bluuebunny/crossref_metadata_2025 huggingface dataset:
An Indium‐Free Anode for Large‐Area Flexible OLEDs: Defect‐Free Transparent Conductive Zinc Tin Oxide
Authors: Morales‐Masis Monica , Dauzou Fabien , Jeangros Quentin , Dabirian Ali , Lifka Herbert , Gierth Rainald , Ruske Manfred , Moet Date , Hessler‐Wyser Aïcha , Ballif Christophe
Published: December 2015

Flexible large‐area organic light‐emitting diodes (OLEDs) require highly conductive and transparent anodes for efficient and uniform light emission. Tin‐doped indium oxide (ITO) is the standard anode in industry. However, due to the scarcity of indium, alternative anodes that eliminate its use are highly desired. Here an indium‐free anode is developed by a combinatorial study of zinc oxide (ZnO) and tin oxide (SnO2), both composed of earth‐abundant elements. The optimized Zn–Sn–O (ZTO) films have electron mobilities of up to 21 cm2 V−1 s−1, a conductivity of 245 S cm−1, and <5% absorptance in the visible range of the spectrum. The high electron mobilities and low surface roughness (<0.2 nm) are achieved by producing dense and void‐free amorphous layers as confirmed by transmission electron microscopy. These ZTO layers are evaluated for OLEDs in two anode configurations: i) 10 cm2 devices with ZTO/Ag/ZTO and ii) 41 cm2 devices with ZTO plus a metal grid. The ZTO layers are compatible with OLED processing steps and large‐area white OLEDs fabricated with the ZTO/grid anode show better performance than those with ITO/grid anodes. These results confirm that ZTO has the potential as an In‐free and Earth‐abundant alternative to ITO for large‐area flexible OLEDs.
Multi‐Component Organic Layers on Metal Substrates
Authors: Goiri Elizabeth , Borghetti Patrizia , El‐Sayed Afaf , Ortega J. Enrique , de Oteyza Dimas G.
Published: December 2015

Increasingly high hopes are being placed on organic semiconductors for a variety of applications. Progress along these lines, however, requires the design and growth of increasingly complex systems with well‐defined structural and electronic properties. These issues have been studied and reviewed extensively in single‐component layers, but the focus is gradually shifting towards more complex and functional multi‐component assemblies such as donor–acceptor networks. These blends show different properties from those of the corresponding single‐component layers, and the understanding on how these properties depend on the different supramolecular environment of multi‐component assemblies is crucial for the advancement of organic devices. Here, our understanding of two‐dimensional multi‐component layers on solid substrates is reviewed. Regarding the structure, the driving forces behind the self‐assembly of these systems are described. Regarding the electronic properties, recent insights into how these are affected as the molecule's supramolecular environment changes are explained. Key information for the design and controlled growth of complex, functional multicomponent structures by self‐assembly is summarized.
Metal‐Free Synthesis of Chlorinated β‐Amino Ketones via an Unexpected Reaction of Imines with Arylacetylenes in 1,1,1,3,3,3‐Hexafluoro‐2‐propanol
Authors: Kushwaha Khushbu , Pinter Balazs , Shehzadi Syeda A. , Malakar Chandi C. , Vande Velde Christophe M. L. , de Proft Frank , Abbaspour Tehrani Kourosch
Published: December 2015

The metal‐free reaction of terminal arylacetylenes with α,α‐dichloroaldimines in 1,1,1,3,3,3‐hexafluoro‐2‐propanol as the sole solvent results in the rapid and selective formation of γ,γ‐dichloro‐β‐amino ketones. In this solvent the expected dichlorinated propargylamines and/or allylic amines are not formed. The dichloromethylene moiety of the aldimine acts as an activating group and is essential to accomplish this transformation. Electron‐rich acetylenes lead to the best results and work well with all imines (with or without α′‐H at the nitrogen substituent), while electron‐deficient acetylenes only reacted with N‐tert‐butylaldimines (no α′‐H). The mechanistic pathway showed 1,1,1,3,3,3‐hexafluoro‐2‐propanol to protonate the aldimine, which in the rate‐determining step will react with the arylacetylene to form a resonance‐stabilized allene cation, which is trapped by a HFIP molecule giving rise to an enol ether, which promptly hydrolyzes to furnish exclusively the β‐amino ketones. Using DFT techniques we found that the first CC bond forming step is the rate‐determining step and is associated with a barrier of about 21 kcal mol−1.

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Regioselective Synthesis of 1,2‐ and 1,4‐Dihydroquinolines by Palladium‐Catalyzed Intramolecular N‐Arylation
Authors: Park Kyeong‐Yong , Lee Jinyong , Park Seong Jun , Heo Jung‐Nyoung , Lim Hwan Jung
Published: December 2015

A series of 1,2‐ and 1,4‐dihydroquinolines has been successfully prepared. The Pd‐catalyzed intramolecular N‐arylation of Z‐enamines, formally prepared by the Horner–Wadsworth–Emmons olefination, proceeded efficiently to furnish the cyclized products. Depending on the cyclization conditions, substituted 1,4‐dihydroquinolines and further isomerized 1,2‐dihydroquinolines were independently obtained in high yields with an excellent control of isomerization of the double bond.

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Phosphine‐Catalyzed Cascade Reaction of Unsaturated Pyrazolones with Alkyne Derivatives: Efficient Synthesis of Pyrano[2,3‐c]pyrazoles and Spiro‐cyclopentanone‐pyrazolones
Authors: Li Jun‐Hua , Du Da‐Ming
Published: December 2015

A triphenylphosphine‐catalyzed cascade reaction of unsaturated pyrazolones with dialkyl acetylenedicarboxylates or but‐3‐yn‐2‐one to synthesize the bioactive pyrano[2,3‐c]pyrazoles in moderate to excellent yields has been developed. Meanwhile, spiro‐cyclopentanone‐pyrazolones were also first constructed by the triphenylphosphine‐catalyzed cascade reaction of unsaturated pyrazolones with 4‐phenylbut‐3‐yn‐2‐one in moderate to good yields.

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Synthesis of Short‐Chain Alkenyl Ethers from Primary and Bio‐sourced Alcohols via the Nickel‐Catalyzed Hydroalkoxylation Reaction of Butadiene and Derivatives
Authors: Mifleur Alexis , Ledru Hélène , Lopes Adrien , Suisse Isabelle , Mortreux André , Sauthier Mathieu
Published: December 2015

Hydroalkoxylation of butadiene has been performed in the presence of nickel precatalysts associated with chelating diphosphine ligands. High butadiene conversions and selectivities forming alkyl butenyl ethers were obtained with low catalyst loading. Reactions were performed with a wide scope of primary alcohols including benzylic alcohol derivatives and bio‐sourced alcohols. In the same way, the scope of dienes that can be reacted according to this reaction has been also studied. Substituted butadiene derivatives have shown a lower reactivity compared to butadiene. Isoprene formed OC5 alkenyl ethers with a high regioselectivity for one branched isomeric form.

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Rhodium(II)‐Catalyzed Regioselective Carbenoid Insertion Reaction of Simple Indoles with N‐Sulfonyltriazoles: A Rapid Access to Tryptamine Vinylogues
Authors: Huang Jiapian , Yang Yi , Chen Zhiyuan
Published: December 2015

A synthetically useful 1,3‐insertion reaction of a rhodium‐carbenoid into the C(sp2)H bond of simple indole is disclosed, which produces structurally divergent 2‐indolylenamides in good to excellent yields and decent chemo‐ and regioselectivities. The obtained tryptamine vinylogues can be transformed into biologically important tryptamine derivatives or 3,3′‐biindoles with ease.

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Novel Easily Recyclable Bifunctional Phosphonic Acid Carrying Tripeptides for the Stereoselective Michael Addition of Aldehydes with Nitroalkenes
Authors: Cortes‐Clerget Margery , Gager Olivier , Monteil Maelle , Pirat Jean‐Luc , Migianu‐Griffoni Evelyne , Deschamp Julia , Lecouvey Marc
Published: December 2015

A novel bifunctional organocatalyst library combining both aminocatalysis and phosphonic acid activation was used for the first time as an efficient tool for the stereoselective Michael addition of aldehydes with several aromatic nitroalkenes with good selectivities up to 95:5 dr and 93:7 er. Due to their high water solubility, the catalysts were easily recyclable and could be reused over several cycles without any significant loss of selectivity.

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Transformation of Contact‐Explosives Primary Amines and Iodine(III) into a Successful Chemical Reaction under Solvent‐Free Ball Milling Conditions
Authors: Kumar Achar Tapas , Mal Prasenjit
Published: December 2015

Any synthetic transformation using contact‐explosives primary amines and hypervalent iodine(III) (phenyliodine diacetate) in constrained media (extreme conditions) is practically impossible. Herein, we report a method of controlling the explosion into a successful chemical reaction using the acid‐salt NaHSO4. As a proof‐of‐concept, we considered mechanochemical (ball‐milling) cross dehydrogenative coupling (CDC) reaction for the amidation of aldehydes via CH activation. An isothermal titration calorimetric (ITC) study was helpful to understand the enthalpy changes during the reactions before and after addition of NaHSO4.

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Transformation of Trifluorotoluenes Triggered by Titanium(IV) Chloride‐Catalyzed Hydrodefluorination using Hydrosilanes
Authors: Yamada Takayuki , Saito Kodai , Akiyama Takahiko
Published: December 2015

The titanium tetrachloride‐catalyzed hydrodefluorination reaction of trifluorotoluene derivatives was developed using triethylsilane as the reducing agent. The reaction produced various toluene derivatives with high chemoselectivities by means of readily accessible reagents. This hydrodefluorination process was extended to the intramolecular Friedel–Crafts benzylation reaction, furnishing polycyclic aromatics of various ring sizes in good yields.

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Loss Mechanisms in High Efficiency Polymer Solar Cells
Authors: MacKenzie R. C. I. , Balderrama V. S. , Schmeisser S. , Stoof R. , Greedy S. , Pallarès J. , Marsal L. F. , Chanaewa A. , von Hauff E.
Published: December 2015

Performance losses and aging mechanisms are investigated in state‐of‐the‐art PTB7:PC70BM solar cells. Inverted devices incorporating a vanadium pentoxide (V2O5) top contact have efficiencies of 8%. After aging the unencapsulated devices, no changes are observed in the open circuit voltage (Voc) or short circuit current (Jsc); however, the fill factor (FF) drops from 0.7 to 0.61. An s‐shape initially appears in the J–V curve after aging, which can be reduced by cycling through the J–V curve under illumination. This is discussed in context of the redox properties of V2O5. With impedance spectroscopy, it is demonstrated that changes to the contact interfaces are completely reversible and not responsible for the performance loss. Intensity modulated photocurrent spectroscopy combined with device modeling reveals that the loss in FF is due to trap formation in the active layer. Additionally it is observed that the performance of pristine devices is limited by optical absorption in the thin active layer and the build‐up of space charge which hinders carrier extraction.
A sparse PCA for nonlinear fault diagnosis and robust feature discovery of industrial processes
Authors: Yu Hongyang , Khan Faisal , Garaniya Vikram
Published: December 2015

Pearson's correlation measure is only able to model linear dependence between random variables. Hence, conventional principal component analysis (PCA) based on Pearson's correlation measure is not suitable for application to modern industrial processes where process variables are often nonlinearly related. To address this problem, a nonparametric PCA model is proposed based on nonlinear correlation measures, including Spearman's and Kendall tau's rank correlation. These two correlation measures are also less sensitive to outliers comparing to Pearson's correlation, making the proposed PCA a robust feature extraction technique. To reveal meaningful patterns from process data, a generalized iterative deflation method is applied to the robust correlation matrix of the process data to sequentially extract a set of leading sparse pseudoeigenvectors. For online fault diagnosis, the T2 and SPE statistics are computed and analyzed with respect to the subspace spanned by the extracted pseudoeigenvectors. The proposed method is applied to two industrial case studies. Its process monitoring performance is demonstrated to be superior to that of the conventional PCA and is comparable to those of Kernel PCA and kernel independent component analysis at a lower computational cost. The proposed PCA is also more robust in sparse feature extraction from contaminated process data. © 2016 American Institute of Chemical Engineers AIChE J, 62: 1494–1513, 2016
Genome‐wide association study reveals greater polygenic loading for schizophrenia in cases with a family history of illness
Authors: Bigdeli Tim B. , Ripke Stephan , Bacanu Silviu‐Alin , Lee Sang Hong , Wray Naomi R. , Gejman Pablo V. , Rietschel Marcella , Cichon Sven , St Clair David , Corvin Aiden , Kirov George , McQuillin Andrew , Gurling Hugh , Rujescu Dan , Andreassen Ole A. , Werge Thomas , Blackwood Douglas H. R. , Pato Carlos N. , Pato Michele T. , Malhotra Anil K. , O'Donovan Michael C. , Kendler Kenneth S. , Fanous Ayman H. ,   Schizophrenia Working Group of the Psychiatric Genomics Consortium
Published: December 2015

Genome‐wide association studies (GWAS) of schizophrenia have yielded more than 100 common susceptibility variants, and strongly support a substantial polygenic contribution of a large number of small allelic effects. It has been hypothesized that familial schizophrenia is largely a consequence of inherited rather than environmental factors. We investigated the extent to which familiality of schizophrenia is associated with enrichment for common risk variants detectable in a large GWAS. We analyzed single nucleotide polymorphism (SNP) data for cases reporting a family history of psychotic illness (N = 978), cases reporting no such family history (N = 4,503), and unscreened controls (N = 8,285) from the Psychiatric Genomics Consortium (PGC1) study of schizophrenia. We used a multinomial logistic regression approach with model‐fitting to detect allelic effects specific to either family history subgroup. We also considered a polygenic model, in which we tested whether family history positive subjects carried more schizophrenia risk alleles than family history negative subjects, on average. Several individual SNPs attained suggestive but not genome‐wide significant association with either family history subgroup. Comparison of genome‐wide polygenic risk scores based on GWAS summary statistics indicated a significant enrichment for SNP effects among family history positive compared to family history negative cases (Nagelkerke's R2 = 0.0021; P = 0.00331; P‐value threshold <0.4). Estimates of variability in disease liability attributable to the aggregate effect of genome‐wide SNPs were significantly greater for family history positive compared to family history negative cases (0.32 and 0.22, respectively; P = 0.031). We found suggestive evidence of allelic effects detectable in large GWAS of schizophrenia that might be specific to particular family history subgroups. However, consideration of a polygenic risk score indicated a significant enrichment among family history positive cases for common allelic effects. Familial illness might, therefore, represent a more heritable form of schizophrenia, as suggested by previous epidemiological studies. © 2015 Wiley Periodicals, Inc.
Electronic Energy Transfer Modulation in a Dynamic Foldaxane: Proof‐of‐Principle of a Lifetime‐Based Conformation Probe
Authors: Denisov Sergey A. , Gan Quan , Wang Xiang , Scarpantonio Luca , Ferrand Yann , Kauffmann Brice , Jonusauskas Gediminas , Huc Ivan , McClenaghan Nathan D.
Published: December 2015

Abiotic aromatic oligoamide foldamers are shown to self‐assemble in solution to form a double helix, which can accommodate a bichromophoric thread in its central void. While in solution reversible electronic energy transfer is instilled between chromophoric termini of the free, flexible thread as evidenced through delayed luminescence, upon rigidification of the rod the chromophores are mutually distanced and effectively decoupled. Consequently, the chromophores display their individual photophysical characteristics. The observed conformation‐dependent changes of dynamic luminescence properties, which are particularly sensitive to distance, offers a new strategy for lifetime‐based detection of geometry on the molecular scale as demonstrated through real‐time luminescence detection of molecular complexation leading to foldaxane formation.
An Autonomously Reciprocating Transmembrane Nanoactuator
Authors: Watson Matthew A. , Cockroft Scott L.
Published: December 2015

Biological molecular machines operate far from equilibrium by coupling chemical potential to repeated cycles of dissipative nanomechanical motion. This principle has been exploited in supramolecular systems that exhibit true machine behavior in solution and on surfaces. However, designed membrane‐spanning assemblies developed to date have been limited to simple switches or stochastic shuttles, and true machine behavior has remained elusive. Herein, we present a transmembrane nanoactuator that turns over chemical fuel to drive autonomous reciprocating (back‐and‐forth) nanomechanical motion. Ratcheted reciprocating motion of a DNA/PEG copolymer threaded through a single α‐hemolysin pore was induced by a combination of DNA strand displacement processes and enzyme‐catalyzed reactions. Ion‐current recordings revealed saw‐tooth patterns, indicating that the assemblies operated in autonomous, asymmetric cycles of conformational change at rates of up to one cycle per minute.
Heteroleptic [Bis(oxazoline)](dipyrrinato)zinc(II) Complexes: Bright and Circularly Polarized Luminescence from an Originally Achiral Dipyrrinato Ligand
Authors: Kögel Julius F. , Kusaka Shinpei , Sakamoto Ryota , Iwashima Toshiki , Tsuchiya Mizuho , Toyoda Ryojun , Matsuoka Ryota , Tsukamoto Takamasa , Yuasa Junpei , Kitagawa Yasutaka , Kawai Tsuyoshi , Nishihara Hiroshi
Published: December 2015

Heteroleptic zinc(II) complexes synthesized using achiral dipyrrinato and chiral bis(oxazoline) ligands show bright fluorescence with quantum efficiencies of up to 0.70. The fluorescence originates from the 1π–π* photoexcited state localized exclusively on the dipyrrinato ligand. Furthermore, the luminescence is circularly polarized despite the achirality of the dipyrrinato ligand. Single‐crystal X‐ray structure analysis discloses that the chiral bis(oxazoline) ligand undergoes intramolecular π–π stacking with the dipyrrinato ligand, inducing axial chirality in the dipyrrinato moiety.
Catalytic Borylative Opening of Propargyl Cyclopropane, Epoxide, Aziridine, and Oxetane Substrates: Ligand Controlled Synthesis of Allenyl Boronates and Alkenyl Diboronates
Authors: Zhao Jian , Szabó Kálmán J.
Published: December 2015

A new copper‐catalyzed reaction for the stereo‐ and regioselective synthesis of alkenyl diboronates and allenyl boronates is presented. In this process propargyl derivatives of strained three/four‐membered rings were employed as substrates and B2pin2 was used as the boronate source. Selective formation of the alkenyl diboronate versus the allenyl boronate products was controlled by the choice of phosphine ligand.
Inversion of the Supramolecular Chirality of Nanofibrous Structures through Co‐Assembly with Achiral Molecules
Authors: Liu Guo‐Feng , Zhu Ling‐Yun , Ji Wei , Feng Chuan‐Liang , Wei Zhi‐Xiang
Published: December 2015

To understand the behavior of chiral nanostructures, it is of critical importance to study how achiral molecules regulate the chirality of such nanostructures and what the main driving forces for the regulation processes are. In this work, the supramolecular chirality of helical nanofibers consisting of phenylalanine‐based enantiomers is inverted by achiral bis(pyridinyl) derivatives through co‐assembly. This inversion is mainly mediated by intermolecular hydrogen bonding interactions between the achiral additives and the chiral molecules, which may induce stereoselective interactions and different reorientations for the assembled molecules, as confirmed by calculations. This work not only exemplifies a feasible method to invert the helicity of chiral nanostructures by the addition of achiral molecules, but also provides a method to explore their functions in environments where chiral and achiral molecules are in close proximity.
Copper Hydride Catalyzed Hydroamination of Alkenes and Alkynes
Authors: Pirnot Michael T. , Wang Yi‐Ming , Buchwald Stephen L.
Published: December 2015

Over the past few years, CuH‐catalyzed hydroamination has been discovered and developed as a robust and conceptually novel approach for the synthesis of enantioenriched secondary and tertiary amines. The success in this area of research was made possible through the large body of precedent in copper(I) hydride catalysis and the well‐explored use of hydroxylamine esters as electrophilic amine sources in related copper‐catalyzed processes. This Minireview details the background, advances, and mechanistic investigations in CuH‐catalyzed hydroamination.
Synthesis of Crystalline Chalcogenides in Ionic Liquids
Authors: Santner Silke , Heine Johanna , Dehnen Stefanie
Published: December 2015

Crystalline chalcogenides belong to the most promising class of materials. In addition to dense solid‐state structures, they may form molecular cluster arrangements and networks with high porosity, as in the so‐called “zeotype” chalcogenidometalates. The high structural diversity comes along with interesting physical properties such as semi‐/photoconductivity, ion transport capability, molecular trapping potential, as well as chemical and catalytic activity. The great interest in the development of new and tailored chalcogenides has provoked a continuous search for new and better synthesis strategies over the years. The trend has clearly been towards lower temperatures for both economic and ecological reasons as well as for better reaction control. This led to the application of ionic liquids as a designer‐like medium for materials synthesis. In this Review, we summarize recent developments and present a survey of different chalcogenide families along with their properties.
Use of Trifluoromethyl Groups for Catalytic Benzylation and Alkylation with Subsequent Hydrodefluorination
Authors: Zhu Jiangtao , Pérez Manuel , Caputo Christopher B. , Stephan Douglas W.
Published: December 2015

The electrophilic organofluorophosphonium catalyst [(C6F5)3PF][B(C6F5)4] is shown to effect benzylation or alkylation by aryl and alkyl CF3 groups with subsequent hydrodefluorination, thus resulting in a net transformation of CF3 into CH2–aryl fragments. In the case of alkyl CF3 groups, Friedel–Crafts alkylation by the difluorocarbocation proceeded without cation rearrangement, in contrast to the corresponding reactions of alkyl monofluorides.
Design and cell cytotoxicity assessment of palmitoylated polyethylene glycol‐grafted chitosan as nanomicelle carrier for paclitaxel
Authors: Abbasi Sahar , Yousefi Gholamhossein , Firuzi Omidreza , Mohammadi‐Samani Soliman
Published: December 2015

Amphiphilic graft copolymers were synthesized using chitosan with varying substitution degrees of methoxy polyethylene glycol and palmitic acid. FT‐IR, 1H‐NMR, differential scanning calorimetry, and elemental analysis showed successful chitosan modification. Amphiphilic copolymers are able to produce nano ssemblies with low critical micelle concentration (CMC). It was demonstrated that particle size (PS) analysis and drug solubilization methods could be used to determine CMC, beside fluorescent pyrene assay. Paclitaxel was efficiently loaded (up to 12.8%) without significant change in the nanomicelles’ PS. In addition, without significant change in size and loading, nanomicelles could be freeze‐dried. Hemolysis assay exhibited biocompatibility of copolymers and cell cytotoxicity assay on MCF‐7 cell line showing the encapsulated drug had a higher cytotoxic effect. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43233.
Simultaneous improvement in strength, toughness, and thermal stability of epoxy/halloysite nanotubes composites by interfacial modification
Authors: Sun Pan , Liu Guoming , Lv Dong , Dong Xia , Wu Jingshen , Wang Dujin
Published: December 2015

This work investigated the effect of silane modification of halloysite nanotubes (HNTs) on the mechanical properties of epoxy/HNTs nanocomposites. Three kinds of silane coupling agents, including 3‐(2‐aminoethyl)‐aminopropyltrimethoxysilane (AEAPS), (3‐glycidyloxypropyl)‐trimethoxysilane (GPTMS), and octyltriethoxysilane (OTES), were employed. It was shown that the modified HNTs exhibited a better dispersion in the epoxy matrix compared with pristine one. Because of strong interfacial interaction between AEAPS modified HNTs and the epoxy matrix, the nanocomposites exhibited the highest glass transition temperature and modulus among all the samples. On the other hand, AEAPS and GPTMS modified HNTs/epoxy nanocomposites showed enhanced tensile strength and toughness. The toughing mechanisms were identified by the SEM micrographs of the fracture surfaces of the different kinds of samples. In this study, simultaneous enhancement of strength, toughness, and thermal stability of epoxy by the modified HNTs provides a novel approach to produce high‐performance thermosets. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43249.
Dynamic mechanical analysis of the multiple glass transitions of plasticized wheat gluten biopolymer
Authors: Duval Antoine , Molina‐Boisseau Sonia , Chirat Christine , Morel Marie-Hélène
Published: December 2015

Glass transition of thermo‐molded biomaterials made from wheat gluten and its main protein classes is studied by dynamic mechanical analysis (DMA). The materials are plasticized with variable contents of glycerol (30–40 wt %) and water (0–20 wt %). For all materials, three successive relaxation phases are systematically detected. Their positions shift to lower temperature as the plasticizer content of materials increases. Composition in gluten, glycerol and water of each relaxation phase is estimated using the Couchman‐Karasz model. Irrespective of the plasticizer content or composition, the relaxation phases shows rather constant plasticizer volume fractions. The low‐, middle‐, and high relaxation phases include respectively around 30, 60 and 80 vol % of gluten protein. These relaxations are assigned to the segmental motion of the surface amino‐acid side groups, to the collective motion of packed gluten proteins, and to the gain in protein conformational mobility as a 2D network of interacting plasticizer molecules forms. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43254.
Correlates of lake use by breeding common scoters in Scotland
Authors: Hancock Mark H. , Robson Hannah J. , Smith Trevor D. , Douse Andy
Published: December 2015

1. Many populations of sea‐ducks, which typically winter at sea but breed on fresh water, are declining. Numbers of common scoters Melanitta nigra (L.) breeding in Scotland halved between 1995 and 2007, despite most breeding sites having special conservation status. To identify potential conservation measures, a 3‐year study was conducted, investigating correlates of lake use by scoters.

2. At 26 scoter breeding lakes, food abundance (macroinvertebrates) and foraging habitats (substrates, water depth) were measured, and their associations with scoter lake use explored using multi‐model inference. Correlates of macroinvertebrate abundance (water quality, fish abundance) were also investigated.

3. Averaged over 3 years (2009–2011), these lakes held 26.7 (SE 6.3) females, around half the Scottish breeding population. Scoters occurred more often at lakes having abundant large‐bodied invertebrates and extensive shallow water. Lakes where the average weight of the largest invertebrate in each sample exceeded 4 mg had 9.2 times (females) or 27 times (broods) more scoter records than other lakes. Lakes where water depths (10 m from the shore) averaged less than 1.3 m had 2.5 times (females) or 12 times (broods) more scoter records than other lakes.

4. The abundance of large‐bodied invertebrates was greater where small fish species (mostly three‐spined sticklebacks Gasterosteus aculeatus) were more common and brown trout Salmo trutta were scarcer.

5. Results suggest two approaches to scoter conservation. At lakes used for hydro‐electricity generation, water level regimes that provide extensive shallow water should be tested to see if these benefit scoters. At lakes used for trout fishing, trout reduction by increased angling should be trialled, to see if this increases large‐invertebrate abundance and scoter use. Copyright © 2015 John Wiley & Sons, Ltd.
Iron multiplets in meteor comas
Authors: Mozgova A. M. , Churyumov K. I. , Melnyk M. V.
Published: December 2015

In this paper, we present a catalog of the iron multiplets which are observed in meteor spectra. It contains the energy levels terms (in eV) and wavelengths of spectral lines. Complete Grotrian diagrams are given if possible, which clearly explain the transitions belonging to a given multiplet. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Environmental dependence of stellar mass and stellar velocity dispersion of CMASS galaxies
Authors: Deng X.‐F.
Published: December 2015

In this study, I attempt to apply for a new statistical method and investigate the environmental dependence of stellar mass and stellar velocity dispersion in the CMASS sample of the Sloan Digital Sky Survey Data Release 9 (SDSS DR9). I divide the CMASS sample with redshifts 0.44 ≤ z ≤ 0.59 into many subsamples with a redshift binning size of Δz = 0.01, and analyze the environmental dependence of stellar mass and stellar velocity dispersion of subsamples in each redshift bin. It is found that stellar mass and stellar velocity dispersions of CMASS galaxies are very weakly correlated with the local environment. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Variations of 14C around AD 775 and AD 1795 – due to solar activity
Authors: Neuhäuser R. , Neuhäuser D. L.
Published: December 2015

The motivation for our study is the disputed cause for the strong variation of 14C around AD 775. Our method is to compare the 14C variation around AD 775 with other periods of strong variability. Our results are: (a) We see three periods, where 14C varied over 200 yr in a special way showing a certain pattern of strong secular variation: after a Grand Minimum with strongly increasing 14C, there is a series of strong short‐term drop(s), rise(s), and again drop(s) within 60 yr, ending up to 200 yr after the start of the Grand Minimum. These three periods include the strong rises around BC 671, AD 775, and AD 1795. (b) We show with several solar activity proxies (radioisotopes, sunspots, and aurorae) for the AD 770s and 1790s that such intense rapid 14C increases can be explained by strong rapid decreases in solar activity and, hence, wind, so that the decrease in solar modulation potential leads to an increase in radioisotope production. (c) The strong rises around AD 775 and 1795 are due to three effects, (i) very strong activity in the previous cycles (i.e. very low 14C level), (ii) the declining phase of a very strong Schwabe cycle, and (iii) a phase of very weak activity after the strong 14C rise – very short and/or weak cycle(s) like the suddenly starting Dalton minimum. (d) Furthermore, we can show that the strong change at AD 1795 happened after a pair of two packages of four Schwabe cycles with certain hemispheric leadership (each package consists of two Gnevyshev‐Ohl pairs, respectively two Hale‐Babcock pairs). We show with several additional arguments that the rise around AD 775 was not that special. We conclude that such large, short‐term rises in 14C (around BC 671, AD 775, and 1795) do not need to be explained by highly unlikely solar super‐flares nor other rare events, but by extra‐solar cosmic rays modulated due to solar activity variations. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Magnetic, chemically peculiar (CP2) stars in the SuperWASP survey
Authors: Bernhard K. , Hümmerich S. , Paunzen E.
Published: December 2015

The magnetic chemically peculiar (CP2) stars of the upper main sequence are well‐suited for investigating the impact of magnetic fields on the surface layers of stars, which leads to abundance inhomogeneities (spots) resulting in photometric variability. The light changes are explained in terms of the oblique rotator model; the derived photometric periods thus correlate with the rotational periods of the stars. CP2 stars exhibiting this kind of variability are classified as α2 Canum Venaticorum (ACV) variables. We have analysed around 3850000 individual photometric WASP measurements of magnetic chemically peculiar (CP2) stars and candidates selected from the catalogue of Ap, HgMn, and Am stars, with the ultimate goal of detecting new ACV variables. In total, we found 80 variables, from which 74 are reported here for the first time. The data allowed us to establish variability for 23 stars which had been reported as probably constant in the literature before. Light curve parameters were obtained for all stars by a least‐squares fit with the fundamental sine wave and its first harmonic. Because of the scarcity of Strömgren uvbyβ measurements and the lack of parallax measurements with an accuracy better than 20%, we are not able to give reliable astro‐physical parameters for the investigated objects. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Entropy change and phase transitions in an expanding Universe
Authors: Iqbal N. , Masood T. , Demir N.
Published: December 2015

The work compiles a correlated study of a gravitational quasi equilibrium thermodynamic approach for establishing and signifying a unique behavior of the cosmological entropy and phase transitions in an expanding Universe. On the basis of prescribed boundary conditions for the cluster temperature a relation for the intra‐cluster medium (ICM) of galaxy clusters has been derived. A more productive and signifying approach of the correlation functions used for galaxy clustering phenomena shows a unique behavior of the entropy change where a phenomenon known as the gravitational phase transition occurs. This unique behavior occurs with a symmetry breaking from mild clustering to low clustering and from mild clustering to high clustering which differs from a normal symmetry breaking in material sciences. We also derive results for the specific latent heat associated with the phase transitions of 3.20 Tc and 0.55 Tc for the mildly clustered phase to the low clustered phase and from the mildly clustered phase to the highly clustered phase, respectively. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Variability in a three‐generation family with pierre robin sequence, acampomelic campomelic dysplasia, and intellectual disability due to a novel ∼1 Mb deletion upstream of SOX9, and including KCNJ2 and KCNJ16
Authors: Castori Marco , Bottillo Irene , Morlino Silvia , Barone Chiara , Cascone Piero ,   Pediatric Craniofacial Malformation (PECRAM) Study Group, Grammatico Paola , Laino Luigi
Published: December 2015

Background

Campomelic dysplasia and acampomelic campomelic dysplasia (ACD) are allelic disorders due to heterozygous mutations in or around SOX9. Translocations and deletions involving the SOX9 5′ regulatory region are rare causes of these disorders, as well as Pierre Robin sequence (PRS) and 46,XY gonadal dysgenesis. Genotype–phenotype correlations are not straightforward due to the complex epigenetic regulation of SOX9 expression during development.

Methods

We report a three‐generation pedigree with a novel ∼1 Mb deletion upstream of SOX9 and including KCNJ2 and KCNJ16, and ascertained for dominant transmission of PRS.

Results

Further characterization of the family identified subtle appendicular anomalies and a variable constellation of axial skeletal features evocative of ACD in several members. Affected males showed learning disability.

Conclusion

The identified deletion was smaller than all other chromosome rearrangements associated with ACD. Comparison with other reported translocations and deletions involving this region allowed further refining of genotype–phenotype correlations and an update of the smallest regions of overlap associated with the different phenotypes. Intrafamilial variability in this pedigree suggests a phenotypic continuity between ACD and PRS in patients carrying mutations in the SOX9 5′ regulatory region. Birth Defects Research (Part A) 106:61–68, 2016. © 2015 Wiley Periodicals, Inc.
The influence of the young microbiome on inflammatory diseases—Lessons from animal studies
Authors: Bendtsen Katja M. , Fisker Line , Hansen Axel K. , Hansen Camilla H.F. , Nielsen Dennis S.
Published: December 2015

Chronic inflammatory diseases are on the rise in the Westernized world. This rise has been correlated to a range of environmental factors, such as birth mode, rural versus urban living conditions, and use of antibiotics. Such environmental factors also influence early life gut microbiota (GM) colonization and maturation—and there is growing evidence that the negative effects of these factors on human health are mediated via GM alterations. Colonization of the gut initiates priming of the immune system from birth, driving tolerance towards non‐harmful microorganisms and dietary antigens and proper reactions towards invading pathogens. This early colonization is crucial for the establishment of a healthy GM, and throughout life the balanced interaction of GM and immune system is a key element in maintaining health. An immune system out of balance increases the risk for later life inflammatory diseases. Animal models are indispensable in the studies of GM influence on disease mechanisms and progression, and focus points include studies of GM modification during pregnancy and perinatal life. Here, we present an overview of animal studies which have contributed to our understanding of GM functions in early life and how alterations affect risk and expression of certain inflammatory diseases with juvenile onset, including interventions, such as birth mode, antibiotics, and probiotics. Birth Defects Research (Part C) 105:278–295, 2015. © 2015 Wiley Periodicals, Inc.
Microbial programming of health and disease starts during fetal life
Authors: Koleva Petya T. , Kim Ji‐Sun , Scott James A. , Kozyrskyj Anita L.
Published: December 2015

The pioneer microbiota of the neonatal gut are essential for gut maturation, and metabolic and immunologic programming. Recent research has shown that early bacterial colonization may impact the occurrence of disease later in life (microbial programming). Despite early conflicting evidence, it has long been considered that the womb is a sterile environment and human microbial colonization begins at birth. In the last few years, several findings have reiterated the presence of microbes in infant first stool (meconium) and pointed to the existence of in utero microbial colonization of the infant gut. The dominant bacterial taxa detected in meconium specimens belong to the Enterobacteriaceae family (Escherichia genus) and lactic acid bacteria (notably members of the genera Leuconostoc, Enterococcus, and Lactococcus). Maternal atopy promotes dominance of Enterobacteriaceae in newborn meconium, which in turn may lead to respiratory problems in the infant. This microbial interaction with the host immune system may in fact, originate during fetal life. Our review evaluates the evidence for an intrauterine origin of meconium microbiota, their composition and influences, and potential clinical implications on infant health. Birth Defects Research (Part C) 105:265–277, 2015. © 2015 Wiley Periodicals, Inc.
The dawn of active genetics
Authors: Gantz Valentino M. , Bier Ethan
Published: December 2015

On December 18, 2014, a yellow female fly quietly emerged from her pupal case. What made her unique was that she had only one parent carrying a mutant allele of this classic recessive locus. Then, one generation later, after mating with a wild‐type male, all her offspring displayed the same recessive yellow phenotype. Further analysis of other such yellow females revealed that the construct causing the mutation was converting the opposing chromosome with 95% efficiency. These simple results, seen also in mosquitoes and yeast, open the door to a new era of genetics wherein the laws of traditional Mendelian inheritance can be bypassed for a broad variety of purposes. Here, we consider the implications of this fundamentally new form of “active genetics,” its applications for gene drives, reversal and amplification strategies, its potential for contributing to cell and gene therapy strategies, and ethical/biosafety considerations associated with such active genetic elements.

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A simple rhodamine hydrazide‐based turn‐on fluorescent probe for HOCl detection
Authors: Zhang Zhen , Zou Yuan , Deng Chengquan , Meng Liesu
Published: December 2015

Hypochlorous acid (HOCl) plays a crucial role in daily life and mediates a variety of physiological processes, however, abnormal levels of HOCl have been associated with numerous human diseases. It is therefore of significant interest to establish a simple, selective, rapid and sensitive fluorogenic method for the detection of HOCl in environmental and biological samples. A hydrazide‐containing fluorescent probe based on a rhodamine scaffold was facilely developed that could selectively detect HOCl over other biologically relevant reactive oxygen species, reactive nitrogen species and most common metal ions in vitro. Via an irreversible oxidation–hydrolysis mechanism, and upon HOCl‐triggered opening of the intramolecular spirocyclic ring during detection, the rhodamine hydrazide‐based probe exhibited large fluorescence enhancement in the emission spectra with a fast response, low detection limit and comparatively wide pH detection range in aqueous media. The probe was further successfully applied to monitoring trace HOCl in tap water and imaging both exogenous and endogenous HOCl within living cells. It is anticipated that this simple and useful probe might be an efficient tool with which to facilitate more HOCl‐related chemical and biological research. Copyright © 2015 John Wiley & Sons, Ltd.
Antimicrobial activity of GN peptides and their mode of action
Authors: Godballe Troels , Mojsoska Biljana , Nielsen Hanne M. , Jenssen Håvard
Published: December 2015

Increasing prevalence of bacteria that carries resistance towards conventional antibiotics has prompted the investigation into new compounds for bacterial intervention to ensure efficient infection control in the future. One group of potential lead structures for antibiotics is antimicrobial peptides due to their characteristics as naturally derived compounds with antimicrobial activity. In this study, we aimed at characterizing the mechanism of action of a small set of in silico optimized peptides. Following determination of peptide activity against E. coli, S. aureus, and P. aeruginosa, toxicity was assessed revealing meaningful selectivity indexes for the majority of the peptides. Investigation of the peptides effect on bacteria demonstrated a rapid growth inhibition with signs of bacterial lysis together with increased bacterial size. Both visual and quantitative assays clearly demonstrated bacterial membrane disruption after 10 min for the most active peptides. The membrane disrupting effect was verified by measuring the release of calcein from bacterial mimicking liposomes. This revealed the most active peptides as inducers of immediate release, indicating the kinetics of membrane permeabilization as an important determinant of bacterial activity. No well‐defined secondary structure of the peptides could be determined using CD‐spectroscopy in the presence of different liposomes mixtures, implying that there is no correlation between peptide secondary structure and the observed anti‐bacterial and cytotoxic activity for this set of peptides. In conjunction, these findings provide strong indications of membrane disruption as the primary mechanism of bacterial growth inhibition for the tested peptides. © 2015 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 106: 172–183, 2016.
Meta-analysis of benefits of portal–superior mesenteric vein resection in pancreatic resection for ductal adenocarcinoma
Authors: Giovinazzo F , Turri G , Katz M H , Heaton N , Ahmed I
Published: December 2015

Background

Pancreatic ductal adenocarcinoma has a poor prognosis without surgery. No standard treatment has yet been accepted for patients with portal–superior mesenteric vein (PV-SMV) infiltration. The present meta-analysis aimed to compare the results of pancreatic resection with PV-SMV resection for suspected infiltration with the results of surgery without PV-SMV resection.

Methods

A systematic search was performed of PubMed, Embase and the Cochrane Library in accordance with PRISMA guidelines from the time of inception to 2013. The inclusion criteria were comparative studies including patients who underwent pancreatic resection with or without PV-SMV resection. One, 3- and 5-year survival were the primary outcomes.

Results

Twenty-seven studies were identified involving a total of 9005 patients (1587 in PV-SMV resection group). Patients undergoing PV-SMV resection had an increased risk of postoperative mortality (risk difference (RD) 0·01, 95 per cent c.i. 0·00 to 0·03; P = 0·02) and of R1/R2 resection (RD 0·09, 0·06 to 0·13; P < 0·001) compared with those undergoing standard surgery. One-, 3- and 5-year survival were worse in the PV-SMV resection group: hazard ratio 1·23 (95 per cent c.i. 1·07 to 1·43; P = 0·005), 1·48 (1·14 to 1·91; P = 0·004) and 3·18 (1·95 to 5·19; P < 0·001) respectively. Median overall survival was 14·3 months for patients undergoing pancreatic resection with PV-SMV resection and 19·5 months for those without vein resection (P = 0·063). Neoadjuvant therapies recently showed promising results.

Conclusion

This meta-analysis showed increased postoperative mortality, higher rates of non-radical surgery and worse survival after pancreatic resection with PV-SMV resection. This may be related to more advanced disease in this group.
Cistus creticus subsp. eriocephalus as a Model for Studying Plant Physiological and Metabolic Responses to Environmental Stress Factors
Authors: Paolessi Paola , Nicoletti Marcello , Catoni Rosangela , Puglielli Giacomo , Toniolo Chiara , Gratani Loretta
Published: December 2015

Variations in physiology and metabolic products of Cistus creticus subsp. eriocephalus along an altitudinal gradient (350–750 m.a.s.l.) within the Monti Lucretili Regional Natural Park (central Italy) were studied. The results showed that the phenol production was in relationship with the net photosynthetic rates and the chlorophyll content. In particular, the increasing caffeic acid (CA) content with altitude suggested its role in providing an additional photo‐protection mechanism, by its ability to consume photochemical reducing power and acting as an alternative C‐atom sink under high light conditions. The metabolic production was tested by high performance thin layer chromatography (HPTLC) fingerprint analysis, highlighting the potential of this technique in biologic studies.
Microbial Transformation of 14‐Anhydrodigoxigenin by Alternaria alternata
Authors: Liu Jimei , Tang Wanxia , Chen Ridao , Dai Jungui
Published: December 2015

The microbial transformation of 14‐anhydrodigoxigenin (1) by Alternaria alternata CGMCC 3.577 led to the production of seven new metabolites, 2–8. Their structures were determined by extensive spectroscopic (CD, IR, 1D‐ and 2D‐NMR, and HR‐ESI‐MS) data analyses. The reactions in the bioprocess exhibited diversity, including specific oxidation, hydroxylation, reduction, epoxidation, and dehydration. In addition, a hypothetical biocatalytic pathway is proposed.