bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Copper‐Catalyzed Cascade Azidation—Cyclization of Tryptophols and Tryptamines.
Authors: Zhang Panpan , Sun Wangsheng , Li Guofeng , Hong Liang , Wang Rui
Published: November 2015

furnishing 3‐azidofuroindolines (II) or ‐pyrrolidinoindolines (IV), respectively
ChemInform Abstract: Nicotine‐Derived Ammonium Salts as Highly Efficient Catalysts for Chemical Fixation of Carbon Dioxide into Cyclic Carbonates under Solvent‐Free Conditions.
Authors: Hajipour Abdol R. , Heidari Yasaman , Kozehgary Gholamreza
Published: November 2015

A newly prepared nicotine‐derived ammonium salt is applied for the first time as a recyclable and efficient catalyst for the coupling of carbon dioxide and epoxides to form cyclic carbonates at low pressure without using additional organic solvents.
ChemInform Abstract: Conditions for Palladium‐Catalyzed Direct Arylations of 4‐Bromo and 4‐Iodo N‐Substituted Pyrazoles Without C—Br or C—I Bond Cleavage.
Authors: Brahim Mariem , Smari Imen , Ben Ammar Hamed , Ben Hassine Bechir , Soule Jean‐Francois , Doucet Henri
Published: November 2015

Halosubstituted N‐protected pyrazole derivatives are regioselectively arylated at the C‐5 position.
ChemInform Abstract: On‐Water, Catalyst‐Free and Room‐Temperature Construction of 2‐Aryl‐1,3,4‐oxadiazole Derivatives from 1,1‐Dichloro‐2‐nitroethene and Hydrazides.
Authors: Zhu Fengjuan , Zou Minming , Shao Xusheng , Li Zhong
Published: November 2015

Acetyl and nicotinyl hydrazides as well as phthalohydrazide do not yield the desired oxadiazole derivatives.
ChemInform Abstract: Visible‐Light‐Driven Intermolecular [2 + 2] Cycloadditions Between Coumarin‐3‐Carboxylates and Acrylamide Analogues.
Authors: Liu Qiang , Zhu Fu‐Ping , Jin Xiao‐Ling , Wang Xiao‐Ju , Chen Han , Wu Li‐Zhu
Published: November 2015

Optimized conditions are elaborated which lead to formation of diastereomeric mixtures of cyclobutabenzopyranone structures and quinolone analogues such as (XIIc,d)/(XIIIc,d).
ChemInform Abstract: Three‐Component C1 Alkynylation of Tetrahydroisoquinolines Catalyzed by Silver Acetate.
Authors: Shao Guang , He Yanjian , Xu Ying , Chen Jian , Yu Huijuan , Cao Rihui
Published: November 2015

The title reaction under conditions A) is highly regioselective.
ChemInform Abstract: Rh(III)‐Catalyzed 7‐Azaindole Synthesis via C—H Activation/Annulative Coupling of Aminopyridines with Alkynes.
Authors: Kim Yechan , Hong Sungwoo
Published: November 2015

The Rh(III)‐catalyzed C—H activation/annulative coupling of aminopyridines (I) with unsymmetrical alkynes proceeds in most cases regioselectively to afford 7‐azaindoles (III) and (VII).
ChemInform Abstract: Synthesis of Previously Inaccessible Borylated Heterocycle Motifs Using Novel Boron‐Containing Amphoteric Molecules.
Authors: Trinchera Piera , Corless Victoria B. , Yudin Andrei K.
Published: November 2015

α‐Alkylation of boryl aldehyde (II) with α‐bromoketones provides the first examples of boron‐containing 1,4‐dicarbonyl compounds (III) which undergo double condensation reactions in the presence of nucleophiles to form borylated pyrroles, furans and pyridazines.
ChemInform Abstract: Rhodium‐Catalyzed ortho‐Selective C—F Bond Borylation of Polyfluoroarenes with Bpin—Bpin.
Authors: Guo Wen‐Hao , Min Qiao‐Qiao , Gu Ji‐Wei , Zhang Xingang
Published: November 2015

The operationally simple and mild method allows for the ortho‐selective borylation of a wide range of pyridine substituted polyfluoroarenes.
ChemInform Abstract: Construction of a Chiral Silicon Center by Rhodium‐Catalyzed Enantioselective Intramolecular Hydrosilylation
Authors: Naganawa Yuki , Namba Tomoya , Kawagishi Mayu , Nishiyama Hisao
Published: November 2015

10 examples
ChemInform Abstract: Regiodivergent and Stereoselective Hydrosilylation of 1,3‐Disubstituted Allenes.
Authors: Miller Zachary D. , Dorel Ruth , Montgomery John
Published: November 2015

Hydrosilylation of symmetrical allenes under Pd‐catalyzed conditions provides (E)‐allylsilanes whereas Ni‐catalysis gives (Z)‐alkenylsilanes predominantly.
ChemInform Abstract: Phosphate Tether‐Mediated Ring‐Closing Metathesis for the Generation of Medium to Large, P‐Stereogenic Bicyclo[n.3.1]phosphates.
Authors: Maitra Soma , Markley Jana L. , Chegondi Rambabu , Hanson Paul R.
Published: November 2015

Triene (III) prepared by coupling of the (S)‐alcohol (I) with phosphate (II) undergoes ring‐closing metathesis to produce the bicyclic phosphate (IV) having a conformationally fixed P‐stereogenic center.
ChemInform Abstract: Penioxalicin, a Novel 3‐Nor‐2,3‐seco‐labdane Type Diterpene from the Fungus Penicillium oxalicum TW01‐1.
Authors: Bian Xiqing , Bai Jiao , Hu Xiaolan , Wu Xin , Xue Chunmei , Han Aihong , Su Guangyue , Hua Huiming , Pei Yuehu
Published: November 2015

Penioxalicin (I) shows moderate cytotoxicity against HL‐60 cell line.
ChemInform Abstract: Eringiacetal A, 5,6‐seco‐(5S,6R,7R,9S)‐5,6:5,7:6,9‐Triepoxyergosta‐8 (14),22‐diene‐3β,7β‐diol, an Unusual Ergostane Sterol from the Fruiting Bodies of Pleurotus eryngii.
Authors: Kikuchi Takashi , Masumoto Yuki , In Yasuko , Tomoo Koji , Yamada Takeshi , Tanaka Reiko
Published: November 2015

The title compound is obtained as colorless crystals.
ChemInform Abstract: Benzylated and Prenylated Flavonoids from the Root Barks of Cudrania tricuspidata with Pancreatic Lipase Inhibitory Activity.
Authors: Jo Yang Hee , Kim Seon Beom , Liu Qing , Lee Jin Woo , Hwang Bang Yeon , Lee Mi Kyeong
Published: November 2015

The new benzylated and prenylated flavone, cudracuspiflavanone A (I) is isolated from the title species along with sixteen known chromenes and flavonoids.
ChemInform Abstract: Total Synthesis of the Novel Benzophenone NP‐011694.
Authors: Noncovich Alain , Ung Jane , Patron Andrew
Published: November 2015

A convergent synthesis of the human sweet receptors NP‐011694, a previously unreported fungal fermentation product, is described.
ChemInform Abstract: Design of Lewis‐Acid Centers in Zeolitic Matrices for the Conversion of Renewables
Authors: Dapsens Pierre Y. , Mondelli Cecilia , Perez‐Ramirez Javier
Published: November 2015

Review: 172 refs.
ChemInform Abstract: The ADOR Mechanism for the Synthesis of New Zeolites
Authors: Eliasova Pavla , Opanasenko Maksym , Wheatley Paul S. , Shamzhy Mariya , Mazur Michal , Nachtigall Petr , Roth Wieslaw J. , Morris Russell E. , Cejka Jiri
Published: November 2015

Review: ADOR: Assembly‐Disassembly‐Organization‐Reassembly; 206 refs.
ChemInform Abstract: Frustration under Pressure: Exotic Magnetism in New Pyrochlore Oxides
Authors: Wiebe C. R. , Hallas A. M.
Published: November 2015

Review: 75 refs.
ChemInform Abstract: Understanding the Structure of Nanocatalysts with High Resolution Scanning/Transmission Electron Microscopy
Authors: Francis L. D. , Rivas J. , Jose‐Yacaman M.
Published: November 2015

Review: 14 refs.
ChemInform Abstract: The Role of the Bis‐trimethylsilylamido Ligand, [N{SiMe3}2]‐, in Main Group Chemistry. Part 2. Structural Chemistry of the Metallic P‐Block Elements
Authors: Coles Martyn P.
Published: November 2015

Review: 160 refs.
ChemInform Abstract: Highlights in Low‐coordinate Group 14 Organometallic Chemistry
Authors: Day Benjamin M. , Layfield Richard A.
Published: November 2015

Review: 47 refs.
ChemInform Abstract: Coordination Chemistry of Ditopic Carbanionic N‐Heterocyclic Carbenes
Authors: Waters Jordan B. , Goicoechea Jose M.
Published: November 2015

Review: 132 refs.
ChemInform Abstract: Photophysical Properties and Applications of Coordination Complexes Incorporating Pyrene
Authors: Howarth Ashlee J. , Majewski Marek B. , Wolf Michael O.
Published: November 2015

Review: 94 refs.
ChemInform Abstract: Supramolecular Polymers Constructed Through Self‐Sorting Host—Guest Interactions
Authors: Wang Xu‐Qing , Wang Wei , Wang Yu‐Xuan , Yang Hai‐Bo
Published: November 2015

Review: [32 refs.
ChemInform Abstract: Production of Chiral Compounds Using Immobilized Cells as a Source of Biocatalysts
Authors: Kisukuri Camila M. , Andrade Leandro H.
Published: November 2015

Review: [84 refs.
ChemInform Abstract: Recent Progress in the in situ Detrifluoroacetylative Generation of Fluoro Enolates and Their Reactions with Electrophiles
Authors: Mei Haibo , Xie Chen , Acena Jose Luis , Soloshonok Vadim A. , Roeschenthaler Gerd‐Volker , Han Jianlin
Published: November 2015

Review: [52 refs.
ChemInform Abstract: Carbon—Carbon Bond Activation with 8‐Acylquinolines
Authors: Dreis Ashley M. , Douglas Christopher J.
Published: November 2015

Review: 46 refs.
ChemInform Abstract: Molecular Chirality: Language, History, and Significance
Authors: Gal Joseph
Published: November 2015

Review: 60 refs.
ChemInform Abstract: 1,3,5‐Triphosphabenzenes: Synthesis, Reactivity and Theory
Authors: Falconer Rosalyn L. , Russell Christopher A.
Published: November 2015

Review: 54 refs.
ChemInform Abstract: Chiral Configurations in Cyclophosphazene Chemistry
Authors: Uslu Aylin , Yesilot Serkan
Published: November 2015

Review: 250 refs.
ChemInform Abstract: Palladium Catalyzed Asymmetric Suzuki—Miyaura Coupling Reactions to Axially Chiral Biaryl Compounds: Chiral Ligands and Recent Advances
Authors: Zhang Dao , Wang Quanrui
Published: November 2015

Review: 69 refs.
ChemInform Abstract: Efficient Deoxygenation Methodologies Catalyzed by Oxo‐Molybdenum and Oxo‐Rhenium Complexes
Authors: Sousa Sara C. A. , Fernandes Ana C.
Published: November 2015

Review: 80 refs.
ChemInform Abstract: Spin and Orbital Magnetism in Free Nanoparticles: Size, Composition, and Temperature Effects
Authors: Dorantes‐Davila J. , Pastor G. M.
Published: November 2015

Review: 141 refs.
ChemInform Abstract: Halogenase Engineering for the Generation of New Natural Product Analogues
Authors: Brown Stephanie , O'Connor Sarah E.
Published: November 2015

Review: [32 refs.
ChemInform Abstract: Zeolite Membranes — A Review and Comparison with MOFs
Authors: Rangnekar N. , Mittal N. , Elyassi B. , Caro J. , Tsapatsis M.
Published: November 2015

Review: emphasis on synthesis techniques, industrial applications, hydrothermal stability, and polymer‐supported and mixed matrix membranes; 373 refs.
ChemInform Abstract: Boron—Nitrogen Doped Carbon Scaffolding: Organic Chemistry, Self‐Assembly and Materials Applications of Borazine and Its Derivatives
Authors: Bonifazi Davide , Fasano Francesco , Lorenzo‐Garcia M. Mercedes , Marinelli Davide , Oubaha Hamid , Tasseroul Jonathan
Published: November 2015

Review: [92 refs.
ChemInform Abstract: Fluid Catalytic Cracking: Recent Developments on the Grand Old Lady of Zeolite Catalysis
Authors: Vogt E. T. C. , Weckhuysen B. M.
Published: November 2015

Review: 183 refs.
ChemInform Abstract: Technology of Synthetic Oil Production from Heavy Oil Stock and Solid Fuels
Authors: Gulyaeva L. A. , Khavkin V. A. , Shmel'kova O. I. , Vinogradova N. Ya.
Published: November 2015

Review: 34 refs.
Hierarchical Nitrogen‐Doped Graphene/Carbon Nanotube Composite Cathode for Lithium–Oxygen Batteries
Authors: Shu Chaozhu , Li Bo , Zhang Bingsen , Su Dangsheng
Published: November 2015

The lithium–oxygen (Li–O2) battery is a very appealing candidate for advanced high energy applications owing to its exceptionally high specific energy. However, its poor energy efficiency, rate capability, and cyclability remain key barriers to its practical application. In this work, using a rationally designed cathode based on a bimodal mesoporous nitrogen‐doped graphene/carbon nanotube (NGC) composite, we have developed a Li–O2 battery demonstrating enhanced round‐trip efficiency (ca. 85 %) and excellent cyclability over 400 cycles under a high current rate of 500 mA g−1. The excellent cyclability and rate capability are attributed to improved stability of the aggressive LiO2 intermediate on the nitrogen‐doped carbon surface in addition to the favorable hierarchical architecture of NGC. These results demonstrate a valuable research direction to achieve highly stable and reversible Li–O2 batteries through tuning the surface chemistry of the cathode in addition to finding a stable electrolyte solvent.
Multicast routing based on data envelopment analysis with multiple Quality of Service parameters
Authors: Raayatpanah Mohammad Ali
Published: November 2015

The requirement for real‐time multimedia communications raises challenges for constructing multicast trees with multiple Quality of Service (QoS) parameters, for example, bandwidth, delay, delay jitter, error rates, and so on. In this paper, we present a new method for establishing multicast trees with multiple QoS parameters based on data envelopment analysis techniques. We first apply data envelopment analysis techniques for evaluating the relative efficiency of arcs in the presence of QoS parameters. Then, an integer linear programming model based on the relative efficiency of arcs is proposed to obtain multicast trees for transmitting data from a source to each destination. The proposed approach is illustrated and evaluated through numerical examples. Copyright © 2015 John Wiley & Sons, Ltd.
Neurotrophin‐dependent plasticity of neurotransmitter segregation in the rat superior cervical ganglion in vivo
Authors: Vega A. , Cancino‐Rodezno A. , Valle‐Leija P. , Sánchez‐Tafolla B.M. , Elinos D. , Cifuentes F. , Morales M.A.
Published: November 2015

Neurons are able to segregate transmitters to different axon endings. Segregation is a plastic neuronal feature; it can be modulated by synaptic environment. We have demonstrated that neurotrophin and other cellular factors regulate segregation in sympathetic neurons in culture. Herein we tested the hypothesis that sympathetic neurons in vivo are also capable to exhibit neurotrophin‐dependent plasticity of segregation. To explore the effect of neurotrophin on segregation, we reduced ganglionic NGF content by the transection of postganglionic nerves (axotomy) of the superior cervical ganglia. By immunohistochemistry, Western blot, and PCR analyses, we explored the effect of axotomy on the NGF and BDNF content of ganglionic neurons, and on the segregation extent of vesicular acetylcholine transporter (VAChT) and methionine enkephalin (mENK) in pre‐ganglionic varicosities. We analyzed NGF‐dependence of the changes found by applying exogenous NGF. Axotomy reduced ganglionic NGF and BDNF content, increased NGF transcripts, and increased VAChT‐mENK segregation. Axotomy also increased the number of VAChT immunopositive varicosities, and caused the appearance of a population of VAChT‐, mENK‐ or SV2‐containing varicosities lacking Synaptophysin (Syn). Administration of NGF prevented changes in NGF content, kept NGF transcripts increased, and counteracted changes in segregation and in the number of cholinergic varicosities. The exogenous NGF did not preclude change in BDNF content or in the occurrence of the VAChT‐ or mENK‐containing varicosities lacking Syn. Data demonstrate that segregation of transmitters in vivo is plastic and it is modulated by environmental signals like NGF. We propose a possible functional correlate of segregation plasticity in the sympathetic ganglia. © 2015 Wiley Periodicals, Inc. Develop Neurobiol 76: 832–846, 2016
From species to communities: the signature of recreational use on a tropical river ecosystem
Authors: Deacon Amy E. , Shimadzu Hideyasu , Dornelas Maria , Ramnarine Indar W. , Magurran Anne E.
Published: November 2015

Disturbance can impact natural communities in multiple ways. However, there has been a tendency to focus on single indicators of change when examining the effects of disturbance. This is problematic as classical diversity measures, such as Shannon and Simpson indices, do not always detect the effects of disturbance. Here, we instead take a multilevel, hierarchical approach, looking for signatures of disturbance in the capacity and diversity of the community, and also in allocation and demography at the population level. Using recreational use as an example of disturbance, and the freshwater streams of Trinidad as a model ecosystem, we repeatedly sampled the fish communities and physical parameters of eight pairs of recreational and nonrecreational sites every 3 months over a 28‐month period. We also chose the Trinidadian guppy (Poecilia reticulata) as the subject of our population‐level analyses. Regression tree analysis, together with analysis of deviance, revealed that community capacity and community species richness were greater at sites with higher levels of recreational use. Interestingly, measures of community diversity that took into account the proportional abundance of each species were not significantly associated with recreational use. Neither did we find any direct association between recreational use and proportion of guppy biomass in the community. However, population‐level differences were detected in the guppy: Sex ratio was significantly more female‐biased at more disturbed sites. Our findings emphasize the importance of considering multiple levels when asking how disturbance impacts a community. We advocate the use of a multilevel approach when monitoring the effects of disturbance, and highlight gaps in our knowledge when it comes to interpreting these effects.
The Discrete AlF52– Fluoroaluminate Anion in the Structure of [Tetraethylammonium]2[AlF5](H2O)2
Authors: Veryasov Gleb , Matsumoto Kazuhiko , Hagiwara Rika
Published: November 2015

Invited for the cover of this issue are Gleb Veryasov, Kazuhiko Matsumoto, and Rika Hagiwara from Kyoto University, Japan. The cover image shows the discrete fluoroaluminate anion, AlF52− over the history of fluoroaluminate anions. The determination of the crystal structure of AlF52− has completed the discussion on the ligand close packing model of the geometry of fluorides of third period elements (Si, P, and Al).
Silicon Asymmetric Membranes for Efficient Lithium Storage: A Scalable Method
Authors: Wu Ji , Chen Hao , Padgett Clifford
Published: November 2015

In this study, scalable membrane technologies are adapted to obtain silicon asymmetric membranes for lithium‐ion battery anodes. The unique asymmetric porous structure can provide both mechanical support and free volume to accommodate the large volume expansion during silicon lithiation, thus leading to excellent rate and cycling performance. An overall specific capacity as high as 1500 mAh g−1was achieved at 100 mA g−1. Even at 1000 mA g−1, the capacity was still above 800 mAh g−1. More than 90 % of the initial capacity was retained after 200 cycles. It was also observed that a lower Si content and higher carbonization temperature can help achieve stable cycling performance in general. This report is significant in terms of demonstrating a simplistic, generic, and scalable method to create a robust, porous asymmetric membrane structure for efficient lithium‐ion storage.
Evaluating the extent of pharmaceuticals in surface waters of the United States using a National-scale Rivers and Streams Assessment survey
Authors: Batt Angela L. , Kincaid Thomas M. , Kostich Mitchell S. , Lazorchak James M. , Olsen Anthony R.
Published: November 2015

To assess the potential exposure of aquatic ecosystems to active pharmaceutical ingredients, the authors conducted a national-scale, probability-based statistical survey of the occurrence of these compounds in surface waters of the United States. The survey included 182 sampling sites and targeted rivers with close proximity to urban areas. The 46 analytes reported represent many classes of active pharmaceutical ingredients (APIs), including antibiotics, diuretics, antihypertensives, anticonvulsants, and antidepressants. Of the 46 analytes, 37 were detected in at least 1 sampling location. Sulfamethoxazole (an antibiotic) was the most frequently detected compound, being measured in 141 of the 182 surface waters surveyed at concentrations ranging up to 570 ng/L. Ten of the compounds were detected in 20% or more of the sampling sites. Weighted means of the analytical measurements are used with the statistical survey design and analysis to provide national estimates of the extent of contamination for these APIs in the nation's urban rivers. Environ Toxicol Chem 2016;35:874–881. Published 2015 Wiley Periodicals, Inc. on behalf of SETAC. This article is a US Government work and as such, is in the public domain in the United States of America.
Mesh adaptation for large‐eddy simulations in complex geometries
Authors: Benard Pierre , Balarac Guillaume , Moureau Vincent , Dobrzynski Cecile , Lartigue Ghislain , D'Angelo Yves
Published: November 2015

Large‐eddy simulation (LES) consists in explicitly simulating the large scales of the fluid motion and in modeling the influence of the smallest scales. Thanks to the steady growth of computational resources, LES can now be used to simulate realistic systems with complex geometries. However, when LES is used in such complex geometries, an adequate mesh has to be determined to perform valid LES. In this work, a strategy is proposed to assess the quality of a given mesh and to adapt it locally. Two different criteria are used as mesh adaptation criteria. The first criterion is defined to ensure a correct discretization of the mean field, whereas the second criterion is defined to ensure enough explicit resolution of turbulent scales motions. The use of both criteria is shown in canonical flow cases. As a second part of this work, a numerical strategy for mesh adaptation in high‐performance computing context is proposed by coupling the flow solver, YALES2, and the remeshing library, MMG3D, for massively parallel computations. This coupling enables an efficient and parallel remeshing of grids alleviating any memory or performance issues encountered in sequential tools. This strategy is finally applied to the simulation of the isothermal flow in a complex meso‐combustor to demonstrate the applicability of the adaptation methodology to complex turbulent flows. Copyright © 2015 John Wiley & Sons, Ltd.
Knowledge translation regarding financial abuse and dementia for the banking sector: the development and testing of an education tool
Authors: Peisah Carmelle , Bhatia Sangita , Macnab Jenna , Brodaty Henry
Published: November 2015

Objective

Financial abuse is the most common form of elder abuse. Capacity Australia, established to promote education regarding capacity and abuse prevention across health, legal and financial sectors, was awarded a grant by the Dementia Collaborative Research Centre to educate the banking sector on financial abuse and dementia. We aimed to develop a knowledge translation tool for bank staff on this issue.

Methods

The banking sector across Australia was engaged and consulted to develop a tailored education tool based on Australian Banking Association's Guidelines on Financial Abuse Prevention, supplemented by information related to dementia, financial capacity and supported decision‐making. The tool was tested on 69 banking staff across Australia from two major banks.

Results

An online education tool using adaptive learning was developed, comprising a pretest of 15 multiple choice questions, followed by a learning module tailored to the individual's performance on the pretest, and a post‐test to assess knowledge translation. A significant increase in scores was demonstrated when baseline scores were compared with post‐course scores (mean difference in scores = 3.5; SD = 1.94; t = 15.1; df = 68; p < 0.001). The tool took approximately 10–20 min to complete depending on the knowledge of participant and continuity of completion.

Conclusions

The Australian banking industry was amenable to assist in the development of a tailored education tool on dementia, abuse and financial capacity. This online e‐tool provides an effective medium for knowledge translation. Copyright © 2015 John Wiley & Sons, Ltd.
Depressive symptoms are associated with daytime sleepiness and subjective sleep quality in dementia with Lewy bodies
Authors: Elder Greg J. , Colloby Sean J. , Lett Debra J. , O'Brien John T. , Anderson Kirstie N. , Burn David J. , McKeith Ian G. , Taylor John‐Paul
Published: November 2015

Objective

Sleep problems and depression are common symptoms in dementia with Lewy bodies (DLB), where patients typically experience subjectively poor sleep quality, fatigue and excessive daytime sleepiness. However, whilst sleep disturbances have been linked to depression, this relationship has not received much attention in DLB. The present cross‐sectional study addresses this by examining whether depressive symptoms are specifically associated with subjective sleep quality and daytime sleepiness in DLB, and by examining other contributory factors.

Methods

DLB patients (n = 32) completed the Pittsburgh Sleep Quality Index (PSQI), Epworth Sleepiness Scale (ESS) and the 15‐item Geriatric Depression Scale (GDS‐15). Motor and cognitive functioning was also assessed. Pearson correlations were used to assess the relationship between GDS‐15, ESS and PSQI scores.

Results

GDS‐15 scores were positively associated with both ESS (r = 0.51, p < 0.01) and PSQI (r = 0.59, p < 0.001) scores.

Conclusions

Subjective poor sleep and daytime sleepiness were associated with depressive symptoms in DLB. Given the cross‐sectional nature of the present study, the directionality of this relationship cannot be determined, although this association did not appear to be mediated by sleep quality or daytime sleepiness. Nevertheless, these findings have clinical relevance; daytime sleepiness or poor sleep quality might indicate depression in DLB, and subsequent work should examine whether the treatment of depression can reduce excessive daytime sleepiness and improve sleep quality in DLB patients. Alternatively, more rigorous screening for sleep problems in DLB might assist the treatment of depression. © 2015 The Authors. International Journal of Geriatric Psychiatry published by John Wiley & Sons, Ltd.
Impact of screening mammography on breast cancer mortality
Authors: Bleyer Archie , Baines Cornelia , Miller Anthony B.
Published: November 2015

The degree to which observed reductions in breast cancer mortality is attributable to screening mammography has become increasingly controversial. We examined this issue with three fundamentally different approaches: (i) Chronology—the temporal relationship of the onset of breast cancer mortality decline and the national implementation of screening mammography; (ii) Magnitude—the degree to which breast cancer mortality declined relative to the amount (penetration) of screening mammography; (iii) Analogy—the pattern of mortality rate reductions of other cancers for which population screening is not conducted. Chronology and magnitude were assessed with data from Europe and North America, with three methods applied to magnitude. A comparison of eight countries in Europe and North America does not demonstrate a correlation between the penetration of national screening and either the chronology or magnitude of national breast cancer mortality reduction. In the United States, the magnitude of the mortality decline is greater in the unscreened, younger women than in the screened population and regional variation in the rate of breast cancer mortality reduction is not correlated with screening penetrance, either as self‐reported or by the magnitude of screening‐induced increase in early‐stage disease. Analogy analysis of United States data identifies 14 other cancers with a similar distinct onset of mortality reduction for which screening is not performed. These five lines of evidence from three different approaches and additional observations discussed do not support the hypothesis that mammography screening is a primary reason for the breast cancer mortality reduction in Europe and North America.
On the Importance of Sectoral and Regional Shocks for Price‐Setting
Authors: Beck Guenter W. , Hubrich Kirstin , Marcellino Massimiliano
Published: November 2015

We use novel disaggregate sectoral‐regional euro‐area data to investigate the sources of price changes, introducing a new method to extract factors from overlapping data blocks that allows for estimation of aggregate, sectoral, country‐specific and regional components of price changes. Our sectoral component explains much less variation in disaggregate inflation rates and exhibits much less volatility and more persistence than previous findings for the US indicate. Country‐ and region‐specific factors play an important role, emphasizing heterogeneity of inflation dynamics along both sectoral and geographical dimensions. Our results are incompatible with basic sticky‐information or Calvo‐type price‐setting models, but require multi‐sector, multi‐country models. Copyright © 2015 John Wiley & Sons, Ltd.
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
Authors: Aquilante Francesco , Autschbach Jochen , Carlson Rebecca K. , Chibotaru Liviu F. , Delcey Mickaël G. , De Vico Luca , Fdez. Galván Ignacio , Ferré Nicolas , Frutos Luis Manuel , Gagliardi Laura , Garavelli Marco , Giussani Angelo , Hoyer Chad E. , Li Manni Giovanni , Lischka Hans , Ma Dongxia , Malmqvist Per Åke , Müller Thomas , Nenov Artur , Olivucci Massimo , Pedersen Thomas Bondo , Peng Daoling , Plasser Felix , Pritchard Ben , Reiher Markus , Rivalta Ivan , Schapiro Igor , Segarra‐Martí Javier , Stenrup Michael , Truhlar Donald G. , Ungur Liviu , Valentini Alessio , Vancoillie Steven , Veryazov Valera , Vysotskiy Victor P. , Weingart Oliver , Zapata Felipe , Lindh Roland
Published: November 2015

In this report, we summarize and describe the recent unique updates and additions to the Molcas quantum chemistry program suite as contained in release version 8. These updates include natural and spin orbitals for studies of magnetic properties, local and linear scaling methods for the Douglas–Kroll–Hess transformation, the generalized active space concept in MCSCF methods, a combination of multiconfigurational wave functions with density functional theory in the MC‐PDFT method, additional methods for computation of magnetic properties, methods for diabatization, analytical gradients of state average complete active space SCF in association with density fitting, methods for constrained fragment optimization, large‐scale parallel multireference configuration interaction including analytic gradients via the interface to the Columbus package, and approximations of the CASPT2 method to be used for computations of large systems. In addition, the report includes the description of a computational machinery for nonlinear optical spectroscopy through an interface to the QM/MM package Cobramm. Further, a module to run molecular dynamics simulations is added, two surface hopping algorithms are included to enable nonadiabatic calculations, and the DQ method for diabatization is added. Finally, we report on the subject of improvements with respects to alternative file options and parallelization. © 2015 Wiley Periodicals, Inc.
Free energies of solvation in the context of protein folding: Implications for implicit and explicit solvent models
Authors: Cumberworth Alexander , Bui Jennifer M. , Gsponer Jörg
Published: November 2015

Implicit solvent models for biomolecular simulations have been developed to use in place of more expensive explicit models; however, these models make many assumptions and approximations that are likely to affect accuracy. Here, the changes in free energies of solvation upon folding
of several fast folding proteins are calculated from previously run μs–ms simulations with a number of implicit solvent models and compared to the values needed to be consistent with the explicit solvent model used in the simulations. In the majority of cases, there is a significant and substantial difference between the
values calculated from the two approaches that is robust to the details of the calculations. These differences could only be remedied by selecting values for the model parameters—the internal dielectric constant for the polar term and the surface tension coefficient for the nonpolar term—that were system‐specific or physically unrealistic. We discuss the potential implications of our findings for both implicit and explicit solvent simulations. © 2015 Wiley Periodicals, Inc.
Women's and children's acceptance of biofortified quality protein maize for complementary feeding in rural Ethiopia
Authors: Gunaratna Nilupa S , Bosha Tafese , Belayneh Demissie , Fekadu Tigist , De Groote Hugo
Published: November 2015

BACKGROUND

For impact of nutritionally improved biofortified crops, consumer acceptance specifically by women and children is necessary when the target beneficiaries are young children. The objective was to assess women's and children's acceptance of a biofortified crop, quality protein maize (QPM), for complementary feeding in rural Ethiopia.

RESULTS

Randomly sampled mothers (n = 61) of young children (6–24 months) evaluated flours from a QPM and a conventional maize variety for five sensory characteristics and overall acceptance by mother and child in a home use test with a double‐blind, randomized controlled cross‐over design. Women distinguished the varieties when used to prepare porridge, and QPM scored more favorably for texture in hand and mouth (both P < 0.05). The varieties did not differ in overall acceptance, which was, however, affected by order of presentation, mothers' number of children, and enumerators who collected data (all P < 0.05). Aroma and taste were key in mothers' acceptance, and appearance was further important for children. Women were more than twice as likely to prefer QPM over conventional maize.

CONCLUSION

Consumer acceptance is unlikely to impede uptake and impact of QPM on young children's nutritional status. Home use testing proved feasible for assessing acceptance in rural areas with food insecurity and limited education. © 2015 Society of Chemical Industry
q‐Voronovskaya type theorems for q‐Baskakov operators
Authors: Ulusoy Gulsum , Acar Tuncer
Published: November 2015

In the present paper, we prove quantitative q‐Voronovskaya type theorems for q‐Baskakov operators in terms of weighted modulus of continuity. We also present a new form of Voronovskaya theorem, that is, q‐Grüss‐Voronovskaya type theorem for q‐Baskakov operators in quantitative mean. Hence, we describe the rate of convergence and upper bound for the error of approximation, simultaneously. Our results are valid for the subspace of continuous functions although classical ones is valid for differentiable functions. Copyright © 2015 John Wiley & Sons, Ltd.
Build a better team by engaging creative strengths
Authors: Sutton Halley
Published: November 2015

CHICAGO — When you're an adult program director, you constantly work on projects with teams. Without the proper understanding of the different creative styles your team members possess, you cannot tap the full potential of your team or manage the complicated dynamics that come from many different types of creative styles. In a session led by June Hanley during the annual convention for the Society for College and University Planning, participants were led through an exercise based on The Five Faces of Genius by Annette Moser‐Wellman and given instructions on how to create a well‐rounded team that takes advantage of different creative styles. Hanley outlined the following five types of creativity:
An anticipatory approach to quantify energetics of recycling CdTe photovoltaic systems
Authors: Ravikumar Dwarakanath , Sinha Parikhit , Seager Thomas P. , Fraser Matthew P.
Published: November 2015

Rapid growth in worldwide photovoltaic (PV) systems will soon result in a massive installed base of modules, electrical systems (ES), and balance of systems (BOS) that are expected to reach their end of life after two or three decades of operation. While existing recycling technologies will likely be available for steel, copper, aluminum, and other commodity materials found in the ES and BOS, these have yet to be accounted for in studies that assess the environmental impacts of PV recycling. More problematic is the lack of research identifying strategies to improve recovery of semiconductor and other module materials and develop recycling infrastructure to minimize energy required to transport these materials. The current leader in photovoltaics recycling is First Solar, which operates facilities for processing prompt scrap, breakage, and any end‐of‐life CdTe PV modules. This paper presents a comprehensive energy assessment of recycling the entire CdTe PV system based on First Solar's processes and identifies hotspots that present opportunities to improve the energy balance of future recycling operations. The energy savings derived from recycling a CdTe PV system reduces the lifecycle energy footprint by approximately 24% of the energy required to manufacture the PV system. By contrast, recycling just the CdTe PV module without the BOS has an approximately neutral net energy impact, recovering 13.2 kg of glass, 0.007 kg of Cd, and 0.008 kg of Te per m2. Hotspot analysis shows that reducing the energy required to recover unrefined semiconductor material from the module and ensuring high recovery of steel and glass from the end‐of‐life CdTe PV system will have the greatest impact on the energy benefits of recycling. Also, transportation energy depends on the energy tradeoff between (i) material recovery and recycling operations at the decentralized location, and (ii) transporting, recovering, and recycling the PV system components at a centralized location. An optimal strategy (centralized versus decentralized) is presented to minimize the net energy footprint when distance to the centralized recycling facility and the recycling energy requirements at the decentralized recycling facility are varied. Copyright © 2015 John Wiley & Sons, Ltd.
Synthesis of versatile poly(PMMA‐b‐VI) macromonomer‐based hydrogels via infrared laser ignited frontal polymerization
Authors: Chen Ting , Li Yang , Yang Sheng‐Yang , Wang Cai‐Feng , Chen Su
Published: November 2015

In this work, poly((PMMA‐b‐VI)‐co‐AA) (MMA = methyl methacrylate; VI = 1‐vinylimidazole; AA = acrylic acid) hydrogels and poly((PMMA‐b‐VI)‐co‐AA)/TPU (TPU = thermoplastic polyurethane) IPN (interpenetrating polymer networks) hydrogels have been fabricated via versatile infrared laser ignited frontal polymerization by using poly(PMMA‐b‐VI) macromonomer as the mononer. The frontal velocity andTmax(the highest temperature that the laser beam detected at a fixed point) can be adjusted by varying monomer weight ratios, the concentration of BPO (BPO = benzoyl peroxide) and the amount of TPU. Moreover, the addition of TPU enhances the reactant viscosity to suppress the “fingering” of frontal polymerization (FP) and decreaseTmaxof the reaction, providing a new inert carrier (TPU) to assist FP. Through the characterization of Fourier transform‐infrared spectroscopy (FT‐IR), scanning electron microscope (SEM), and differential scanning calorimetry (DSC), the desired structure can be proved to exist in the IPN hydrogels. Furthermore, poly((PMMA‐b‐VI)‐co‐AA)/TPU IPN hydrogels possesses more excellent mechanical behaviors than hydrogels without IPN structure. Besides, the poly((PMMA‐b‐VI)‐co‐AA) hydrogels present splendid sensitive properties toward substances of different flavor including sourness (CA, citric acid or GA, gluconic acid), umami (SG, sodium glutamate), saltiness (SC, sodium chloride), sweetness (GLU, glucose), enabling their potential as artificial tongue‐like sensing materials. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem.2016,54, 1210–1221
Energy transfer in poly(3‐hexylthiophene)‐g‐Polyfluorene graft copolymers
Authors: Steverlynck Joost , De Cattelle Amaury , De Winter Julien , Gerbaux Pascal , Koeckelberghs Guy
Published: November 2015

Conjugated graft copolymers consisting of a poly(3‐hexylthiophene) (P3HT) backbone and poly(9,9'‐dioctylfluorene) side chains (PF) with different grafting degrees were synthesized by the CuAAC reaction. The properties of these materials were studied by UV‐Vis and fluorescence spectroscopy. The former technique provides insight in their self‐assembly, while the latter is used to study the energy funneling from the PF side chains to the P3HT backbone. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016, 54, 1252–1258
Efficient and Selectable Production of Reactive Species Using a Nanosecond Pulsed Discharge in Gas Bubbles in Liquid
Authors: Dai Xiujuan J. , Corr Cormac S. , Ponraj Sri B. , Maniruzzaman Mohammad , Ambujakshan Arun T. , Chen Zhiqiang , Kviz Ladge , Lovett Robert , Rajmohan Gayathri D. , de Celis David R. , Wright Marion L. , Lamb Peter R. , Krasik Yakov E. , Graves David B. , Graham William G. , d'Agostino Riccardo , Wang Xungai
Published: November 2015

A plasma gas bubble‐in‐liquid method for high production of selectable reactive species using a nanosecond pulse generator has been developed. The gas of choice is fed through a hollow needle in a point‐to‐plate bubble discharge, enabling improved selection of reactive species. The increased interface reactions, between the gas‐plasma and water through bubbles, give higher productivity. H2O2 was the predominant species produced using Ar plasma, while predominantly and NO2 were generated using air plasma, in good agreement with the observed emission spectra. This method has nearly 100% selectivity for H2O2, with seven times higher production, and 92% selectivity for , with nearly twice the production, compared with a plasma above the water.
Polar and semipolar (112) InAlN layers grown on AlN templates using MOVPE
Authors: Dinh Duc V. , Li Haoning , Parbrook Peter J.
Published: November 2015

We report on metalorganic vapor phase epitaxial growth of InAlN layers on (0001) and (112) AlN templates at different temperatures (725–800 °C). The indium content (8.0–15.2%) of the (112) InAlN layers was found to be lower compared to that for the (0001) layers (9.0–23.0%). The higher indium content of the (0001) layers was attributed to a high density of small hillocks and a larger degree of relaxation. The small hillocks on the (0001) layer surface acted as quantum‐dot‐like structures that caused a stronger emission at longer wavelength compared to weaker emission at shorter wavelength from a “bulk” layer underneath. A large Stokes‐shift of about 300 and 480 meV was observed for the (0001) and () layers, respectively. The larger shift of the (112) layers was attributed to a higher degree of localization. The larger degree of localization and higher unintentional oxygen incorporation enhanced the luminescence intensity of the (112) layers compared to that for the (0001) layers.
Teaching examples for the design of experiments: geographical sensitivity and the self‐fulfilling prophecy
Authors: Lendrem Dennis W. , Lendrem B. Clare , Rowland‐Jones Ruth , D'Agostino Fabio , Linsley Matt , Owen Martin R. , Isaacs John D.
Published: November 2015

Many scientists believe that small experiments, guided by scientific intuition, are simpler and more efficient than design of experiments. This belief is strong and persists even in the face of data demonstrating that it is clearly wrong. In this paper, we present two powerful teaching examples illustrating the dangers of small experiments guided by scientific intuition. We describe two, simple, two‐dimensional spaces. These two spaces give rise to, and at the same time appear to generate supporting data for, scientific intuitions that are deeply flawed or wholly incorrect. We find these spaces useful in unfreezing scientific thinking and challenging the misplaced confidence in scientific intuition. Copyright © 2015 John Wiley & Sons, Ltd.
Using Combined Bipolar Semantic Scales and Eye‐Tracking Metrics to Compare Consumer Perception of Real and Virtual Bottles
Authors: Rojas Juan‐Carlos , Contero Manuel , Bartomeu Noemí , Guixeres Jaime
Published: November 2015

Three‐dimensional virtual representations of consumer products are expected to gain relevance in e‐commerce applications as low cost virtual reality headsets arrive on the market in the next years. However, there are a limited number of studies related to the perceptual evaluation of virtual products and their packaging where virtual and real (photographic) representations are compared. As part of an extensive exploration toward understanding product perception in virtual stores, this work presents a study with 38 participants in which consumer perceptions of a photographic and a virtual representation of a beer bottle are examined. Perceptual evaluation is assessed using two metrics: first, an evaluation was performed by applying a bipolar semantic scale based on four axes: novelty, resolution, style and emotion. Second, eye‐tracking metrics were employed to analyse participant gaze behaviour during the visualization of stimuli. Virtual bottles were modelled using a medium polygonal load (5 K polygons per bottle), and render quality was also medium to intentionally recreate the computing limitations of smartphone‐based virtual reality headsets. Results show that a medium render quality alters consumer perception and responses using semantic scales. Eye‐tracking analysis confirms that the orientation of the bottle and how it is presented also affect consumer perception. While some orientations result in similar eye‐tracking metrics, others show different results. Copyright © 2015 John Wiley & Sons, Ltd.
The Barrier Effect of EVOH versus 1,4,7‐Triaxocyclotridecane‐8,13‐Dione, a Non‐intentionally Added Compound from Polyurethane Adhesives in Multilayer Food Packaging
Authors: Carrizo Daniel , Maccagnan Andrea , Félix Juliana S. , Nerín Cristina , Bosetti Osvaldo
Published: November 2015

The presence and migration of non‐intentionally added substances in food packaging materials are the big concerns nowadays in terms of food safety, and the identification and quantitation are an important analytical challenge. Among non‐intentionally added substances, 1,4,7‐trioxacyclotridecane‐8,13‐dione, a by‐product resulting from the interaction between ingredients in many polyurethane adhesives, has been identified and quantified.

Migration tests were carried out with food simulant E (Tenax®) and 3% acetic acid (simulant B) stored at 40°C/10 days using different adhesives and with different film thickness in the presence and absence of EVOH layer. After the exposure, Tenax® was extracted and analysed by gas chromatography with mass spectrometry. For 3% acetic acid, the analyses were directly performed by the Acquity® ultra‐performance liquid chromatography system coupled to triple quadrupole mass spectrometer detector.

A possible degradation of the lactone after migration tests with 3% acetic acid occurred, and total degradation after 8 days was confirmed. Two compounds were detected and identified, which were also found in the migration extracts.

Partition experiments were carried out from laminates composed by polypropylene film, adhesive and non‐treated polyethylene film at 40°C for 10 days. After this, the polypropylene/adhesive and polyethylene layers were independently extracted and analysed by gas chromatography with mass spectrometry. Diffusion studies were carried out following the Moisan procedure. The results and conclusions are shown and discussed.
Finite time distributed distance‐constrained shape stabilization and flocking control for d‐dimensional undirected rigid formations
Authors: Sun Zhiyong , Mou Shaoshuai , Deghat Mohammad , Anderson Brian D. O.
Published: November 2015

Most of the existing results on distributed distance‐constrained rigid formation control establish asymptotic or exponential convergence. To further improve the convergence rate, we explain in this paper how to modify existing gradient controllers to obtain finite time stability. For point agents modeled by single integrators, the controllers proposed in this paper drive the whole formation to locally converge to a desired shape with finite settling time. We also show for undirected triangular formation shape control, if all the agents start with non‐collinear positions, then the formation will converge to the desired shape in finite time. For agents modeled by double integrators, the proposed controllers allow all agents to both achieve the same velocity and reach a desired shape in finite time. All controllers are totally distributed. Simulations are also provided to validate the proposed control strategies. Copyright © 2015 John Wiley & Sons, Ltd.