwon Young‐Wan , Jin Jung‐Il
Published: May 2015

Plasma sources at atmospheric pressures have been studied to develop plasma treatment for a variety of biomedical applications. But in such systems, reactive oxygen nitrogen species (RONS) induce severe damage in cells. Here, we briefly introduce atmospheric pressure plasma sources, review recent progress in characterization tools, and present results for RONS in the interface, aqueous system, and cellular components obtained via optical emission spectroscopy, fluorescence indicators, and electron paramagnetic resonance spectroscopy. Gel electrophoresis, circular dichroism spectroscopy, and Raman spectroscopy are used to investigate the damage caused by RONS that reaches the central cellular components and severely modifies DNA. Copyright © 2015 John Wiley & Sons, Ltd.
Some features of luminescent properties of PbS suspensions, stabilized by high‐molecular polyvinylpyrrolidone
Authors: Bagrov I. V. , Belousova I. M. , Evstropiev S. K. , Kislyakov I. M.
Published: May 2015

The results of the investigations of optical and luminescent properties of PbS suspensions stabilized by high‐molecular polyvinylpyrrolidone are described. Suspensions prepared by liquid colloidal method from sodium sulfide and lead nitrate demonstrate strong luminescence in near infrared spectral range at the excitation by visual light with different wavelengths. It was proposed that Förster resonant energy transfer plays the important role in luminescence properties of closed packed PbS particles. The model, which describes the observed luminescent properties of the suspensions PbS‐stabilized high‐molecular polymer, is proposed. The combination of very wide spectral range of excitation of the luminescence with rather narrow range of light radiation in near infrared spectral range determine wide perspectives of the materials in solar luminescent concentrators and photodetectors. Copyright © 2015 John Wiley & Sons, Ltd.
Optimization of flame retardant content with respect to mechanical properties of natural fiber polymer composites: Case study of polypropylene/flax/aluminum trihydroxide
Authors: El‐Sabbagh A. , Steuernagel L. , Meiners D. , Ziegmann G. , Toepfer O.
Published: May 2015

Flammability behavior of natural fiber polymer composites (NFPC) is an essential factor to define their scope of application. It was of great importance to quantitatively optimize the quantities of the flame retardants (FR) with respect to the corresponding mechanical properties as well as the flame retardance behavior. Flax/polypropylene (PP) system was selected in this study due to its diverse applications. Aluminum trihydroxide (ATH) which was an inorganic hydrate was used as a FR and smoke suppresser because of its environmentally–friendly nature. Flax and PP in the presence of a coupling agent were extruded together. Flax loading with respect to the host polymer was studied at 30% and 50%. Afterward, the compounds were mixed with three grades of ATH namely Apyral 32, 40CD, and 60CD which were loaded at different amounts ranging from 30 to 60 wt%. The synergetic effect of zinc borate (ZB) and ammonium polyphosphate Exolit AP‐422 was also investigated. Both mechanical and flammability behavior were assessed with respect to ATH and its synergists. It was found that 40 wt% of Apyral 60CD was enough to reach V‐0 level with a marginal loss of tensile strength namely 12.5% and 7% for samples of 30% and 50% flax, respectively. Higher loading of ATH at 60% results in strength reduction by 37%–40%. Cone calorimetry results proved the reduction of both heat release rate (HRR) and smoke release. Synergism with both additives improved the UL94 rating and decreased the HRR as well. POLYM. COMPOS., 37:3310–3325, 2016. © 2015 Society of Plastics Engineers
An impact behavior analysis of CNT‐based fiber reinforced composites validated by LS‐DYNA: A review
Authors: Rawat Prashant , Singh Kalyan Kumar
Published: May 2015

In last 2 decades use of CNT based‐Fiber Reinforced Polymer (FRP) Composite have revolutionized the aerospace, automobile, marine industry as it have showed exceptional mechanical properties like impact resistant, high energy absorbing capacities, damping properties, etc. The goal of this review is to explore the validation of impact behavior in CNT based FRP composite by LS‐DYNA. Impact behavior depends upon various parameters like velocity of impact, shape of impactor and its weight, environmental conditions as temperature dependency, contact time and damage area and many other considerations. Prediction of impact damage is done using methods like absorbed energy, gross damage produced and/or micro energy dissipation. This article also presents study of variation in impact behavior by varying CNT percentage in composite laminates. POLYM. COMPOS., 38:175–184, 2017. © 2015 Society of Plastics Engineers
Surface Analysis and Ultra‐Shallow Molecular Depth‐Profiling of Polyethylene Treated by an Atmospheric Ar‐D2O Post‐Discharge
Authors: Cristaudo Vanina , Collette Stéphanie , Poleunis Claude , Reniers François , Delcorte Arnaud
Published: May 2015

In an original approach to trace water reactivity upon surface treatment by ambient “open air” plasma, the H–D exchange processes induced in polyethylene by an Ar‐D2O post‐discharge are investigated using time‐of‐flight secondary ion mass spectrometry, both at the surface and along the sample depth. The surface characterization points out the strong influence of the sample‐torch distance. The most important chemical modifications, excluding polymer overheating, occur at 5 mm of distance, with 25% of deuterated monomer units at the surface. For the first time, ultra‐shallow molecular depth‐profiling by Ar noble gas clusters shows the detailed variation of the deuteration of the polymer repeat unit in the topmost surface layer. Our results indicate that the fraction of deuterated monomer units is reduced by a factor >2 over a depth of ∼3 nm.
Structural insights into interactions between ubiquitin specific protease 5 and its polyubiquitin substrates by mass spectrometry and ion mobility spectrometry
Authors: Scott Daniel , Layfield Robert , Oldham Neil J.
Published: May 2015

Nanoelectrospray ionization‐mass spectrometry and ion mobility‐mass spectrometry have been used to study the interactions of the large, multidomain, and conformationally flexible deubiquitinating enzyme ubiquitin specific protease 5 (USP5) with mono‐ and poly‐ubiquitin (Ub) substrates. Employing a C335A active site mutant, mass spectrometry was able to detect the stable and cooperative binding of two mono‐Ub molecules at the Zinc‐finger ubiquitin binding protein (ZnF‐UBP) and catalytic site domains of USP5. Tetra‐ubiquitin, in contrast, bound to USP5 with a stoichiometry of 1 : 1, and formed additional interactions with USP5's two ubiquitin associated domains (UBAs). Charge‐state distribution and ion mobility analysis revealed that both mono‐ and tetra‐ubiquitin bound to the compact conformation of USP5 only, and that tetra‐ubiquitin binding was able to shift the conformational distribution of USP5 from a mixture of extended and compact forms to a completely compact conformation.
Conformational plasticity surrounding the active site of NADH oxidase from Thermus thermophilus
Authors: Miletti Teresa , Di Trani Justin , Jr. Levros Louis‐Charles , Mittermaier Anthony
Published: May 2015

Biotechnological applications of enzymes can involve the use of these molecules under nonphysiological conditions. Thus, it is of interest to understand how environmental variables affect protein structure and dynamics and how this ultimately modulates enzyme function. NADH oxidase (NOX) from Thermus thermophilus exemplifies how enzyme activity can be tuned by reaction conditions, such as temperature, cofactor substitution, and the addition of cosolutes. This enzyme catalyzes the oxidation of reduced NAD(P)H to NAD(P)+ with the concurrent reduction of O2 to H2O2, with relevance to biosensing applications. It is thermophilic, with an optimum temperature of approximately 65°C and sevenfold lower activity at 25°C. Moderate concentrations (≈1M) of urea and other chaotropes increase NOX activity by up to a factor of 2.5 at room temperature. Furthermore, it is a flavoprotein that accepts either FMN or the much larger FAD as cofactor. We have used nuclear magnetic resonance (NMR) titration and 15N spin relaxation experiments together with isothermal titration calorimetry to study how NOX structure and dynamics are affected by changes in temperature, the addition of urea and the substitution of the FMN cofactor with FAD. The majority of signals from NOX are quite insensitive to changes in temperature, cosolute addition, and cofactor substitution. However, a small cluster of residues surrounding the active site shows significant changes. These residues are implicated in coupling changes in the solution conditions of the enzyme to changes in catalytic activity.
Conformational landscape and pathway of disulfide bond reduction of human alpha defensin
Authors: Snijder Joost , van de Waterbeemd Michiel , Glover Matthew S. , Shi Liuqing , Clemmer David E. , Heck Albert J. R.
Published: May 2015

Human alpha defensins are a class of antimicrobial peptides with additional antiviral activity. Such antimicrobial peptides constitute a major part of mammalian innate immunity. Alpha defensins contain six cysteines, which form three well defined disulfide bridges under oxidizing conditions. Residues C3‐C31, C5‐C20, and C10‐C30 form disulfide pairs in the native structure of the peptide. The major tissue in which HD5 is expressed is the crypt of the small intestine, an anaerobic niche that should allow for substantial pools of both oxidized and (partly) reduced HD5. We used ion mobility coupled to mass spectrometry to track the structural changes in HD5 upon disulfide bond reduction. We found evidence of stepwise unfolding of HD5 with sequential reduction of the three disulfide bonds. Alkylation of free cysteines followed by tandem mass spectrometry of the corresponding partially reduced states revealed a dominant pathway of reductive unfolding. The majority of HD5 unfolds by initial reduction of C5‐C20, followed by C10‐C30 and C3‐C31. We find additional evidence for a minor pathway that starts with reduction of C3‐C31, followed by C5‐C20 and C10‐C30. Our results provide insight into the pathway and conformational landscape of disulfide bond reduction in HD5.
Kinesin, 30 years later: Recent insights from structural studies
Authors: Wang Weiyi , Cao Luyan , Wang Chunguang , Gigant Benoît , Knossow Marcel
Published: May 2015

Motile kinesins are motor proteins that move unidirectionally along microtubules as they hydrolyze ATP. They share a conserved motor domain (head) which harbors both the ATP‐ and microtubule‐binding activities. The kinesin that has been studied most moves toward the microtubule (+)‐end by alternately advancing its two heads along a single protofilament. This kinesin is the subject of this review. Its movement is associated to alternate conformations of a peptide, the neck linker, at the C‐terminal end of the motor domain. Recent progress in the understanding of its structural mechanism has been made possible by high‐resolution studies, by cryo electron microscopy and X‐ray crystallography, of complexes of the motor domain with its track protein, tubulin. These studies clarified the structural changes that occur as ATP binds to a nucleotide‐free microtubule‐bound kinesin, initiating each mechanical step. As ATP binds to a head, it triggers orientation changes in three rigid motor subdomains, leading the neck linker to dock onto the motor core, which directs the other head toward the microtubule (+)‐end. The relationship between neck linker docking and the orientations of the motor subdomains also accounts for kinesin's processivity, which is remarkable as this motor protein only falls off from a microtubule after taking about a hundred steps. As tools are now available to determine high‐resolution structures of motor domains complexed to their track protein, it should become possible to extend these studies to other kinesins and relate their sequence variations to their diverse properties.