bluuebunny/crossref_metadata_2025 huggingface dataset:
Magnetically Recoverable Cu0/Fe3O4‐Catalysed One‐Pot Tandem Synthesis of Sulfur‐Containing Triazoles from Alkynes and Azide: DMSO Acts as an Alkylating Agent
Authors: Phanindrudu Mandalaparthi , Tiwari Dipak Kumar , Aravilli Vinod Kumar , Bhardwaj Kishor Chandra , Sabapathi Gokulnath , Likhar Pravin R. , Tiwari Dharmendra Kumar
Published: August 2016

An efficient one‐pot tandem nano Cu0/Fe3O4‐catalysed synthesis of sulfur‐containing triazoles from alkynes and azide has been developed. In this newly developed method, the readily available TMS‐azide and dimethyl sulfoxide act as nitrogen and sulfur sources, respectively. The catalyst was magnetically recovered and reused six times without any significant loss of activity.
Enhanced Potentiometric Detection of Hydrogen Peroxide Using a Platinum Electrode Coated with Nafion
Authors: Parrilla Marc , Cánovas Rocío , Andrade Francisco J.
Published: August 2016

The potentiometric response to hydrogen peroxide of a platinum electrode coated with a layer of Nafion is presented. The results show that the Nafion membrane acts as an effective permselective barrier, thus significantly reducing the response to some redox active species, such as ascorbate. Even more interesting, these coated electrodes show a significantly enhanced sensitivity to hydrogen peroxide (H2O2) when the measurements are performed in solutions of high ionic strength. The influence of pH, ionic strength and supporting electrolyte on this enhancement are presented. Under optimized conditions these coated electrodes show a linear dependence with the logarithm of the concentration of H2O2, with sensitivities of −125.1±5.9 mV decade−1 (several times higher than the bare electrodes) and a linear range that spans from 10−5 M to 10−3 M of H2O2. Preliminary studies suggest that the coupling between the redox potential on the Pt electrode and the Donnan potential of the membrane plays a role on this enhancement. Considering this improved sensitivity, selectivity, stability and linear ranges, this system shows promise as a future platform to build enzyme‐based potentiometric biosensors.
Validation of Expressmarker mtDNA‐SNP60: A mitochondrial SNP kit for forensic application
Authors: Zhang Chen , Li Hui , Zhao Xueying , Ma Ke , Nie Yanchai , Liu Wenbin , Jiao Haitao , Zhou Huaigu
Published: August 2016

Expressmarker mtDNA‐SNP60 kit, a 3‐dye fluorescence labeling forensic mitochondrial‐SNP kit, was developed and modified based on previous work. In this study, it was validated through sensitivity, precision, accuracy, reproducibility, species specificity, mixture samples, PCR‐based conditions, and inhibitor studies, according to the Scientific Working Group on DNA Analysis Methods guidelines. In the sensitivity study, full profile was obtained from template DNA with the quantity ≥ 4 pg. Consistent profiles were obtained at three different laboratories, which demonstrated the reproducibility of the kit. No peak was observed in the profiles of common animal species and microorganisms demonstrating high species specificity of the kit. In the mixture study, some loci (minor contributors) were missing at 19:1 and 9:1 ratios, whereas all loci could be profiled at other ratios (4:1, 2:1, and 1:1). PCR‐based studies demonstrated that there recommended PCR conditions were optimized for the kit, and there was acceptable tolerance of error. The inhibitor study indicated that the kit has varying degrees of resistance to the presence of common inhibitors. Twelve random individuals were profiled by next‐generation sequencing to confirm the allele‐specific PCR assay, and a consistent result was obtained. Furthermore, 520 individuals from 260 families were profiled and the results showed that all loci of the confirmed mother and child were matched. In addition, forensic population genetics parameters, including random match probability, discrimination power, and haplotype diversity, were calculated (0.0474, 0.9526, and 0.9563, respectively). Our study demonstrates that the Expressmarker mtDNA‐SNP60 kit can be a useful supplementary tool for forensic application.
Mesoporous Spinel Nanofibers and Nitrogen‐doped Carbon Nanotubes as High‐Performance Electrocatalyst for Oxygen Reduction in Alkaline and Neutral Media
Authors: Wang Haijun , Wang Juan , Zhong Qin , Zhang Guangyao , Bu Yunfei
Published: August 2016

A mesoporous spinel nanofibers consisting of mixed transition‐metal oxides (Mn0.6Cu0.4Co2O4; MCCO) were synthesized using a facile electrospinning technique followed by a thermal treatment process. The porous structure results in a high surface area of the MCCO nanofibers, which plays a beneficial role in improving the electrocatalytic properties. By adding nitrogen‐doped carbon nanotubes (N‐CNT), a composite electrocatalyst MCCO/N‐CNT was fabricated. The ORR performances were evaluated in alkaline and neutral media. The results suggest that MCCO/N‐CNT hybrid can be used as a promising ORR catalyst for fuel‐cell applications.
Liquid–Solid Phase‐Change Behavior of Diethylenetriamine in Nonaqueous Systems for Carbon Dioxide Absorption
Authors: Zhang Zheng , Zhao Wenbo , Nong Jiejing , Feng Dong , Li Yanhong , Chen Yuan , Chen Jian
Published: August 2016

Conventional amine scrubbing systems for carbon dioxide capture require a large amount of energy to regenerate the absorbent. Theoretically, if CO2‐captured product can be separated from the liquid counterpart, and only this product need to be heated for desorption, the energy efficiency for CO2 capture can be improved greatly. In the present work, diethylenetriamine (DETA) dissolved in ethanol, diethylene glycol dimethyl ether, N‐methyl‐pyrrolidone, or dimethyl carbonate can absorb CO2 to result in liquid–solid phase‐change in addition to making the reaction to achieve its stoichiometric maximum. The results show that the different organic solvents have no influence on the formation of precipitate. Single‐crystal structure analysis indicates a DETA–carbamate is formed with equimolar CO2 absorption. The absorption–desorption cycles using microwave heating shows that the system has a relatively stable cycling performance.
Metabolomic responses to sublethal contaminant exposure in neonate and adult Daphnia magna
Authors: Wagner Nicole D. , Simpson André J. , Simpson Myrna J.
Published: August 2016

The use of consumer products and pharmaceuticals that act as contaminants entering waterways through runoff and wastewater effluents alters aquatic ecosystem health. Traditional toxicological endpoints may underestimate the toxicity of contaminants, as lethal concentrations are often orders of magnitude higher than those found within freshwater ecosystems. While newer techniques examine the metabolic responses of sublethal contaminant exposure, there has been no direct comparison with ontogeny in Daphnia. It was hypothesized that Daphnia magna would have distinct metabolic changes after 3 different sublethal contaminant exposures, because of differences in the toxic mode of action and ontogeny. To test this hypothesis, the proton nuclear magnetic resonance metabolomic profiles were measured in D. magna aged day 0 and 18 after exposure to 28% of the lethal concentration of 50% of organisms tested (LC50) of atrazine, propranolol, and perfluorooctanesulfonic acid (PFOS) for 48 h. Principal component analysis revealed significant separation of contaminants from the control daphnids in both neonates and adults exposed to propranolol and PFOS. In contrast, atrazine exposure caused separation from the controls in only the adult D. magna. Minimal ontogenetic changes in the targeted metabolites were seen after exposure to propranolol. For both atrazine and PFOS exposures ontogeny exhibited unique changes in the targeted metabolites. These results indicate that, depending on the contaminant studied, neonates and adults respond uniquely to sublethal contaminant exposure. Environ Toxicol Chem 2017;36:938–946. © 2016 SETAC
High Efficiency DC/AC/DC Converter Based on Synchronous Rectifier for Proton Exchange Membrane Fuel Cells
Authors: Depernet D. , Gustin F. , Hissel D.
Published: August 2016

This paper deals with the efficiency improvement of a DC/AC/DC converter used for proton exchange membrane fuel cell (PEMFC) coupling to an electrical vehicle DC bus. The power converter is based on a MOSFET inverter stage, a high frequency planar technology transformer stage and a full bridge diode rectifier output stage. The diode rectifier is a source of losses due to the diode forward voltage, which may be reduced by implementation of synchronous rectifier technology, especially for high output current. Mosfets with low drain‐to‐source on‐resistance are coupled to the diodes to reduce the losses. Control principle of this converter is presented with losses modeling and efficiency study in order to highlight the advantages of the synchronous rectification. Efficiency improvement is quantified from a comparison study with technological choices including silicon carbide (SiC) MOSFET and Schottky diodes. This study points out that the synchronous rectification becomes really relevant for an actual scale‐1 application and not for our reduced scale laboratory power converter. Finally, experimental validation of the control is presented with our laboratory test bench. The realization of a scale‐1 converter is under study to experimentally validate the advantages of the proposed synchronous rectification.
Microstructure and Polarization Studies on Interlayer Free La0.65Sr0.3Co0.2Fe0.8O3–δ Cathodes Fabricated on Yttria Stabilized Zirconia by Solution Precursor Plasma Spraying
Authors: Shri Prakash B. , Balaji N. , Senthil Kumar S. , Aruna S. T.
Published: August 2016

Nano‐structured cathodes of La0.65Sr0.3Co0.2Fe0.8O3–δ (LSCF) are fabricated by solution precursor plasma spraying (SPPS) on yttria stabilized zirconia (YSZ) electrolytes (LSCF‐SPPS‐YSZ). Phase pure LSCF is obtained at all plasma power. Performances of LSCF‐SPPS‐YSZ cathodes are compared with conventionally prepared LSCF cathodes on YSZ (LSCF‐C‐YSZ) and gadolinium doped ceria (GDC) (LSCF‐C‐GDC) electrolytes. High Rp is observed in the LSCF‐C‐YSZ (∼42 Ohm cm2 at 700 °C) followed by LSCF‐C‐GDC (Rp ∼ 1.5 Ohm cm2 at 700 °C) cathodes. Performance of the LSCF‐SPPS‐YSZ cathodes (Rp ∼ 0.1 Ohm cm2 at 700 °C) is found to be even superior to the performance of LSCF‐C‐GDC cathodes. High performance in LSCF‐SPPS‐YSZ cathodes is attributed to its nano‐structure and absence of any interfacial insulating phase which may be attributed to the low temperature at the interaction point of LSCF and YSZ and low interaction time between LSCF and YSZ during SPPS process. In the time scale of 100 h, no change in the polarization resistances is observed at 750 °C. Based on the literature and from the present studies it can be stated that SOFC with YSZ electrolyte and LSCF‐SPPS‐YSZ cathode can be operated at 750 °C for a longer duration of time and good performance can probably be achieved.
DEFINING RELATIONAL PATHOLOGY IN EARLY CHILDHOOD: THE DIAGNOSTIC CLASSIFICATION OF MENTAL HEALTH AND DEVELOPMENTAL DISORDERS OF INFANCY AND EARLY CHILDHOOD DC:0–5 APPROACH
Authors: Zeanah Charles H. , Lieberman Alicia
Published: August 2016

Infant mental health is explicitly relational in its focus, and therefore a diagnostic classification system for early childhood disorders should include attention not only to within‐the‐child psychopathology but also between child and caregiver psychopathology. In this article, we begin by providing a review of previous efforts to introduce this approach that date back more than 30 years. Next, we introduce changes proposed in the Diagnostic Classification of Mental Health and Developmental Disorders of Infancy and Early Childhood DC:0–5 (ZERO TO THREE, in press). In a major change from previous attempts, the DC:0–5 includes an Axis I “Relationship Specific Disorder of Early Childhood.” This disorder intends to capture disordered behavior that is limited to one caregiver relationship rather than cross contextually. An axial characterization is continued from the Diagnostic Classification of Mental Health and Developmental Disorders of Infancy and Early Childhood DC:0–3R (ZERO TO THREE, 2005), but two major changes are introduced. First, the DC:0–5 proposes to simplify ratings of relationship adaptation/maladaptation, and to expand what is rated so that in addition to characterizing the child's relationship with his or her primary caregiver, there also is a characterization of the network of family relationships in which the child develops. This includes coparenting relationships and the entire network of close relationships that impinge on the young child's development and adaptation.
Work Ethic, Social Ethic, no Ethic: Measuring the Economic Values of Modern Christians
Authors: Colvin Christopher L. , McCracken Matthew
Published: August 2016

Benito Arruñada finds evidence of a distinct Protestant social ethic in the ISSP's 1998 Religion II Survey (Economic Journal 2010; 120: 890–918). We replicate Arruñada's results using his broad definition of Protestantism and our new narrow definition, which includes only those ascetic denominations that Max Weber singled out for possessing a strong capitalist work ethic. We then extend this analysis to the ISSP's 2008 Religion III Survey, the most recent comparable international questionnaire on religious attitudes and religious change. We find no evidence of a Calvinist work ethic, and suggest that Arruñada's Protestant social ethic continues into the 21st century. Copyright © 2016 John Wiley & Sons, Ltd.
DOCUMENTING HUMAN NATURE: E. RICHARD SORENSON AND THE NATIONAL ANTHROPOLOGICAL FILM CENTER, 1965–1980
Authors: LINK ADRIANNA
Published: August 2016

This article analyzes the development of the National Anthropological Film Center as an outgrowth of the Smithsonian's efforts to promote a multidisciplinary program in “urgent anthropology” during the 1960s and 1970s. It considers how film came to be seen as an ideal tool for the documentation and preservation of a wide range of human data applicable to both the behavioral and life sciences. In doing so, it argues that the intellectual and institutional climate facilitated by the Smithsonian's museum structure during this period contributed to the Center's initial establishment as well its eventual decline. Additionally, this piece speaks to the continued relevance of ethnographic film archives for future scientific investigations within and beyond the human sciences.
Ionic Liquid Catalyzed One‐Pot Synthesis of 2H‐Pyridazino[1,2‐a]indazole‐1,6,9(11H)‐triones Via Three‐Component Reaction under Solvent‐Free Conditions
Authors: Ding Maohua , Guo Hongyun
Published: August 2016

2H‐Pyridazino[1,2‐a]indazole‐1,6,9(11H)‐triones were synthesized through one‐pot, three‐component condesation of aldehydes, maleic hydrazide, and dimedone using a green and inexpensive Brönsted acidic ionic liquid 1‐methyl‐2‐pyrrolidinone hydrosulfate ([Hnmp]HSO4) as catalyst under solvent‐free conditions. The method provided several advantages such as milder conditions, shorter reaction time, high yields, and environmentally benign procedure.
An Efficient Synthesis of Tetracyclic Pyrano[2,3‐d]pyrimidines
Authors: Lin Zhi‐Lan , Zhang Jun‐Min , Gao Yuan
Published: August 2016

A series of pyrano[2,3‐d]pyrimidine derivatives have been synthesized by the reaction of 2‐amino‐3‐cyano‐4H‐pyrans and acetic anhydride with acid catalyst . This method is very efficient because of short reaction times and easy work‐up, and it provides an efficient and promising synthetic strategy for the construction of the tetracyclic pyrano[2,3‐d]pyrimidine skeleton. The X‐ray crystal structures of products are confirmed, and the possible mechanism is provided in this paper.
Design, Synthesis, and Bioactivity Evaluation of Novel 3‐(Substituted Phenoxy)‐6‐Methyl‐4‐(3‐Trifluoromethylphenyl) Pyridazine Derivatives
Authors: Zou Xiaomao , Fu Cuirong , Wang Xin , Shan Pengcheng , Liu Jun , Yang Yazhe , Li Yonghong , Hu Fangzhu , Yang Huazheng
Published: August 2016

Using 3‐(4‐cyano phenoxy)‐6‐methyl‐4‐(3‐trifluoromethylphenyl) pyridazine (compoundA) as a leading compound, a total of 24 novel 3‐(substituted phenoxy)‐6‐methyl‐4‐(3‐trifluoromethylphenyl) pyridazine derivatives containing two electron‐withdrawing groups on the benzene ring (acylamine and oxime ether) were synthesized. Their herbicidal, insecticidal activities were bioassayed, and the herbicidal activity of compoundCD-2againstBrassica campestriswas 97.6% at 300 g/ha, which was better than the commercial herbicide diflufenican at the this concentration and is equal to the activity of the leading compoundA. CompoundCD-4,CD-5,CJ-3, andCJ-5displayed excellent insecticidal activity againstAphis laburniKaltenbach (>95%). The results show that the oxime ether substitutions exhibit better bleaching and herbicidal activity than the acylamine ones. The bleaching and herbicidal activity ofpara‐position substitutions is better than themeta‐position ones. It seems that thepara‐position on the benzene ring of oxime ether pyridazine derivatives is one of the key active sites that affect their herbicidal activities.
Updates of operative techniques for upper airway stimulation
Authors: Heiser Clemens , Thaler Erica , Boon Maurits , Soose Ryan J. , Woodson B. Tucker
Published: August 2016

Selective upper airway stimulation has been established as an additional treatment for obstructive sleep apnea (OSA). Essential for the treatment is the precise placement of the cuff electrode for select branches of the hypoglossal nerve, which innervate the protrusors and stiffeners of the tongue. A direct approach to the distal hypoglossal nerve has been established to achieve this goal. For surgeons, detailed knowledge of this anatomy is vital. Another decisive step is the placement of the sensing lead between the intercostal muscles. Also, the complexity of follow‐up care postoperatively should be kept in mind. The aim of this article is to provide the latest knowledge on the neuroanatomy of the hypoglossal nerve and to give surgeons a step‐by‐step guide on the current operative technique. Laryngoscope, 126:S12–S16, 2016
Upper airway stimulation therapy: A novel approach to managing obstructive sleep apnea
Authors: Soose Ryan J. , Gillespie M. Boyd
Published: August 2016

Objectives

Review the role of upper airway stimulation (UAS) therapy in the management of moderate to severe obstructive sleep apnea (OSA).

Data Sources

A literature search was performed of PubMed and Medline using the search terms clinical trial; obstructive sleep apnea; upper airway stimulation; hypoglossal stimulation; hypoglossal nerve; Inspire; and ImThera.

Review Methods

All published clinical trials of currently available devices were reviewed. Unpublished data were excluded.

Results

UAS therapy results in surgical success (AHI decrease of >50% and overall AHI <= 20) in 66% of implanted subjects. In addition, UAS therapy results in significant improvement in daytime sleepiness, snoring, and sleep‐related quality of life.

Conclusion

UAS therapy is a valid alternative for select patients with moderate to severe OSA who are unsuccessful users of CPAP therapy. Laryngoscope, 126:S5–S8, 2016
Improving writing processes using lean and Kanban
Authors: Bass Julian M.
Published: August 2016

Key points

Concepts from lean manufacturing and Kanban production can usefully be applied to writing for academic publication.

Value and pull focus the author's attention on the needs of reviewers, editors, and readers.

Value stream and flow emphasize an end‐to‐end process of prioritization, writing, editing, revision, resubmission, and publication

Perfection places emphasis on publication quality.

A Kanban board is advocated to plan and monitor the writing and publication lifecycle.

The author's experience shows a steady improvement in output rankings and researcher reputation metrics over a four‐year period.
Hardy type inequalities with kernels: The current status and some new results
Authors: Kufner Alois , Persson Lars‐Erik , Samko Natasha
Published: August 2016

We consider the general Hardy type operator where is a positive and measurable kernel. To characterize the weights u and v so that is still an open problem for any parameters p and q. However, for special cases the solution is known for some parameters p and q. In this paper the current status of this problem is described and discussed mainly for the case In particular, some new scales of characterizations in classical situations are described, some new proofs and results are given and open questions are raised.
A Fuzzy Topsis Method for Prioritized Aggregation in Multi‐Criteria Decision Making Problems
Authors: Fayek Aminah Robinson , Omar Moataz Nabil
Published: August 2016

Aggregation in a decision making environment requires the fusion of opinions of a group of decision makers. The group of decision makers are required to analyse a set of interrelated criteria that are usually measured on a linguistic scale. This process requires, in many instances, to capture experts experience, intuition and thinking that are traditionally expressed in a linguistic fashion rather than a numerical fashion. Furthermore, the necessity of considering the relationship between the criteria to the overall decision must be considered by the group of decision makers. This paper extends the application of fuzzy numbers, fuzzy relative importance scores (FRIS), fuzzy relative weights (FRW) and the fuzzy technique of order preference by similarity to ideal solution (TOPSIS) in prioritized aggregation. This extension provides a mean to systematically aggregate a group of decision makers' views for a set of interrelated criteria that are measured on a linguistic scale. First, an overview of the application of fuzzy numbers and the characteristics of aggregating fuzzy numbers in multi‐criteria decision making problems are presented. Then, the application of TOPSIS in fuzzy environments is presented. Next, past research is highlighted to present prioritized aggregation and the different aggregation operators' classes. Subsequently, a new prioritized aggregation method is presented. This method utilizes fuzzy TOPSIS with prioritized aggregation in fuzzy environments. Finally, the fuzzy prioritized aggregation method presented in this paper is applied on an actual case study. According to the results, the method presented in this paper provides a systematic approach to capture the uncertainty and imprecision associated with quantifying linguistic measurements in multi‐criteria decision making problems. Furthermore, it considers the relationship between the set of linguistically measured criteria undergoing prioritized aggregation in a fuzzy environment. Lastly, findings, conclusions and future work are presented. Copyright © 2016 John Wiley & Sons, Ltd.
Hierarchical Analysis of Bioactive Matched Molecular Pairs, Encoded Chemical Transformations, and Associated Substructures
Authors: Hu Ye , Bajorath Jürgen
Published: August 2016

The matched molecular pair (MMP) concept has become popular to assess molecular property changes resulting from small chemical modifications and study structure‐activity relationships (SARs). In this study, we further extend MMP analysis by introducing an MMP‐based hierarchical analysis scheme. Specifically, we report a large‐scale analysis of MMPs derived from bioactive compounds following a defined “MMP‐transformation‐substructure” hierarchy. This makes it also possible to categorize transformations and corresponding substructures on the basis of activity information. MMPs were systematically generated for compounds active against current pharmaceutical targets and stepwise decomposed into transformations and substructures. Surprisingly, most chemical transformations were only associated with single MMPs. Hence, the structural context of transformations was unexpectedly narrow. In addition, nearly half of all substructures were found to exclusively form single‐target transformations. Taken together, the results of our analysis provide a detailed view of MMP‐transformation‐substructure hierarchy and further increase the knowledge base of the MMP approach.
Preliminary study of mechanism of action of SN38 derivatives. Physicochemical data, evidence of interaction and alkylation of DNA octamer d(GCGATCGC)2
Authors: Naumczuk Beata , Kawęcki Robert , Bocian Wojciech , Bednarek Elżbieta , Sitkowski Jerzy , Kozerski Lech
Published: August 2016

The synthesis of water‐soluble SN38 derivatives is presented, and their stability in solutions used during drug development studies has been investigated. A preliminary study of mechanism of action of 9‐aminomethyl SN38 is presented. Using NMR techniques, the interaction of the oligomer d(GCGATCGC)2 is studied, showing that the terminal GC base pairs are the main site of interaction. Using pulsed field gradient spin echo and mass spectroscopy, evidence of a spontaneous alkylation reaction of the DNA oligomer with SN38 derivatives is presented. A proposed mechanism of reaction is suggested. Copyright © 2016 John Wiley & Sons, Ltd.
Mehrere Schimmelpilzgifte mit einer Methode
Authors: Stenzler Jan
Published: August 2016

Mykotoxine entstehen als Stoffwechselprodukte von Schimmelpilzen, die pflanzliche Lebensmittel auf dem Feld und während der Lagerung befallen. Wegen ihrer toxischen und krebserregenden Eigenschaften gelten weltweit niedrige Höchstgehalte. LC‐MS/MS erreicht die Bestimmungsgrenzen und erfasst viele Mykotoxine auf einmal.
Die Chemieindustrie jenseits der börsennotierten Konzerne
Authors: Sonntag André
Published: August 2016

Gut aufgestellte Unternehmen begegnen dem globalen Wettbewerbsdruck mit Investitionsfreude. Mit guten betriebswirtschaftlichen Kennzahlen können sich Unternehmen der Konkurrenz stellen.
Neue Bausteine für die organische Elektronik
Authors: Mai Juri , Orthaber Andreas
Published: August 2016

Phosphoratome in π‐konjugierten Systemen beeinflussen deren elektronische Eigenschaften. Die entstehenden ungesättigten und niedervalenten Organophosphorverbindungen eignen sich beispielsweise für Schalter, elektrochrome Materialien und Photovoltaik.
Vorstandssitzung
Authors: Koch Wolfram
Published: August 2016

Die erste Sitzung des neu gewählten Vorstands der Gesellschaft Deutscher Chemiker fand am 21. März in Heidelberg während der dort stattfindenden Chemiedozententagung statt.
An adaptive simplex cut‐cell method for high‐order discontinuous Galerkin discretizations of conjugate heat transfer problems
Authors: Ojeda Steven M. , Sun Huafei , Allmaras Steven R. , Darmofal David L.
Published: August 2016

In this paper, we present a solution framework for high‐order discretizations of conjugate heat transfer problems on non‐body‐conforming meshes. The framework consists of and leverages recent developments in discontinuous Galerkin discretization, simplex cut‐cell techniques, and anisotropic output‐based adaptation. With the cut‐cell technique, the mesh generation process is completely decoupled from the interface definitions. In addition, the adaptive scheme combined with the discontinuous Galerkin discretization automatically adjusts the mesh in each sub‐domain and achieves high‐order accuracy in outputs of interest. We demonstrate the solution framework through several multi‐domained conjugate heat transfer problems consisting of laminar and turbulent flows, curved geometry, and highly coupled heat transfer regions. The combination of these attributes yield nonintuitive coupled interactions between fluid and solid domains, which can be difficult to capture with user‐generated meshes. Copyright © 2016 John Wiley & Sons, Ltd.
A priori and a posteriori error analysis for the mixed discontinuous Galerkin finite element approximations of the biharmonic problems
Authors: Xiong Chunguang , Becker Roland , Luo Fusheng , Ma Xiuling
Published: August 2016

In this article, a new mixed discontinuous Galerkin finite element method is proposed for the biharmonic equation in two or three‐dimension space. It is amenable to an efficient implementation displaying new convergence properties. Through an auxiliary variable
, we rewrite the problem into a two‐order system. Then, the a priori error estimates are derived in L2 norm and in the broken DG norm for both u and p. We prove that, when polynomials of degree r
() are used, we obtain the optimal convergence rate of order r + 1 in L2 norm and of order r in DG norm for u, and the order r in both norms for
. The numerical experiments illustrate the theoretic order of convergence. For the purpose of adaptive finite element method, the a posteriori error estimators are also proposed and proved to field a sharp upper bound. We also provide numerical evidence that the error estimators and indicators can effectively drive the adaptive strategies. © 2016 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 33: 318–353, 2017
Decreased fetal hemoglobin over time among youth with sickle cell disease on hydroxyurea is associated with higher urgent hospital use
Authors: Green Nancy S. , Manwani Deepa , Qureshi Mahvish , Ireland Karen , Sinha Arpan , Smaldone Arlene M.
Published: August 2016

Background

Hydroxyurea (HU) induces dose‐dependent increased fetal hemoglobin (HbF) for sickle cell disease (SCD). Large deviation from historical personal best (PBest) HbF, a clinic‐based version of maximum dose, may identify a subset with suboptimal HU adherence over time.

Procedure

Retrospective clinical data from youth ages 10–18 years prescribed HU at two centers were extracted from medical records at three time points: pre‐HU initiation, PBest and a recent assessment. Decrease from PBest HbF of 20% or more at recent assessment despite stable dosing was designated as high deviation from PBest. Acute hospital use was compared between 1‐year periods, pre‐HU and ±6 months for PBest and recent assessment. Groups were compared using descriptive and bivariate nonparametric statistics.

Results

Seventy‐five youth, mean HU duration 5.9 years, met eligibility criteria. Mean ages of HU initiation, PBest and recent assessment were 8.0, 10.9 and 13.9 years, respectively. Despite stable dosing, average HbF of 19.5% at PBest overall declined by 31.8% at recent assessment. PBest HbF declined by 11.7 and 40.1% in two groups, the latter comprised 70.7% of the sample, had lower pre‐HU and recent HbF and higher dosing. They experienced more urgent hospital use during the year framing recent assessment than during PBest; these findings were supported by sensitivity analysis.

Conclusions

Decline from PBest HbF is a novel approach to assess HU effectiveness, is common among youth and may represent suboptimal adherence. Larger prospective studies using additional adherence measures are needed to confirm our approach of tracking HbF deviation over time and to define an appropriate cutoff.
Pharmacokinetics and analgesic effects of methadone in children and adults with sickle cell disease
Authors: Horst Jennifer , Frei‐Jones Melissa , Deych Elena , Shannon William , Kharasch Evan D.
Published: August 2016

Background

Vaso‐occlusive episodes (VOEs) are a significant source of morbidity among children and adults with sickle cell disease (SCD). There is little information on methadone use for SCD pain. This investigation evaluated methadone pharmacokinetics in children and adults with SCD, with a secondary aim to assess pain relief and opioid consumption.

Procedure

Participants included children (<18 years) and adults with a VOE requiring hospitalization. Patients were randomly assigned to receive standard care (opioid patient‐controlled analgesia; control group) or one dose of intravenous methadone (0.1–0.125 mg/kg) in addition to standard care (methadone group). Venous methadone and metabolite concentrations were measured. Pain scores, pain relief scores, and opioid consumption were recorded.

Results

Twenty‐four children (12 methadone, 12 controls) and 23 adults (11 methadone, 12 controls) were studied. In children, the half‐life of R‐ and S‐methadone enantiomers was 34 ± 16 and 24 ± 9 hr, respectively. In adults, R‐ and S‐methadone half‐lives were 52 ± 17 and 38 ± 12 hr, respectively. Pain scores were lower (P = 0.002) and pain relief scores were higher (P = 0.0396) in children receiving methadone versus controls. There was no difference in pain scores and pain relief in adults receiving methadone versus controls. There was no difference in opioid consumption between methadone and control groups, in both adults and children.

Conclusions

Intravenous methadone disposition in children and adults with SCD was comparable to that in subjects without SCD from prior studies. Methadone produced more pain relief than standard care in children with SCD. Higher methadone doses may be more effective and should be evaluated in both children and adults with SCD.
Critical raw materials in lighting applications: Substitution opportunities and implication on their demand
Authors: Pavel Claudiu C. , Marmier Alain , Tzimas Evangelos , Schleicher Tobias , Schüler Doris , Buchert Matthias , Blagoeva Darina
Published: August 2016

Trends towards more energy efficient lighting and high performance display technologies have recently increased the demand for certain materials, which are considered ‘critical’ in terms of potential supply constraints. In this article, we assessed the substitution possibilities of these critical materials and analysed the impact of technological trends on their short‐term demand. Substitution of fluorescent with more advanced light‐emitting diode (LED) technology significantly decrease the demand for europium and yttrium, though, demand for gallium and indium will increase. Germanium and terbium will no longer be significantly used by the lighting sector by 2020. The next‐generation of lighting technology – organic‐LED (OLED) – is expected to eliminate the need for critical materials with the exception of indium. However, a wide adoption of OLED technology in general lighting is not expected before 2025.
Context and Implications Document for: Positive psychology school‐based interventions: a reflection on current success and future directions
Authors: Chodkiewicz Alicia R. , Boyle Christopher
Published: August 2016

This guide accompanies the following article: Chodkiewicz, A. R. & Boyle, C., Positive psychology school‐based interventions: a reflection on current success and future directions, Review of Education, DOI:10.1002/rev3.3080
Investigation of the Lithiation Mechanism of Fe3O4‐Based Composite Anode: the Effect of the Carbon Matrix
Authors: Yan Chenxing , Wu Chao , Zhuang Quanchao , Tian Leilei , Cui Yongli , Zhao Xing , Ju Zhicheng , Sun Xueliang
Published: August 2016

In this work, the Fe3O4/CNTs composite and Fe3O4/C composite were synthesized by a facile hydrothermal method without any reducing agents and pyrolysis of glucose, respectively, and the process of the first lithiation of commercial Fe3O4, Fe3O4/CNTs and Fe3O4/C electrode were systematically investigated by EIS as function of electrode potential. It is found that at intermediate degrees of intercalation, the characteristic Nyquist plots of Fe3O4 electrode are composed of three parts, namely, the small semicircle in high‐frequency region can be attributed to the migration of lithium‐ion through SEI film (the resistance of SEI film coupled with SEI film capacitance) as well as contact problems; the semicircle in the medium‐frequency region is attributed to the electronic properties of the material and the large arc in low‐frequency region is due to charge transfer step. Moreover, the changes of kinetic parameters for lithiation process of Fe3O4/CNTs composite as a function of electrode potential in the first discharge cycle was discussed in detail, and the effect of carbon matrix type on the electrochemical performance and lithiation mechanism of Fe3O4 electrode is given.
Non‐Innocent Property of Tridentate Ligand in Novel Cobalt Complex : Crystal Structure and Evidences for Cobalt(II) Phenoxyl Radical Complex Formation
Authors: Dhara Ashish Kumar , Kumar Kapil , Kumari Sheela , Singh Udai P. , Ghosh Kaushik
Published: August 2016

A phenoxyl radical complex [CoII(L)(L+)]NO3 (where LH=(E)‐2,4‐di‐tert‐butyl‐6‐((2‐phenyl‐2‐(pyridin‐2‐yl)hydrazono)methyl)phenol and H=dissociable proton) was synthesized at room temperature in aerobic condition and was characterized. Crystal structure, UV‐Vis‐NIR and 1H‐NMR spectra, magnetic properties and electrochemical studies authenticated the presence of Co(II) phenoxyl radical complex.
Unprecedented Selective Heterogeneously Catalysed “Green” Oxidation of Betulin to Biologically Active Compounds using Synthetic Air and Supported Ru Catalysts
Authors: Mäki‐Arvela Päivi , Barsukova Maria , Winberg Iris , Smeds Annika , Hemming Jarl , Eränen Kari , Torozova Alexandra , Aho Atte , Volcho Konstantin , Murzin Dmitry Yu.
Published: August 2016

Selective oxidation of betulin to biologically active betulinic aldehyde is demonstrated for the first time over Ru/C catalyst mixed with a basic hydrotalcite and using SiO2 as a dehydrating agent in synthetic air at 108 °C in toluene with conversion of 41 % in 24 h and 67 % selectivity to betulinic aldehyde, whereas without SiO2 with Ru/C the corresponding conversion and selectivity values were 20 % and 66 %, respectively. Over another, acidic Ru/C catalyst even higher conversion was achieved, giving, however, allobetulin as a main product. These results indicate that basicity and absence of water are crucial for selective botulin oxidation over Ru catalysts. The conversion levels are comparative with the results in the oxidation of hydroxymathylfurfural, which contains a hydroxymethyl group attached to the heterocyclic ring.
Potent 1,2,4‐Triazole‐3‐thione Radical Scavengers Derived from Phenolic Acids: Synthesis, Electrochemistry, and Theoretical Study
Authors: Ivanović Nevena , Jovanović Ljiljana , Marković Zoran , Marković Violeta , Joksović Milan D. , Milenković Dejan , Djurdjević Predrag T. , Ćirić Andrija , Joksović Ljubinka
Published: August 2016

Nine 1,2,4‐triazole‐3‐thiones containing phenolic acid moiety have been synthesized and examined by scavenging of stable DPPH (2,2‐diphenyl‐1‐picrylhydrazyl) radical, measurement of reducing capacity, cyclic voltammetry experiments and density functional theory (DFT). The differences in DPPH‐radical scavenging activity of the compounds 4 a‐i are affected by the stability of the corresponding radicals or radical cations and possibility of delocalization of unpaired electron through benzene and triazole ring. Significantly, lower proton affinity (PA) values than bond dissociation enthalpy (BDE) indicate SPLET (sequential proton loss electron transfer) mechanism under these experimental conditions.
Uncertainty Principle in the Elucidation of the Extraction Mechanism of Ions from Aqueous towards Ionic Liquid Phases. PtCl62− and [C1C8IM][NTf2] as a Textbook Case
Authors: Papaiconomou Nicolas , Cointeaux Laure , Chainet Eric , Iojoiu Cristina , Billard Isabelle
Published: August 2016

The extraction mechanism of Pt(IV) from aqueous HCl solutions towards the ionic liquid 1‐octyl‐3‐methylimidazolium bis(trifluoromethanesulfonyl)imide ([C1C8IM][NTf2]) is deciphered. To that end, aqueous speciation of Pt(IV) as a function of HCl was studied by 195Pt NMR. Influence of the concentration of HCl (ranging from 1 to 12 M) and of the initial concentration of Pt(IV) (ranging from 10−5 to 10−2 M) in the aqueous phase on the distribution coefficients of Pt(IV) was systematically investigated. The decrease in D with the concentrations of HCl and Pt(IV) observed is quantitatively very well described with a model using three chemical equilibria, namely the solubility of the ionic liquid in water, the extraction of PtCl62− through an ion‐pair formation and that of Cl− towards the ionic liquid phase. D values were then predicted over a wider range of concentrations for HCl and PtCl62−. Alternatively, the extraction of PtCl62− was described using an anion exchange hypothesis and it is demonstrated that these two apparently different mechanisms are actually equivalent within hydrophobic ionic liquids. Because the two versions of the extraction model presented here are not specific to PtCl62− or the ionic liquid, they can be generalized to the extraction of any charged (metal) complex and any hydrophobic ionic liquid, allowing us to outline a general uncertainty principle in the determination of extraction mechanisms in systems involving ionic liquids
Palladium Nanoparticles Supported Carbon Based Graphene Oxide Monolith as Catalyst for Sonogashira Coupling and Hydrogenation of Nitrobenzene and Alkenes
Authors: Nakhate Akhil V. , Yadav Ganapati D.
Published: August 2016

Synthesis of palladium nanoparticles supported on carbon based graphene oxide monolith (Pd@CGO monolith) is reported here. It was prepared by solvothermal carbonization of glucose with small amount of graphene oxide (GO) as structure directing agent. It provides large and flat surface for anchoring Pd nanoparticles. CGO monolith impedes Pd particles migration and increases interaction between Pd nanoparticles and support, which leads to enhanced activity. It was used in Sonogashira coupling and hydrogenation of alkenes and nitrobenzene. The activity of Pd@CGO monolith was compared with 5 % Pd@GO and 5 % Pd/C for Sonogashira coupling of phenylacetylene with iodobenzene. Pd@CGO monolith showed excellent conversion (93 %) at 90 °C with low catalyst loading (1×10−3 g/cm3) under ligand and copper free reaction conditions. Pd@CGO monolith was well characterized by different analytical techniques. The effect of solvent, base, speed of agitation, mole ratio, catalyst loading and temperature was studied using Pd@CGO monolith. Also, a reaction mechanism was proposed and kinetic model developed. The catalyst was recycled up to four times with no loss of activity. It was highly stable showing no Pd leaching.
Identification of Anticancer Drug Candidate Targeting Nuclear Receptor Retinoid X receptor‐α from Natural Products using Receptor‐Ligand Recognition
Authors: Luo Qiang , Wang Zhaokai , Chen Huibin , Fang Ms. Hui , Xie Shouqi , Qian Xueqiao , Lin Xiangzhi
Published: August 2016

Natural products (NP), especially medicinal plants, have been used worldwide to treat numerous diseases for thousands of years. However, drug discovery focus has been moving away from identifying lead compounds from complex mixtures of crude NP because this approach is technically difficult and inefficient. We here present a quick, accurate and practical method for screening leads targeting a nuclear receptor from NP mixtures. Using themethod, we rapidly identified erythrotriol as a new lead compoundfrom medicinal plant Hibiscus syriacus L.targeting RXRα for treating cancer with less side effects. This method can efficiently and profitably screen lead compounds targeting nuclear receptors and may reinvigorate interest in NP as sources of pharmaceutical agents.
Biocompatible Glutathione Capped Functionalized Carbon Dots as Nanosensors for the Detection of Silver Nanoparticles in Aqueous Solution and Human Cells as well as Bacterial Cells
Authors: Kong Lingcan , Lu Keyu , Ling Xia , Zhu Pengfei , Liu Wenwei , Guan Hongxia , Wang Chuanxi
Published: August 2016

Functional carbon materials have aroused much attention owing to their applications in cellular imaging and sensing. In this paper, we use a hydrothermal approach to prepare luminescent sodium citrate carbon dots (CDs) using glutathione (GSH) as the surface capping reagent. The effects of feed ratio, reaction temperature and reaction time on the luminescent behavior of CDs are investigated. Subsequently, as‐prepared CDs are characterized by UV‐vis, photoluminescence, X‐ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FTIR) and transmission electron microscope (TEM). The luminescent CDs exhibit good stability in the presence of various ions or photo irradiation. Furthermore, the luminescence of the CDs is reversible upon the pH cycling between pH=4 and 6. In addition, the emission intensity of CDs decreases gradually with increasing the concentration of silver nanoparticles (AgNPs) and a linear relationship between the logarithm of emission intensity and the concentration of AgNPs is observed within the investigated concentration ranging from 0 to 40 μmol•L−1. The detection limit is 0.9 μmol•L−1 in terms of signal‐to‐noise ratio of 3. More importantly, the sensor can be successfully applied to the detection of AgNPs in real lake water, urine of human, Hep‐2 cells, E. Coli and Salmonella bacteria, which offers a promising platform for environmental and biological sensing applications.
Complex Metal–Organic Frameworks from Symmetrically Backfolded Dendrimers
Authors: Yang Chen , Wong Yan‐Lung , Xiao Ran , Zeller Matthias , Hunter Allen D. , Yiu Shek‐Man , Xu Zhengtao
Published: August 2016

We study symmetrically backfolded building blocks (Sierpinski dendrimers) that generate metal‐organic frameworks featuring graphitic ribbons, free‐standing carboxylic functions and intricate topologies in clear correspondence with molecular structures. Unlike the starburst shape of traditional dendrimers, the Sierpinski dendrimer features side branches bent away (e. g., by 120°) from the outward direction of the main branch. This paper reports a systematic attempt to correlate the backfolded shape with the connectivity (topology) of the resultant network. Our discovery is surprisingly simple: as building blocks for extended nets, the backfolded Sierpinski dendrimer behaves as a collection of subsidiary building units of the conventional starburst shape (e. g., the regular tritopic unit); and the resultant networks can be deconstructed into subnets corresponding to the star‐shaped subunits of the molecule. These seemingly exotic and highly branched molecules are not only compatible with the purpose of network construction, but also present fundamentally new features that open new horizons for molecular design.
Energetic Materials ‐ Nitrated Phenyl Peroxy Anhydrides as Peroxide Based Explosives with Relatively High Densities and Thermal Stabilities
Authors: Klapötke Thomas M. , Stiasny Benedikt , Stierstorfer Jörg
Published: August 2016

Nine different nitrated phenyl peroxy anhydrides were synthesized using two different strategies and crystal structures of two compounds were determined. Sensitivities of the compounds toward impact, friction and electrostatic discharge were measured and the thermal stability was determined. Some of the compounds are remarkable insensitive and they show relatively high thermal decomposition points for organic peroxides. Detonation parameters and performance data were calculated using the EXPLO5 program yielding performance values in the range of trinitrotoluene (TNT).
The relationship between resistant starch and glycemic control: A review on current evidence and possible mechanisms
Authors: Wong Tommy Hon Ting , Louie Jimmy Chun Yu
Published: August 2016

Good glycemic control, which is vital for patients with type 2 diabetes, can be achieved via dietary intervention. Resistant starch (RS) is a type of carbohydrate that largely resists digestion in the small intestine. Instead, it is fermented by the gut microbiota that resides in the large intestine into short‐chain fatty acids (SCFAs), which are found to have beneficial effects on human glucose metabolism. Here, an overview is provided of the classification of different types of RS, as well as the fermentation process of RS by the gut microbiota. The effects of RS consumption that contribute to glycemic control are then discussed with reference to animal and human studies. Although beneficial effects of RS consumption have been observed, results from animal and human studies are inconclusive regarding the mechanisms behind them. Additional research effort is necessary in order to have a better understanding of the effects of habitual RS consumption on glycemic control.