bluuebunny/crossref_metadata_2025 huggingface dataset:
Finite Element Methods
Authors: Brenner Susanne C. , Carstensen Carsten
Published: September 2017

This introductory chapter on the mathematical theory of finite element methods (FEMs) discusses itsh‐version for elliptic boundary value problems in the displacement formulation. Topics addressed range froma prioritoa posteriorierror estimates and also include weak forms of elliptic partial differential equations, Galerkin schemes, finite element spaces, and adaptive local mesh refinement. Nonconformities and variational crimes, as well as algorithmic aspects, conclude the chapter.
Delivering decision making support to people with cognitive disability — What has been learned from pilot programs in Australia from 2010 to 2015
Authors: Bigby Christine , Douglas Jacinta , Carney Terry , Then Shih‐Ning , Wiesel Ilan , Smith Elizabeth
Published: September 2017

The UNCRPD has generated debate about supported decision making as a way to better enable people with cognitive disability to participate in decision making. In Australia, between 2010–2015, a series of projects have piloted various models of delivering decision making support. A critical review was conducted on the program documents and evaluations of these pilot projects. The pilots were small scale, conducted by both statutory and non‐statutory bodies, and adopted similar designs centred on supporting a decision maker/supporter dyad. Primarily, participants were people with mild intellectual disability. Themes included: positive outcomes; uncertain boundaries of decision support; difficulty securing supporters; positive value of program staff and support to supporters; limited experience and low expectations; and varying value of written resources. The lack of depth and rigour of evaluations mean firm conclusions cannot be reached about program logics, costs or outcomes of the pilots. The pilots demonstrate feasibility of providing support for decision making rather than resolving issues involved in delivering support. They suggest that some form of authority may facilitate the role of decision supporters, help to engage others in a person's life, and integrate decision making support across all life domains.
Enantioselektive Totalsynthese von 3β‐Hydroxy‐7β‐kemp‐8(9)‐en‐6‐on, ein aus höheren Termiten isoliertes Diterpen
Authors: Wang Yuzhou , Jäger Anne , Gruner Margit , Lübken Tilo , Metz Peter
Published: September 2017

Die erste Totalsynthese des Titelditerpens wurde ausgehend vom Wieland‐Miescher‐Keton erreicht. Eine diastereoselektive Sulfa‐Michael‐Addition ermöglichte die Erzeugung der empfindlichen β,γ‐ungesättigten Ketoneinheit, während das tetracyclische Kempan‐Gerüst problemlos durch Dominometathese aufgebaut wurde.
Coordination compounds of some transition metal ions with new Schiff base ligand derived from dibenzoyl methane. Structural characterization, thermal behavior, molecular structure, antimicrobial, anticancer activity and molecular docking studies
Authors: Mahmoud Walaa H. , Mohamed Gehad G. , El‐Sayed Omnia Y.
Published: September 2017

Series of Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) complexes were prepared with tetradentate Schiff base ligand derived by condensation of 2‐aminophenol with dibenzoylmethane. The novel Schiff base H2L (2–2′‐((1Z,1Z’)‐(1,3‐diphenyl propane‐1,3 diylidene) bis (azanylylidene) diphenol) and its binary metal complexes were characterized by physicochemical procedures i.e. elemental analysis, FT‐IR, UV–Vis, thermal analyses (TGA/DTG), mass spectrometry, magnetic susceptibility and conductometric measurements. On the basis of these studies, an octahedral geometry for all these complexes was proposed expect Ni(II) complex which had tetrahedral geometry. Molar conductivity values revealed that the complexes were electrolytes except Mn(II), Zn(II) and Cd(II) complexes were non electrolytes. The ligand bound to the metal ions via two azomethine N and two phenolic OH as indicated from the IR and 1H NMR spectral study. The molecular and electronic structures of H2L and its zinc complex were optimized theoretically and the quantum chemical parameters were calculated. The antimicrobial activity against a number of bacterial organisms as Streptococcus pneumonia, Bacillus Subtilis, Pseudomonas aeruginosa and Escherichia coli and fungi as Aspergillus fumigates, Syncephalastrum racemosum, Geotricum candidum and Candida albicans by disk diffusion method were screened for the Schiff base and its complexes. The Cd(II) complex has potent antimicrobial activity. Anticancer activity of the Schiff base ligand and its metal complexes were evaluated in human cancer (MCF‐7 cells viability). The Cr(III) complex exhibited higher activity than other complexes and ligand. Molecular docking was used to predict the binding between Schiff base ligand (H2L) and its Zn(II) complex and the receptors of RNA of amikacin antibiotic (4P20) and human‐DNA‐Topo I complex (1SC7). The docking study provided useful structural information for inhibition studies.
A new air and moisture stable robust bio‐polymer based palladium catalyst for highly efficient synthesis of biaryl compounds
Authors: Baran Talat , Yılmaz Baran Nuray , Menteş Ayfer
Published: September 2017

The designs of robust natural polymer based catalysts are important for catalytic systems in the view of industrial purposes and green chemistry. In this study, a new air and moisture stable robust starch‐based Pd(II) catalyst was designed and characterized with different analytical techniques. Catalytic behavior of the prepared robust palladium(II) catalyst was investigated in the Suzuki coupling reactions of aryl iodides, aryl bromides and aryl chlorides with phenyl boronic acid under microwave irradiation using very short reaction time. Sustainability and reusability of the catalyst was also explored under benign conditions. As a result of the catalytic tests, the green catalyst gave excellent biphenyl yields, TONs and TOFs with very low catalyst loading. More importantly, the robust catalyst has showed that it can be reused several times without important loses from its activity in the coupling reactions. The study showed that the robust starch‐based Pd(II) catalyst had more advantages than other catalysts reported in the literature due to its economic, sustainable, thermal durable, environmentally friendly and practice properties.
Modification of tung oil–based polyurethane foam by anhydrides and inorganic content through esterification process
Authors: Shirke Amit G. , Dholakiya Bharatkumar Z. , Kuperkar Ketan
Published: September 2017

In this study, we have reported the synthesis of modified polyol from tung oil. The synthesis involves three steps: first, conversion of tung oil to hydroxylated tung oil by hydroxylation; second, alcoholysis with triethanolamine; and finally, the esterification of polyester polyol when reacted with phthalic anhydride (PA) or maleic anhydride (MA). Boric acid is also introduced into the polyol by chemical modification, which enhances the thermal properties of polyurethane foam (PUF). PUF is formulated by the reaction between polyol and isocyanate. A systematic comparison of flame retardancy and mechanical and thermal properties of modified PUF has been examined. The structural properties of modified polyol were characterized by Fourier transform infrared spectroscopy, proton NMR spectroscopy, and gel permeation chromatography, while the thermal and mechanical properties of the formulated PUF were studied by scanning electron microscopy, limiting oxygen index, differential scanning calorimetry, Izod impact, and flexural and compression strength. Thus PUF prepared from modified polyol with a proper distribution of soft and hard segments possesses better mechanical and thermal properties. The PA‐modified foams show better properties compared to unmodified and MA‐modified foams due to the aromaticity and crosslinking behavior of PA. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45786.
SUDMAD: Sequential and unsupervised decomposition of a multi‐author document based on a hidden markov model
Authors: Aldebei Khaled , He Xiangjian , Jia Wenjing , Yeh Weichang
Published: September 2017

Decomposing a document written by more than one author into sentences based on authorship is of great significance due to the increasing demand for plagiarism detection, forensic analysis, civil law (i.e., disputed copyright issues), and intelligence issues that involve disputed anonymous documents. Among existing studies for document decomposition, some were limited by specific languages, according to topics or restricted to a document of two authors, and their accuracies have big room for improvement. In this paper, we consider the contextual correlation hidden among sentences and propose an algorithm for Sequential and Unsupervised Decomposition of a Multi‐Author Document (SUDMAD) written in any language, disregarding topics, through the construction of a Hidden Markov Model (HMM) reflecting the authors' writing styles. To build and learn such a model, an unsupervised, statistical approach is first proposed to estimate the initial values of HMM parameters of a preliminary model, which does not require the availability of any information of author's or document's context other than how many authors contributed to writing the document. To further boost the performance of this approach, a boosted HMM learning procedure is proposed next, where the initial classification results are used to create labeled training data to learn a more accurate HMM. Moreover, the contextual relationship among sentences is further utilized to refine the classification results. Our proposed approach is empirically evaluated on three benchmark datasets that are widely used for authorship analysis of documents. Comparisons with recent state‐of‐the‐art approaches are also presented to demonstrate the significance of our new ideas and the superior performance of our approach.
A MCMC approach for modeling customer lifetime behavior using the COM‐Poisson distribution
Authors: Mzoughia Mohamed Ben , Borle Sharad , Limam Mohamed
Published: September 2017

One of the major challenges associated with the measurement of customer lifetime value is selecting an appropriate model for predicting customer future transactions. Among such models, the Pareto/negative binomial distribution (Pareto/NBD) is the most prevalent in noncontractual relationships characterized by latent customer defections; ie, defections are not observed by the firm when they happen. However, this model and its applications have some shortcomings. Firstly, a methodological shortcoming is that the Pareto/NBD, like all lifetime transaction models based on statistical distributions, assumes that the number of transactions by a customer follows a Poisson distribution. However, many applications have an empirical distribution that does not fit a Poisson model. Secondly, a computational concern is that the implementation of Pareto/NBD model presents some estimation challenges specifically related to the numerous evaluation of the Gaussian hypergeometric function. Finally, the model provides 4 parameters as output, which is insufficient to link the individual purchasing behavior to socio‐demographic information and to predict the behavior of new customers. In this paper, we model a customer's lifetime transactions using the Conway‐Maxwell‐Poisson distribution, which is a generalization of the Poisson distribution, offering more flexibility and a better fit to real‐world discrete data. To estimate parameters, we propose a Markov chain Monte Carlo algorithm, which is easy to implement. Use of this Bayesian paradigm provides individual customer estimates, which help link purchase behavior to socio‐demographic characteristics and an opportunity to target individual customers.
HOXA9 is critical in the proliferation, differentiation, and malignancy of leukaemia cells both in vitro and in vivo
Authors: Chen Shibing , Yu Juan , Lv Xin , Zhang Lijuan
Published: September 2017

Progress in the understanding of the molecular mechanism for acute myeloid leukaemia is of great significance to generate new potential targets for treatment. Recent studies showed that HOXA9, a homeodomain‐containing transcription factor, is commonly deregulated in acute leukaemia. In this study, we elucidated the direct correlation between HoxA9 expression and progression of leukaemia using 2 different types of leukaemia cells HL‐60 and MOLT‐3. The HoxA9 expression level was decreased in leukaemia cells with the treatment of all‐trans retinoic acid or arsenic trioxide (As2O3). Downregulation of HoxA9 could impair the proliferation and promote the leukaemia cell death. HoxA9 silencing also potentiated the differentiation of leukaemia cells, and in vivo studies demonstrated that HoxA9 downregulation could interfere the tumour growth. Interestingly, HoxA9 silencing also led to the alteration in miRNA expression, mediating the promoting effect on the leukaemia cell differentiation. Therefore, this work provided a promising and potentially efficient target to leukaemia treatment, indicating that HoxA9 is likely to be an ideal candidate in the gene therapy against acute myeloid leukaemia. In this study, we elucidated the critical role of HoxA9 in the proliferation and differentiation of leukaemia cells both in vitro and in vivo. The effect of HoxA9 modulation was correlated with the clinical effect of all‐trans retinoic acid and As2O3. Furthermore, HoxA9 also regulated the miRNA expression, controlling the leukaemia cell differentiation. Therefore, this work provided new insights into molecular mechanism underlying the leukaemia treatment, potentially putting forward a brand new target to the gene therapy against leukaemia.
Immigration policy: Separating children from parents unnecessary and costly trauma
Authors: Knopf Alison
Published: September 2017

Child advocates in pediatrics and child psychiatry are concerned about the trauma occurring to children when families are separated by immigration policies. Writing in a Perspective article in The New England Journal of Medicine this spring, they discussed the plan of John F. Kelly, then‐secretary of the Department of Homeland Security (DHS) (and now White House chief of staff) to separate undocumented children from their parents. This would take place at U.S. border crossings. That plan appears to be on hold, but there is still a black cloud of anxiety hanging over these families.
Editorial changes are happening
Authors: Fritz Gregory K.
Published: September 2017

After 17 years as editor of the Brown University Child and Adolescent Behavior Letter, it's time for me to pass the torch. At the time you're reading this last commentary, I'll have been retired for several weeks from my positions as director of child and adolescent psychiatry at the Brown University Medical School and academic director at Bradley Hospital. I finished my child psychiatry training at Stanford exactly 40 years ago, which has given me plenty of time to see many changes in the world of child mental health. Preparing for retirement, it's inevitable that one reflects on what's taken place over a long career, and I thought I'd share some of my musings with CABL readers in this, my last commentary.
Boron and Boron‐Containing Catalysts for the Oxidative Dehydrogenation of Propane
Authors: Grant Joseph T. , McDermott William P. , Venegas Juan M. , Burt Samuel P. , Micka Jack , Phivilay Somphonh P. , Carrero Carlos A. , Hermans Ive
Published: September 2017

The front cover artwork for Issue 19/2017 is provided by the Hermans Laboratory at UW‐Madison (USA). The image shows the Swedish Chef who, being offered the scientific freedom to explore new recipes, discovered that boron is the most efficient catalyst for the oxidative upgrading of natural gas‐derived alkanes to highly‐desired olefins. It is a good reminder to the scientific community that despite decades of systematic research on ODH, serendipitous breakthroughs are still possible and can lead to new insights and applications. See the Communication itself at https://doi.org/10.1002/cctc.201701140.
A Highly Efficient Electrocatalyst Derived from Polyaniline@CNTs−SPS for the Oxygen Reduction Reaction
Authors: Xu Jingjing , Lu Shiyao , Zhou Han , Chen Xu , Wang Yuankun , Xiao Chunhui , Ding Shujiang
Published: September 2017

It is of vital importance to develop novel, low‐cost, and high‐efficiency electrocatalysts for the oxygen reduction reaction (ORR), which have a considerable impact on electrochemical energy conversion and storage devices, such as fuel cells and metal−air batteries. In this work, we demonstrate highly active nitrogen‐doped carbons with uniform hierarchical structures through sulfonated polystyrene (SPS), regulating the distribution of the PANI covering on carbon nanotubes (CNTs), prepared by using a reliable and controllable route. The as‐prepared electrocatalyst shows outstanding activity towards the ORR in alkaline media, manifesting comparable or even better performance compared to commercial Pt/C. The optimized nitrogen‐doped CNTs exhibit an onset potential (Eonset) of 0.94 V (vs. reversible hydrogen electrode (RHE)) and half‐wave potential (E1/2) of 0.83 V (vs. RHE) in 0.1 M KOH with superior stability, durability, and methanol tolerance, suggesting their promising applications in fuel cells and metal−air batteries. The significantly improved electrochemical properties demonstrate that the unique SPS layer anchoring on the surface of CNTs in the as‐designed PANI@CNTs‐SPS contributes to a uniform distribution of nitrogen sites throughout the catalyst.
Generation of Multicomponent Molecular Cages using Simultaneous Dynamic Covalent Reactions
Authors: Drożdż Wojciech , Bouillon Camille , Kotras Clément , Richeter Sébastien , Barboiu Mihail , Clément Sébastien , Stefankiewicz Artur R. , Ulrich Sébastien
Published: September 2017

Cage compounds are very attractive structures for a wide range of applications and there is ongoing interest in finding effective ways to access such kinds of complex structures, particularly those possessing dynamic adaptive features. Here we report the accessible synthesis of new type of organic cage architectures, possessing two different dynamic bonds within one structure: hydrazones and disulfides. Implementation of three distinct functional groups (thiols, aldehydes and hydrazides) in the structure of two simple building blocks resulted in their spontaneous and selective self‐assembly into aromatic cage‐type architectures. These organic cages contain up to ten components linked together by twelve reversible covalent bonds. The advantage provided by the presented approach is that these cage structures can adaptively self‐sort from a complex virtual mixture of polymers or macrocycles and that dynamic covalent chemistry enables their deliberate disassembly through controlled component exchange.
Inside Back Cover: Cu(II)‐Catalyzed Ligand‐Free Oxidation of Diarylmethanes and Second Alcohols in Water (Chin. J. Chem. 9/2017)
Authors: Wu Jianglong , Liu Yan , Ma Xiaowei , Liu Ping , Gu Chengzhi , Dai Bin
Published: September 2017

The inside back cover picture shows a simple and efficient Cu(II)‐catalyzed ligand‐free oxidation of diarylmethanes and secondary alcohols using 70% TBHP in water. A series of diarylmethanes were directly oxidized into diaryl ketones in 67%–98% yields. Additionally, various secondary alcohols were also transformed into the desired products in 48%–98% yields. Importantly, the catalytic system in the absence of any organic solvent, surfactant, or phase transfer agent, had a wide substrate scope and a high tolerance for various functional groups. More details are discussed in the article by Liu et al. on page 1391–1395.

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A statistical approach to virtual server resource management
Authors: Kontoudis Dimitris , Fouliras Panayotis
Published: September 2017

Resource management is of key importance in a wide array of computer and network environments. Failure to effectively allocate resources necessary for smooth infrastructure operation may result in impediments in successful service provisioning. This is especially prominent in environments whose workloads present fluctuating resource demand, such as in Cloud‐based infrastructures. The mathematical science of statistics offers an extensive theoretical and practical toolbox that can be of potential use in tackling such problems in the information technology domain. We propose a novel approach to resource management of virtualized data center components. We have worked toward creating a mechanism that allows for dynamic resource allocation, adapting to the changing demand patterns. Our system incorporates a resource controller, based on Statistical Process Control, which permits the online management of a virtual machine's processor and memory capacity through real‐time analysis of its observed performance. We successfully demonstrate our approach, with real data, on an architecture running the core banking environment of a financial institution. The controller successfully manages the resource allocation of the virtual machine and stabilizes its performance while business workloads are being processed. Our approach can be extended to realize different workload models and to manage other types of hypervisor provisioned resources.
Prepare for impact of potential shifts in affirmative‐action landscape
Authors: Porter Michael
Published: September 2017

Beginning in early 2017, many higher education administrators experienced anxiety about how the Trump administration would address various issues at colleges and universities. The federal government's position on affirmative action seemed ripe for a policy shift.
Some campus carry laws don't make sense
Authors: Hodges Dawn Z.
Published: September 2017

I am a staunch believer in the Second Amendment, a member of the National Rifle Association, and I have a carry permit, but I still think campus carry laws are poor public policy. In the United States, “campus carry” refers to the possession of firearms on college or university campuses. It seems legislators do not care what people who actually work on campuses think. As usual, they are more interested in the lobbyists who care only about the theory of carrying guns on campus, or perhaps, about getting re‐elected.
Give your career a boost with conference plans
Authors: Hope Joan
Published: September 2017

There's nothing like attending a conference to give you new strategies for addressing your tough issues. Plus, the contacts you'll make will help you do your job long after the closing plenary ends. Check our listing below to find an event that meets your needs, location, and budget.
Boost student completion as a student‐centered institution
Authors: Sutton Halley
Published: September 2017

“I like to say that I have the heart of an advisor and the brain of an academic,” said Lynn Mahoney, Ph.D., provost and vice president for academic affairs at California State University, Los Angeles. That mentality, born out of Mahoney's background as both a lecturer and academic advisor, has been at the forefront of Mahoney's work to improve time‐to‐degree and completion rates on campus. “[Throughout my career] I've been consumed with the inadvertent obstacles we place in students' way as they attempt to achieve their degrees,” Mahoney said. She shared strategies and changes the Cal State LA campus is making to improve completion rates.
Catalyst‐Free Sulfonylation of 2‐Methoxyphenols: Facile One‐Pot Synthesis of (Arylsulfonyl)catechols in Aqueous Media
Authors: Taneja Neha , Peddinti Rama Krishna
Published: September 2017

A new water‐assisted carbon–sulfur bond‐formation strategy is described for direct access to highly valuable (arylsulfonyl)catechols. This scalable transformation is remarkable, as a tandem dearomatization/sulfonylation and hydroxylation process enabled the title compounds to be formed in one pot under catalyst‐free conditions. Mechanistic studies revealed that water plays a key role in the synthesis of the catechols. The sulfonylation operates under very mild conditions, shows a broad substrate scope, gives high conversions, and can be carried out on a gram scale. Thus, this method represents a green, efficient method for carbon–sulfur bond formation. The aryl sulfones were also further transformed into molecules that are important for drug discovery.
Selectively screen the antibacterial peptide from the hydrolysates of highland barley
Authors: Pei Jinjin , Feng Zhenzhen , Ren Ting , Jin Wengang , Li Xinsheng , Chen Dejing , Tao Yanduo , Dang Jun
Published: September 2017

Highland barley is one of the most important industrial crops in Tibetan plateau. Previous research indicated that highland barley has many medical functions. In this work, the antibacterial abilities of highland barley were investigated. The protein solutions hydrolyzed by trypsin for 4 h exhibited the highest antibacterial activity. An antibacterial peptide, barleycin, was screened and purified by magnetic liposome extraction combining with the protein profiles of reversed‐phase high‐performance liquid chromatography (RP‐HPLC). Structure, characterization, and safety evaluation of barleycin were further investigated. Amino acids sequence was determined as Lys‐Ile‐Ile‐Ile‐Pro‐Pro‐Leu‐Phe‐His by N‐sequencing. Circular dichroism spectra indicated the a‐helix conformation of barleycin. The activity spectrum included Bacillus subtilis, Staphylcoccus aureus, Listeria innocua and Escherichia coli and the MICs were from 4 to 16 μg/mL. Safety evaluations with cytotoxicity and hemolytic suggested this antibacterial peptide could be considered as safe at MICs. Finally, mode of action of barleycin on sensitive cells was primarily studied. The results suggested the damage of cell membrane.
Emotion Recognition in Face and Body Motion in Bulimia Nervosa
Authors: Dapelo Marcela Marin , Surguladze Simon , Morris Robin , Tchanturia Kate
Published: September 2017

Social cognition has been studied extensively in anorexia nervosa (AN), but there are few studies in bulimia nervosa (BN). This study investigated the ability of people with BN to recognise emotions in ambiguous facial expressions and in body movement. Participants were 26 women with BN, who were compared with 35 with AN, and 42 healthy controls. Participants completed an emotion recognition task by using faces portraying blended emotions, along with a body emotion recognition task by using videos of point‐light walkers. The results indicated that BN participants exhibited difficulties recognising disgust in less‐ambiguous facial expressions, and a tendency to interpret non‐angry faces as anger, compared with healthy controls. These difficulties were similar to those found in AN. There were no significant differences amongst the groups in body motion emotion recognition. The findings suggest that difficulties with disgust and anger recognition in facial expressions may be shared transdiagnostically in people with eating disorders. Copyright © 2017 John Wiley & Sons, Ltd and Eating Disorders Association.
An Adjunctive Multi‐family Group Intervention with or without Patient Participation during an Inpatient Treatment for Adolescents with an Eating Disorder: A Pilot Study
Authors: Depestele Lies , Claes Laurence , Dierckx Eva , Colman Roos , Schoevaerts Katrien , Lemmens Gilbert M.D.
Published: September 2017

This study reports on a pilot study of a family group intervention with or without patient participation adjunctive to a specialized inpatient treatment for eating disorders (EDs). Participants were 112 female adolescent ED inpatients and one or both of their parents. The parents were invited to participate in an adjunctive multi‐family group with patient (MFT) or in a similar multi‐parent group without patient participation (MPT). Questionnaires assessing ED symptoms, family functioning and caregiving experiences were administered before and after intervention. Post‐intervention results obtained from both patient and parent(s) indicated that improvement in ED symptoms and parental burden occurred after both types of interventions. Family functioning improved differently according to the informant: fathers reported an improvement of general family functioning, patients reported an improvement of problem solving and mothers reported a decrease in problem solving across both formats. This study emphasized the importance of including a multi‐informant approach in family interventions. Copyright © 2017 John Wiley & Sons, Ltd and Eating Disorders Association.
The Role of Epigenomics in Aquatic Toxicology
Authors: Brander Susanne M. , Biales Adam D. , Connon Richard E.
Published: September 2017

Over the past decade, the field of molecular biology has rapidly incorporated epigenetic studies to evaluate organism–environment interactions that can result in chronic effects. Such responses arise from early life stage stress, the utilization of genetic information over an individual's life time, and transgenerational inheritance. Knowledge of epigenetic mechanisms provides the potential for a comprehensive evaluation of multigenerational and heritable effects from environmental stressors, such as contaminants. Focused studies have provided a greater understanding of how many responses to environmental stressors are driven by epigenetic modifiers. We discuss the promise of epigenetics and suggest future research directions within the field of aquatic toxicology, with a particular focus on the potential for identifying key heritable marks with consequential impacts at the organism and population levels. Environ Toxicol Chem 2017;36:2565–2573. © 2017 SETAC
On gradient‐based optimization strategies for inverse problems in metal forming
Authors: Landkamer P. , Söhngen B. , Steinmann P. , Willner K.
Published: September 2017

In the context of metal forming, optimization issues typically lead to inverse problems with a least‐squares minimization as the objective. Due to the nonlinearities in forming simulations, iterative optimization approaches have to be considered. Gradient‐based solution strategies for two inverse problems are proposed and compared to each other. Firstly, the identification of elasto‐plastic material parameters is regarded. Secondly, a recently developed approach for the determination of an optimal workpiece design is investigated. As a special feature, both approaches can be coupled in a non‐invasive fashion to arbitrary external finite element software via subroutines.
Simulation of Cutting processes by the Particle Finite Element Method
Authors: Sabel Matthias , Müller Ralf , Sator Christian
Published: September 2017

The cutting process is characterised by large deformations and large configurational changes. Especially the formation of chips and burrs pushes established modeling techniques to their limits. To overcome these difficulties, the particle finite element method (PFEM) combines the benefits of discrete modeling techniques and methods based on continuum mechanics. In this work an outline of the PFEM algorithm is provided and the method is tested in a comparison to the standard finite element method (FEM). The influence of the boundary detection within the PFEM algorithm on the structural integrity of the material is studied and the numerical examples include a tensile test as well as cutting simulations, and parameter studies on important process parameters in cutting.
The impact of a mosquito net voucher subsidy programme on incremental ownership: The case of the Tanzania National Voucher Scheme
Authors: Harman Luke , Goodman Catherine , Dorward Andrew
Published: September 2017

The subsidisation of mosquito nets has been widely used to increase ownership in countries where malaria represents a public health problem. However, an important question that has not been addressed empirically is how far net subsidy programmes increase ownership above the level that would have prevailed in the absence of the subsidy (i.e., incremental ownership). This study addresses that gap by investigating the impact of a large‐scale mosquito net voucher subsidy––the Tanzania National Voucher Scheme (TNVS)––on short‐term demand for unsubsidised commercial nets, estimating a household demand model with nationally representative household survey data. The results suggest that, despite the TNVS using a categorical targeting approach that did not discriminate by wealth, it still led to a large increase in incremental ownership of mosquito nets, with limited evidence of displacement of unsubsidised sales. Although no evidence is found of an additional TNVS voucher decreasing the number of unsubsidised sales in the same period, results indicate that an additional TNVS voucher reduced the probability of purchasing any unsubsidised net in the same period by 14%. The findings also highlight the critical role played by social learning or campaign messaging in increasing mosquito net ownership.
Rate of seeding with biopsies and ablations of hepatocellular carcinoma: A retrospective cohort study
Authors: Szpakowski Jean‐Luc , Drasin Todd E. , Lyon Liisa L.
Published: September 2017

Biopsies of liver masses that prove to be hepatocellular carcinomas (HCCs) are associated with a risk of seeding the abdominal or chest wall with tumor cells. The reported frequency of seeding varies greatly in the literature. We performed a retrospective cohort study in a large integrated health care system to examine rates of seeding in patients with HCC who had targeted liver biopsies, ablations, or both performed by community radiologists. We reviewed pathology and radiology records to determine the occurrence of wall seeding, defined as a chest or abdominal wall lesion along a definite or probable needle tract. A total of 1,015 patients had targeted liver biopsies (795), ablations (72), or both (148). Multiple procedures were done in 284 patients (28%). Six cases of seeding were identified. The rate of wall seeding was 2/795 patients (0.13%; 95% confidence interval [CI], 0.00%‐0.60%) if only biopsies were done versus 4/220 (1.82%; 95% CI, 0.05%‐3.58%) if ablations were performed (P = 0.01). The rate was 0/72 (0.00%; 95% CI, 0.00%‐0.04%) with ablations alone and 4/148 (2.70%; 95% CI, 0.74%‐6.78%) if both procedures were done (P = 0.31). Of those with 1 year follow‐up (n = 441), the rate of seeding was 2/269 (0.74%; 95% CI, 0.00%‐1.77%) if biopsies alone were done and 4/172 (2.33%; 95% CI, 0.07%‐4.58%) if ablations were done. In none of the cases was the seeding a proximate cause of death. Conclusion: Biopsies of liver masses are associated with a low rate of wall seeding when performed in a community setting and when they are the sole procedures. Ablations may have a higher rate of seeding, particularly if done with biopsies, but are still rare. (Hepatology Communications 2017;1:841–851)
Missing binary data extraction challenges from Cochrane reviews in mental health and Campbell reviews with implications for empirical research
Authors: Spineli Loukia M.
Published: September 2017

Objectives

Tο report challenges encountered during the extraction process from Cochrane reviews in mental health and Campbell reviews and to indicate their implications on the empirical performance of different methods to handle missingness.

Methods

We used a collection of meta‐analyses on binary outcomes collated from a previous work on missing outcome data. To evaluate the accuracy of their extraction, we developed specific criteria pertaining to the reporting of missing outcome data in systematic reviews. Using the most popular methods to handle missing binary outcome data, we investigated the implications of the accuracy of the extracted meta‐analysis on the random‐effects meta‐analysis results.

Results

Of 113 meta‐analyses from Cochrane reviews, 60 (53%) were judged as “unclearly” extracted (ie, no information on the outcome of completers but available information on how missing participants were handled) and 42 (37%) as “unacceptably” extracted (ie, no information on the outcome of completers as well as no information on how missing participants were handled). For the remaining meta‐analyses, it was judged that data were “acceptably” extracted (ie, information on the completers' outcome was provided for all trials). Overall, “unclear” extraction overestimated the magnitude of the summary odds ratio and the between‐study variance and additionally inflated the uncertainty of both meta‐analytical parameters. The only eligible Campbell review was judged as “unclear.”

Conclusions

Depending on the extent of missingness, the reporting quality of the systematic reviews can greatly affect the accuracy of the extracted meta‐analyses and by extent, the empirical performance of different methods to handle missingness.
Characterization and stratification of prostate lesions based on comprehensive multiparametric MRI using detailed whole‐mount histopathology as a reference standard
Authors: Starobinets Olga , Simko Jeffry P. , Kuchinsky Kyle , Kornak John , Carroll Peter R. , Greene Kirsten L. , Kurhanewicz John , Noworolski Susan M.
Published: September 2017

The purpose of this study was to characterize prostate cancer (PCa) based on multiparametric MR (mpMR) measures derived from MRI, diffusion, spectroscopy, and dynamic contrast‐enhanced (DCE) MRI, and to validate mpMRI in detecting PCa and predicting PCa aggressiveness by correlating mpMRI findings with whole‐mount histopathology. Seventy‐eight men with untreated PCa received 3 T mpMR scans prior to radical prostatectomy. Cancerous regions were outlined, graded, and cancer amount estimated on whole‐mount histology. Regions of interest were manually drawn on T2‐weighted images based on histopathology. Logistic regression was used to identify optimal combinations of parameters for the peripheral zone and transition zone to separate: (i) benign from malignant tissues; (ii) Gleason score (GS) ≤3 + 3 disease from ≥GS3 + 4; and (iii) ≤ GS3 + 4 from ≥GS4 + 3 cancers. The performance of the models was assessed using repeated fourfold cross‐validation. Additionally, the performance of the logistic regression models created under the assumption that one or more modality has not been acquired was evaluated. Logistic regression models yielded areas under the curve (AUCs) of 1.0 and 0.99 when separating benign from malignant tissues in the peripheral zone and the transition zone, respectively. Within the peripheral zone, combining choline, maximal enhancement slope, apparent diffusion coefficient (ADC), and citrate measures for separating ≤GS3 + 3 from ≥GS3 + 4 PCa yielded AUC = 0.84. Combining creatine, choline, and washout slope yielded AUC = 0.81 for discriminating ≤GS3 + 4 from ≥GS4 + 3 disease. Within the transition zone, combining washout slope, ADC, and creatine yielded AUC = 0.93 for discriminating ≤GS3 + 3 and ≥GS3 + 4 cancers. When separating ≤GS3 + 4 from ≥GS4 + 3 PCa, combining choline and washout slope yielded AUC = 0.92. MpMRI provides excellent separation between benign tissues and PCa, and across PCa tissues of different aggressiveness. The final models prominently feature spectroscopy and DCE‐derived metrics, underlining their value within a comprehensive mpMRI examination.
Genetic heterogeneity of uncharacterized childhood autoimmune diseases with lymphoproliferation
Authors: Takagi Masatoshi , Hoshino Akihiro , Yoshida Kenichi , Ueno Hiroo , Imai Kohsuke , Piao Jinhua , Kanegane Hirokazu , Yamashita Motoi , Okano Tsubasa , Muramatsu Hideki , Okuno Yusuke , Shiraishi Yuichi , Chiba Kenichi , Tanaka Hiroko , Miyano Satoru , Ogawa Seishi , Hayashi Yasuhide , Kojima Seiji , Morio Tomohiro
Published: September 2017

Autoimmune diseases in children are rare and can be difficult to diagnose.  Single causative genes have been identified for some pediatric autoimmune diseases. Such orphan diseases may not be diagnosed properly due to the variability of patients' phenotypes. Guidelines for the diagnostic process need to be developed. Fifteen patients with uncharacterized childhood autoimmune diseases with lymphoproliferation that had negative testing for autoimmune lymphoproliferative syndrome were subjected to whole‐exome sequencing to identify genes associated with these conditions. Five causative genes, CTLA4, STAT3, TNFAIP3, IKZF1, and PSTPIP1, were identified. These genes should be considered as candidates for uncharacterized childhood autoimmune diseases with lymphoproliferation.
Synthesis and characterization of polymer linked copper(I) bis(N‐heterocyclic carbene) mechanocatalysts
Authors: Michael Philipp , Sheidaee Mehr Shima Khazraee , Binder Wolfgang H.
Published: September 2017

In this paper, the synthesis and characterization of a series of latent polymeric bis(N‐heterocyclic carbene) (NHC) copper(I) complexes is reported, which can be activated for the copper(I)‐catalyzed azide/alkyne cycloaddition (CuAAC) via ultrasound. To prove the influence of chain length and nature of the polymer towards the activation, poly(isobutylene) (PIB), poly(styrene) (PS) and poly(tetrahydrofuran) (PTHF) are synthesized via living polymerization techniques (LCCP, ATRP, CROP) obtaining different chain lengths (from 2500 to 9000 g/mol), followed by quaternization with N‐methylimidazole, generating the corresponding N‐methylimidazolium‐telechelic polymers. The deprotonation of these macroligands via strong bases like sodium tert‐butoxide (NaOtBu) or potassium hexamethyldisilazide (KHMDS) yields the free N‐heterocyclic carbenes (NHCs), which are used to coordinate to tetrakis(acetonitrile)copper(I) hexafluorophosphate, forming the final polymer‐based mono‐ and bis(N‐methylimidazole‐2‐ylidene) copper(I)X complexes. The structural proof of these complexes is accomplished via 1H‐NMR spectroscopy, MALDI‐TOF‐MS and GPC‐techniques. The activation of the copper(I) biscarbene catalysts by ultrasound is studied by GPC, revealing the cleavage of one shielding NHC‐ligand. The initial catalytic latency and the via ultrasound introduced catalytic activation is successfully demonstrated monitoring a CuAAC “click” reaction of benzyl azide and phenylacetylene by in situ 1H‐NMR spectroscopy introducing thus “click” conversions up to 97%. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017, 55, 3893–3907
Fascin and esophageal squamous cell carcinoma
Authors: Cheng Yinwei , Xie Jianjun , Zeng Famin , Nie Pingjuan , Wu Bingli , Du Zepeng , Pan Feng , Wu Jianyi , Xie Lei , Zhang Pixian , Xu Xiu‐e , Liao Liandi , Xie Yangmin , Shen Jian , Wu Zhiyong , Peng Yuhui , Xu Yiwei , Xie Wenming , Wang Shaohong , Lin Xuanhao , Fu Junhui , Zheng Chunpeng , Tao Lihua , Fang Wangkai , Xu Liyan , Li Enmin
Published: September 2017

In a cancer prevalence survey, China was recognized to have a high incidence of esophageal cancer. Esophageal squamous cell carcinoma (ESCC) is the predominant subtype of esophageal cancer and accounts for the vast majority of cases every year. ESCC cases in China contribute toward nearly half of all new global cases each year. As one of the higher ESCC prevalence regions in China, the Chaoshan District of Guangdong Province is the only area on the Chinese coastline with such a distinguished profile. Our laboratory, which is located in the Chaoshan District, studies the biological function, molecular basis, regulation mechanisms, and clinical significance of abnormally expressed cellular cytoskeleton binding proteins in ESCC, such as ezrin, fascin, LCN2, LOXL2, and DSC2. In the present review, we summarized studies on fascin in ESCC reported by our laboratory and other laboratories around the world. In ESCC, fascin expression is highly upregulated at the mRNA and protein levels, and can serve as an early biomarker for tumor invasion and metastasis. Furthermore, fascin transcription is directly activated through Sp1 binding to its promoter; this process is enhanced through the phosphorylation of Sp1 by the epidermal grown factor‐activated Mitogen‐activated protein kinase (MAPK)/Extracellular signal‐regulated kinase (ERK) (MEK)‐ERK1/2 signaling pathway. Furthermore, the function of fascin is also regulated by post‐translational modifications. For instance, the phosphorylation of several amino acid residues of fascin inhibits ESCC cell behavior and filopodia formation. However, whether other types of fascin modifications exist remains unknown and requires further study.
Assessment of a knowledge‐based RapidPlan model for patients with postoperative cervical cancer
Authors: Ma Changsheng , Huang Fujing
Published: September 2017

Objective

To show the feasibility of using a knowledge‐based RapidPlan model to generate new cervical intensity modulated radiation therapy (IMRT) plans.

Methods

A database of 20 cervical IMRT treatment plans was assembled to create a knowledge‐based IMRT RapidPlan model. Another 19 clinical cases were selected to test the model. A comparison analysis of the difference in dose–volume histograms between the semiautomated treatment plans and the original treatment plans was carried out.

Results

On average, the new knowledge‐based RapidPlans can achieve planning target volume coverage that is highly comparable with the original plan, within 1%, as evaluated for D98, D95, and D1. For the rectum, the mean and standard deviation of the dose percentage differences for D20, D30, and D50 were 3.79 ± 8.31%, 4.00 ± 9.87%, and 1.52 ± 10.89%, respectively. For the bladder, the mean and standard deviation of the dose percentage differences for D20, D30, and D50 were –2.43 ± 9.40%, –2.03 ± 10.17%, and –2.94 ± 12.30%, respectively. For the femoral heads, the mean and standard deviation of the dose percentage differences for the left and right were 3.15 ± 18.29% and –3.18 ± 13.79%, respectively.

Conclusion

We showed a knowledge‐based IMRT plan model for cervical cancer that can generate clinically acceptable treatment plans of high quality. This semiautomated approach can improve the efficiency of the treatment planning process while ensuring that high‐quality plans are developed.
A Comparative Study on DNA Binding Properties of 2,10,16,24‐Tetrakis 4‐(4‐hydroxyphenyl)‐1‐phenylethyl) phenoxy)‐Substituted Co(II) and Mg(II) Phthalocyanine Compounds
Authors: Arslantas Ali , Agirtas Mehmet Salih
Published: September 2017

In this study, DNA binding properties of 2,10,16,24‐tetrakis4‐(4‐hydroxyphenyl)‐1‐phenylethyl)phenoxy)phthalocyaninato Co(II) and Mg(II) compounds were analyzed. CT‐DNA was used to determine DNA binding properties of Co(II) (4) and Mg(II) (5) phthalocyanine compounds. The DNA binding properties of compounds 4 and 5 were investigated using electronic absorption titration, fluorescence spectroscopy, cyclic voltammetry, thermal denaturation study, electrophoresis and viscosity measurements in Tris‐buffer (pH 7.0). The results indicated that Co(II) and Mg(II) phthalocyanine compounds have strong affinity for CT‐DNA through intercalation.
Palladium‐Catalyzed Aerobic Oxidative Synthesis of 3‐Phenylquinoline with Azides and Aldehydes
Authors: Luo Xin‐Liang , Liu Xing‐Xing , Pu Jing‐Hong , Tian Wan‐Fa , Zhou Xiao‐Qiang , Wei Dai‐Dong , Huang Guo‐Sheng
Published: September 2017

A new strategy for the synthesis of 3‐phenylquinoline through annulation of azides with aldehydes has been established. The transformation was accomplished by palladium‐catalyzed C−H functionalization and C−C bond cleavage to form two C−C bonds and one C−N bond in one‐pot manner. This reaction system has a relatively broad reaction scope, providing a facile pathway for the synthesis of 3‐phenyl‐quinoline.
Copper‐Exchanged Magnetic‐FAp: Surface Catalysis in Decarboxylative Coupling of α‐Oxocarboxylic Acids with Formamides
Authors: Mirfarjood Seyed‐Abdollah , Mamaghani Manouchehr , Sheykhan Mehdi
Published: September 2017

An unprecedented heterogeneous catalysis in the decarboxylative coupling of α‐oxocarboxylic acids is developed. A novel copper‐containing magnetic catalyst was synthesized by introducing copper into calcium fluorapatite encapsulated iron oxide. This catalyst led to the synthesis of α‐ketoamides with a promising TON exceeding 1200.