bluuebunny/crossref_metadata_2025 huggingface dataset:
Efficient Synthesis of Unsaturated δ‐ and ε‐Lactones/Lactams by Catalytic Cycloisomerization: When Pt Outperforms Pd
Authors: Ke Diandian , Espinosa Noel Ángel , Mallet‐Ladeira Sonia , Monot Julien , Martin‐Vaca Blanca , Bourissou Didier
Published: July 2016

Platinum pincer complexes featuring an SCS indenediide backbone have been prepared and evaluated in the catalytic cycloisomerization of alkynoic acids and N‐tosyl alkynylamides. One of the platinum complexes significantly outperforms its palladium analogue for the formation of 6‐ and 7‐membered rings. The catalytic system takes advantage of the alkynophilicity of Pt and of the non‐innocent character of the indenediide framework. Like for Pd, the catalytic performance is significantly improved by using an H‐bond donor additive such as pyrogallol. For the first time, a large variety of ω‐unsaturated δ‐ and ε‐lactones/lactams could be prepared with high selectivities and in very good yields.

magnified image
Solution‐Processed Alkaline Lithium Oxide Dielectrics for Applications in n‐ and p‐Type Thin‐Film Transistors
Authors: Liu Ao , Liu Guoxia , Zhu Chundan , Zhu Huihui , Fortunato Elvira , Martins Rodrigo , Shan Fukai
Published: July 2016

High‐k alkaline lithium oxide (LiOx) thin films are fabricated by spin‐coating method. The LiOx thin films are annealed at different temperatures and characterized by various techniques. An optimized LiOx dielectric is achieved at an annealing temperature of 300 °C and exhibits wide bandgap of ≈5.5 eV, smooth surface, relatively permittivity of ≈6.7, and low leakage current density. The as‐fabricated LiOx thin films are integrated, as gate dielectrics, in both n‐channel indium oxide (In2O3) and p‐channel cupric oxide (CuO) transistors. The optimized In2O3/LiOx thin‐film transistor (TFT) exhibits high performance and high stability, such as Ion/Ioff of 107, electron mobility of 5.69 cm2 V−1 s−1, subthreshold swing of 70 mV dec−1, negligible hysteresis, and threshold voltage shift of 0.1 V under bias stress for 1.5 h. Meanwhile, the p‐channel CuO TFT based on LiOx dielectric shows high Ion/Ioff of 105 and hole mobility of 1.72 cm2 V−1 s−1. All the electrical performances are achieved at an ultra‐low operating voltage of 2 V. Considering the simple procedure, the moderate annealing temperature, and the low power consumption merits, these outstanding characteristics represent a significant advance toward the development of battery compatible and portable electronics.
High Performance OTFTs Fabricated Using a Calamitic Liquid Crystalline Material of 2‐(4‐Dodecyl phenyl)[1]benzothieno[3,2‐b][1]benzothiophene
Authors: He Yaowu , Sezen Melda , Zhang Dongwei , Li Aiyuan , Yan Lijia , Yu Hongtao , He Chao , Goto Osamu , Loo Yueh‐Lin , Meng Hong
Published: July 2016

An air‐stable calamitic liquid crystalline material, 2‐(4‐dodecyl phenyl)[1]benzothieno[3,2‐b]benzothiophene (C12‐Ph‐BTBT), is designed with a highly ordered smectic X (SmX) (X = K or H) phase demonstrating high charge‐carrier mobility and thermal stability in thin‐film transistors. Organic thin‐film transistors show mobilities as high as 8.7 cm2 V−1 s−1 when the C12‐Ph‐BTBT thin film is annealed at its SmX phase before the electrode deposition. Structural characterization reveals that the as‐deposited C12‐Ph‐BTBT thin films adopt a unilamellar structure. On the other hand, after polycrystalline thin films of C12‐Ph‐BTBT exhibit bilayer structure after annealing at the temperature of the SmX and the smectic E phases. The highest charge‐carrier mobility is observed when the C12‐Ph‐BTBT thin films are annealed at the SmX phase before the electrode deposition. The results give insight into the understanding of the nature of the mesophase behavior of liquid‐crystalline semiconductors and can aid the rational design of self‐organizing molecular semiconductors.
“It wasn't a disaster or anything”: Parents’ experiences of their child's uncertain chromosomal microarray result
Authors: Wilkins Ella J. , Archibald Alison D. , Sahhar Margaret A. , White Susan M.
Published: July 2016

Chromosomal microarray is an increasingly utilized diagnostic test, particularly in the pediatric setting. However, the clinical significance of copy number variants detected by this technology is not always understood, creating uncertainties in interpreting and communicating results. The aim of this study was to explore parents’ experiences of an uncertain microarray result for their child. This research utilized a qualitative approach with a phenomenological methodology. Semi‐structured interviews were conducted with nine parents of eight children who received an uncertain microarray result for their child, either a 16p11.2 microdeletion or 15q13.3 microdeletion. Interviews were transcribed verbatim and thematic analysis was used to identify themes within the data. Participants were unprepared for the abnormal test result. They had a complex perception of the extent of their child's condition and a mixed understanding of the clinical relevance of the result, but were accepting of the limitations of medical knowledge, and appeared to have adapted to the result. The test result was empowering for parents in terms of access to medical and educational services; however, they articulated significant unmet support needs. Participants expressed hope for the future, in particular that more information would become available over time. This research has demonstrated that parents of children who have an uncertain microarray result appeared to adapt to uncertainty and limited availability of information and valued honesty and empathic ongoing support from health professionals. Genetic health professionals are well positioned to provide such support and aid patients’ and families’ adaptation to their situation as well as promote empowerment. © 2016 Wiley Periodicals, Inc.
Increased bone turnover, osteoporosis, progressive tibial bowing, fractures, and scoliosis in a patient with a final‐exon SATB2 frameshift mutation
Authors: Boone Philip M. , Chan Yiu Man , Hunter Jill V. , Pottkotter Louis E. , Davino Nelson A. , Yang Yaping , Beuten Joke , Bacino Carlos A.
Published: July 2016

Haploinsufficiency of SATB2 causes cleft palate, intellectual disability with deficient speech, facial and dental abnormalities, and other variable features known collectively as SATB2‐associated syndrome. This phenotype was accompanied by osteoporosis, fractures, and tibial bowing in two previously reported adult patients; each possessed SATB2 mutations either predicted or demonstrated to escape nonsense‐mediated decay, suggesting that the additional bone defects result from a dominant negative effect and/or age‐dependent penetrance. These hypotheses remain to be confirmed, as do the specific downstream defects causing bone abnormalities. We report a SATB2 mutation (c.2018dupA; p.(H673fs)) in a 15‐year‐old patient whose SATB2‐associated syndrome phenotype is accompanied by osteoporosis, fractures, progressive tibial bowing, and scoliosis. As this homeodomain‐disrupting and predicted truncating mutation resides within the final exon of SATB2, escape from nonsense‐mediated decay is likely. Thus, we provide further evidence of bone phenotypes beyond those typically associated with SATB2‐associated syndrome in individuals with potential dominant‐negative SATB2 alleles, as well as evidence for age‐dependence of bone features. Elevations in alkaline phosphatase, urinary N‐telopeptide/creatinine ratio, and osteocalcin in the patient indicate increased bone turnover. We propose surveillance and treatment with osteoclast inhibitors to prevent fractures and to slow progressive bone deformities. © 2016 Wiley Periodicals, Inc.
Organische molekulare Gerüste mit extrinsischer Porosität: eine Plattform für die Kohlendioxid‐Abscheidung und Speicherung
Authors: Lü Jian , Cao Rong
Published: July 2016

Das Zusammenfügen poröser organischer molekularer Gerüste (“porous organic molecular frameworks”, POMFs), die unter praktischen Bedingungen erhältlich und regenerierbar sind, ist entscheidend für mögliche Anwendungen in Biologie, Medizin und Umwelttechnik, es bleibt aber eine Herausforderung für die modernen Materialwissenschaften. Der Aufbau gut organisierter POMFs über supramolekulare Wechselwirkungen ist noch nicht gut verstanden, wenn auch aktuell Fortschritte auf diesem Gebiet erzielt werden. Dieser Kurzaufsatz behandelt Ansätze dafür, mit einem besonderen Schwerpunkt auf dem Design der molekularen Bestandteile und den Strategien des Zusammenfügens. Wir blicken außerdem über das Gebiet fester POMF‐Materialien hinaus zu der Zusammenlagerung und Erkennung in Lösung, zu aktuellen Fortschritten mit POMFs über Materialdesign und Anwendungen bei der Kohlendioxid‐Abscheidung und Speicherung.
Oberflächen‐Dominoreaktion: Glaser‐Kupplung und dehydrierende Kupplung von Dicarbonsäuren unter Bildung eines polymeren Bisacylperoxids
Authors: Held Philipp Alexander , Gao Hong‐Ying , Liu Lacheng , Mück‐Lichtenfeld Christian , Timmer Alexander , Mönig Harry , Barton Dennis , Neugebauer Johannes , Fuchs Harald , Studer Armido
Published: July 2016

In dieser Zuschrift wird über die oxidative Homokupplung von 6,6′‐(1,4‐Buta‐1,3‐diinyl)‐bis(2‐naphthoesäure) (BDNS) unter Bildung eines Bisacylperoxids auf verschiedenen Au‐Oberflächen berichtet. Mithilfe dieser bisher unbekannten dehydrierenden Polymerisation von Dicarbonsäuren ist es möglich, lineare Poly‐BDNS‐Ketten mit einer Länge von über 100 nm erfolgreich herzustellen. Das BDNS‐Monomer kann zudem durch eine Glaser‐Kupplung von 6‐Ethinyl‐2‐naphthoesäure (ENS) in situ auf der Oberfläche hergestellt werden. Unter den Glaser‐Kupplungsbedingungen wird ebenfalls die direkte Polymerisation der BDNS initiiert. Dies stellt das erste Beispiel einer Dominoreaktion auf der Oberfläche dar. Darüber hinaus wird gezeigt, dass sich der Reaktionsverlauf durch die Oberflächentopographie und die Oberflächenbeladung gezielt variieren lässt, so dass entweder verzweigte Polymere, lineare Polymere oder Metall‐organische 2D‐Netzwerke entstehen.
Divergente Koordinationschemie: Parallele Synthese von [2×2]‐Eisen(II)‐Gitterkomplextautokonformeren
Authors: Schäfer Bernhard , Greisch Jean‐François , Faus Isabelle , Bodenstein Tilmann , Šalitroš Ivan , Fuhr Olaf , Fink Karin , Schünemann Volker , Kappes Manfred M. , Ruben Mario
Published: July 2016

Die Koordination eines Liganden L mit FeII‐Metallionen führt zum tautomeriegetriebenen Auftreten von Komplexität, welche sich in der parallelen Bildung von jeweils isomeren Tetrameren und Trimeren als Koordinationsprodukten zeigt. Die Molekülstruktur der zwei vorherrschenden isomeren [FeII4L4]8+‐Komplexe vom [2×2]‐Gittertypus wurde mittels Einzelkristallröntgenbeugung bestimmt. Die divergente Identität der Tautomeriekonformere wurde durch Ionenmobilitätsmassenspektrometrie bestätigt, und es konnte zusätzlich gezeigt werden, dass die beiden Isomere stark kontrastierende magnetische Eigenschaften (FeII‐Spinübergang vs. blockierter FeII‐High‐Spin‐Zustand) aufweisen. Die Ergebnisse zeigen, wie die Tautomerisierung eines homoditopen bis‐dreizähnigen Liganden durch die Koordination von Metallionen zu einer Akkumulation von Komplexität (d. h. für den vorliegenden Fall die parallele Bildung von isomeren, molekularen Strukturen) auf einer hierarchisch höheren Ebene (hier Gitterkomplexe mit unterschiedlichen physikalischen Eigenschaften) führt. Diese Ergebnisse sind von Bedeutung für das Verständnis der grundlegenden Vorgänge, die Komplexität auf molekularer Ebene in chemischen und biologischen Systemen generieren.
Stimuli‐Responsive Shape Switching of Polymer Colloids by Temperature‐Sensitive Absorption of Solvent
Authors: Wang Huaguang , Li Binghui , Yodh Arjun G. , Zhang Zexin
Published: July 2016

The dynamic manipulation of colloidal particle shape offers a novel design mechanism for the creation of advanced responsive materials. To this end, we introduce a versatile new strategy for shape control of anisotropic polymeric colloidal particles. The concept utilizes temperature‐sensitive absorption of a suitable solvent from a binary mixture. Specifically, increasing the temperature in the vicinity of the demixing transition of a binary mixture causes more solvent to be absorbed into the polymeric colloidal particle, which, in turn, lowers the glass transition temperature of the polymer inside the particle, with a concomitant decrease in viscosity. The balance between the internal viscosity and surface tension of the particle is thus disrupted, and the anisotropic shape of the particle shifts to become more spherical. Subsequent rapid temperature quenching can halt the process, leaving the particle with an intermediate anisotropy. The resultant shape anisotropy control provides new routes for studies of the phase transitions of anisotropic colloids and enables the fabrication of unique particles for materials applications.
Strukturelle Interpretation metastabiler Zustände in Myoglobin‐NO
Authors: Soloviov Maksym , Das Akshaya K. , Meuwly Markus
Published: July 2016

Die Bindung von Stickstoffmonoxid an Myoglobin (Mb) ist zentral für die Funktion des Proteins. Mit reaktiven Moleküldynamiksimulationen wird die Dynamik nach der NO‐Dissoziation untersucht. Die NO‐Rückbindung wird durch zwei Prozesse auf der 10‐ps‐ und 100‐ps‐Zeitskala beschrieben, was mit Experimenten im optischen und Röntgenbereich übereinstimmt. Dabei ist die explizite Behandlung der Bewegung des Eisenatoms orthogonal zur Häm‐Ebene (Fe‐oop) essenziell. Die Existenz eines transienten “Fe‐oop/NO‐gebundenen” Zustands, bei dem NO ca. 3 Å vom Eisenatom entfernt ist, wird bestätigt. Berechnete XANES‐Spektren zeigen, dass zwischen ungebundenem NO nahe oder weiter vom Häm‐Eisen entfernt nicht zu unterscheiden ist. Ein weiterer metastabiler Zustand (Fe‐ON) kann experimentell nicht beobachtet werden, da er vom dissoziativen 4A‐Zustand verdeckt wird. Dies macht Fe‐ON zu einem lokalen Minimum, das im Wildtyp‐Mb nicht beobachtet werden kann, in mutiertem Mb jedoch stabilisiert werden könnte.
Porous Organic Molecular Frameworks with Extrinsic Porosity: A Platform for Carbon Storage and Separation
Authors: Lü Jian , Cao Rong
Published: July 2016

The assembly of porous organic molecular frameworks (POMFs), which typically evidence common feasibility and compatibility, purification, and regeneration at practical conditions, remains a strategic challenge in modern materials science and is crucial for their favorable applications in biological, medical, and environmental realms. However, instructive knowledge of well‐organized POMF assembly by supramolecular interactions is, in general, ambiguous to date. Nevertheless, a significant advance in controlled POMF assembly has been recently achieved. This Minireview highlights these approaches, with a particular focus on the design of molecular constituents and assembly strategies. We also look beyond the field of solid‐state POMF materials into the assembly and recognition in solution, thus covering recent advances in POMFs based on material design and applications in carbon storage and separation.
Redox active and inactive binuclear cobalt(II) and zinc(II) complexes with N6O/N3O coordinating ligands: synthesis, biological activities and cytotoxicity
Authors: Li Dong‐Dong , Zhang Na , Yang Zi‐bo , Tao Zun‐Wei
Published: July 2016

Four complexes, namely [Zn2L1(OAc)2](PF6) (1); [Zn2L1(OAc)2](BPh4) (2); [Co2L1Cl2](PF6) (3); and [Zn2L2(PhCOO)2Cl] (4) (L1 = 2,6‐bis(((2‐(dimethylamino)ethyl)(pyridine‐2‐ylmethyl)amino)methyl)‐4‐methoxyphenol; L2 = 2‐(((2‐(dimethylamino)ethyl)(pyridin‐2‐ylmethyl)amino)methyl)‐4‐methoxyphenol), have been synthesized. Single‐crystal diffraction reveals that the metal atoms in the four complexes are in different coordination environments. The interactions of the complexes with calf thymus DNA (CT‐DNA) have been investigated using UV absorption, fluorescence and circular dichroism spectroscopies and viscosity measurements, and the modes of CT‐DNA binding for the complexes have been proposed. Further experiments show that the Zn(II)/H2O2 system displays significant oxidative cleavage of supercoiled DNA attributed to the peroxide ion coordinated to the Zn(II) ions enhancing their nucleophilicity. This is a rare phenomenon. DNA cleavage mechanism shows that the complexes examined here may be capable of promoting DNA cleavage through an oxidative DNA damage pathway, which is indicative of the involvement of singlet oxygen in the cleavage process. In vitro cytotoxicity of complexes against three human tumor cell lines (HeLa, MCF‐7 and HepG2) demonstrates that these complexes have the potential to act as effective metal‐based anticancer drugs. Copyright © 2016 John Wiley & Sons, Ltd.
Dynamics of migration and phase selective localization of nanoclay in HNBR/ENR blends
Authors: Ali Zulfiqar , Le Hai Hong , Iqbal Javed , Hussain Murid , Hussain Hazrat , Mahmood Nasir , Nawaz Khan Ahmad , Radusch HansJoachim
Published: July 2016

The phase specific selective localization and dynamics of migration of nanoclay in hydrogenated acrylonitrile butadiene rubber (HNBR)/epoxidized natural rubber (ENR) blend systems is investigated. The phase specific dispersion of clay particles is monitored through measuring the online measured electrical conductance (OMEC) during mixing by means of a sensor system installed inside the chamber of an internal mixer. The results of different characterization techniques, such as atomic force microscopy, transmission electron microscopy, and small angle X‐ray scattering have been used to understand and interpret the OMEC behaviors of nanoclay‐filled rubber compounds individually (HNBR and ENR) and their blend systems. The observed online conductance is ionic in nature that arises due to the release of surfactant molecules from the clay galleries. It is observed that the OMEC behavior depends mainly on two factors: the localization of nanoclay in specific phase of the blend system and on the gradual development of blend morphology. The OMEC behavior and the supported data from the microscopic methods, clearly reveal the migration of organoclay from the ENR to HNBR phase during the mixing process, particularly localizing near the interface of the blend. Further, the localization of organoclay is also evaluated by applying the surface tension measurements based model, which also predicts the favorable localization of organoclay in HNBR phase of the blend. The work clearly suggests the OMEC method to be a powerful online tool to monitor and control the nanoclay dispersion and localization in rubber based nanocomposites during the melt mixing process. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 44074.
Poly(vinyl alcohol) composite films with high percent elongation prepared from amylose‐fatty ammonium salt inclusion complexes
Authors: Fanta George F. , Felker Frederick C. , Selling Gordon W. , Hay William T. , Biswas Atanu
Published: July 2016

Amylose inclusion complexes prepared from cationic fatty ammonium salts and jet‐cooked high amylose starch were combined with poly(vinyl alcohol) (PVOH) to form glycerol‐plasticized films. For the octadecylammonium salt complexes, elongation was significantly higher than the PVOH control when the amount of complex incorporated was from 20% to 70%. For the dodecyl‐ and hexadecylammonium salt complexes, elongation was significantly higher than PVOH films for 20% to 40% incorporation of cationic complex. Tensile strength declined with increasing levels of amylose‐ammonium salt complex, and surface hydrophobicity (contact angle) was significantly higher than PVOH films. Microscopy showed no phase separation or phase inversion, suggesting intimate mixing due to ionic interactions between cationic ammonium salt complexes and the hydroxyl groups of PVOH. The high elongations of these films and increased water contact angles are marketable advantages, along with the lower cost and increased biodegradability of the starch‐based component. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 44110.
Dynamic mechanical and shape memory properties of polybenzoxazines based on aminopropyl‐terminated siloxanes
Authors: Su Xuehui , Song Shuning , Zhang Chunhui , Huang Jinbai , Liu Yanfang , Run Mingtao , Wu Yonggang
Published: July 2016

Four siloxane‐containing benzoxazine monomers and telechelic benzoxazine oligomers were synthesized from 1,3‐bis(3‐aminopropyl)‐1,1,3,3‐tetramethyldisiloxane, α,ω‐bis(3‐aminopropyl)polydimethylsiloxane, phenol, o‐allylphenol, and formaldehyde. The length of the siloxane segment affects the polymerization reaction of the benzoxazine monomers and telechelic benzoxazine oligomers. The dynamic mechanical properties of the corresponding polybenzoxazines depend primarily on the structure of phenol and the length of the siloxane segment. The polybenzoxazines exhibit one‐way dual‐shape memory behavior in response to changes in temperature. The thermally induced shape memory effects of the polybenzoxazines were characterized by bending and tensile stress–strain tests with a temperature program based on their glass transition temperatures. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 44121.
Characterization of a cold‐adapted esterase and mutants from a psychotolerant Pseudomonas sp. strain
Authors: Dong Juan , Gasmalla Mohammed A. A. , Zhao Wei , Sun Jingtao , Liu Wenyu , Wang Mingming , Han Liang , Yang Ruijin
Published: July 2016

A cold‐adapted esterase‐producing strain named T1‐39 was isolated from Glacier No. 1, Tianshan, People's Republic of China and identified as Pseudomonas sp. from 16S rRNA sequence analysis. The esterase (EstT1‐39) secreted by this strain preferentially hydrolyzed esters of glycerol with short‐ and medium‐chain fatty acids. Mutants of T1‐39 were generated by the atmospheric and room temperature plasma method and screened for enhanced esterase activity. Among all the mutants, strain TB11 had 4.45‐fold higher esterase productivity than T1‐39, with high genetic stability over 10 generations of continuous cultivation. Maximum activity of EstT1‐39 and EstTB11 was observed at 30 ℃, pH 9.0 and 25 ℃, pH 8.5, respectively. EstTB11 was thermally more stable (50 ℃ for 1 H) and active over a broader pH range than EstT1‐39. EstTB11 also retained 38% of its maximal activity at 0 ℃ and was found to be able to hydrolyze milk fats into short‐ and medium‐chain fatty acids at 4 ℃. The characteristics of EstT1‐39 made it a cold‐adapted enzyme and the EstTB11 from the mutant, with its higher activity at lower temperatures, may be suitable for the production of aromas and flavors in the dairy industry.
Association of a congenital long QT syndrome type 1 with Takotsubo cardiomyopathy
Authors: El‐Battrawy Ibrahim , Behnes Michael , Borggrefe Martin , Akin Ibrahim
Published: July 2016

Key Clinical Message

The occurrence of takotsubo cardiomyopathy in a patient with congenital long QT syndrome has rarely been described. This case report discusses the occurrence of a clinically overt takotsubo cardiomyopathy accompanied by congenital long QT syndrome type 1 in a female patient.
Nile Red and Nile Blue: Applications and Syntheses of Structural Analogues
Authors: Martinez Vincent , Henary Maged
Published: July 2016

Nile red and Nile blue are highly fluorescent and photostable organic dyes from the benzo[a]phenoxazine family. They have been used as histological stains for imaging lysosomes and lipids in vitro. The dyes’ high quantum yields and solvent‐dependent optical properties make them ideal scaffolds for the development of pH probes and local polarity indicators. Reviews of the literature in this area are scarce with only one review ever published in 2006. It has been 10 years since and the field has evolved. This review aims to expand upon topics covered by the previous reviewers and to report on recent advances in the literature. As authors, we hope to convey a sense of scope and to spark renewed interest in this useful niche of dye chemistry.
N‐(2‐Ethylhexyl)carbazole: A New Fluorophore Highly Suitable as a Monomolecular Liquid Scintillator
Authors: Montbarbon Eva , Sguerra Fabien , Bertrand Guillaume H. V. , Magnier Élodie , Coulon Romain , Pansu Robert B. , Hamel Matthieu
Published: July 2016

The synthesis, photophysical properties, and applications in scintillation counting of N‐(2‐ethylhexyl)carbazole (EHCz) are reported. This molecule displays all of the required characteristics for an efficient liquid scintillator (emission wavelength, scintillation yield), and can be used without any extra fluorophores. Thus, its scintillation properties are discussed, as well as its fast neutron/gamma discrimination. For the latter application, the material is compared with the traditional liquid scintillator BC‐501 A, and other liquid fluorescent molecules classically used as scintillation solvents, such as xylene, pseudocumene (PC), linear alkylbenzenes (LAB), diisopropylnaphthalene (DIN), 1‐methylnaphthalene (1‐MeNapht), and 4‐isopropylbiphenyl (iPrBiph). For the first time, an excimeric form of a molecule has been advantageously used in scintillation counting. A moderate discrimination between fast neutrons and gamma rays was observed in bulk EHCz, with an apparent neutron/gamma discrimination potential half of that of BC‐501 A.
Synthesis and Evaluation of [18F]‐Ammonium BODIPY Dyes as Potential Positron Emission Tomography Agents for Myocardial Perfusion Imaging
Authors: Chansaenpak Kantapat , Wang Hui , Wang Mengzhe , Giglio Benjamin , Ma Xiaofeng , Yuan Hong , Hu Shuo , Wu Zhanhong , Li Zibo
Published: July 2016

Recently, we demonstrated the potential of a [18F]‐trimethylammonium BODIPY dye for cardiac imaging. This is the first example of the use of the [18F]‐ammonium BODIPY dye for positron emission tomography (PET) myocardial perfusion imaging (MPI). In this report, we extend our study to other ammonium BODIPY dyes with different nitrogen substituents. These novel ammonium BODIPY dyes were successfully prepared and radiolabeled by the SnCl4‐assisted 18F–19F isotopic exchange method. The microPET results and the biodistribution data reveal that nitrogen substituent changes have a significant effect on the in vivo and pharmacological properties of the tracers. Of the novel [18F]‐ammonium BODIPY dyes prepared in this work, the [18F]‐dimethylethylammonium BODIPY is superior in terms of myocardium uptake and PET imaging contrast. These results support our hypothesis that the ammonium BODIPY dyes have a great potential for use as PET/optical dual‐modality MPI probes.
Challenges in Catalytic Hydrophosphination
Authors: Bange Christine A. , Waterman Rory
Published: July 2016

Despite significant advances, metal‐catalyzed hydrophosphination has ample room for discovery, growth, and development. Many of the key successes in metal‐catalyzed hydrophosphination over the last decade have indicated what is needed and what is yet to come. Reactivity that is absent from the literature also speaks to the challenges in catalytic hydrophosphination. This Concept article discusses and highlights recent developments that address the ongoing challenges, and identifies areas in metal‐catalyzed hydrophosphination that are underdeveloped. Advances in product selectivity, catalyst design, and both unsaturated and phosphine substrates illustrate the ongoing development of the field. Like all catalytic transformations, the benefits are realized through catalyst, ligand, and conditions, and consideration of those features are the route to a yet more efficient and broadly applicable reaction.
A Flexible Terpyridine Derivative Interacts Specifically with G‐Quadruplexes
Authors: De Rache Aurore , Gueddouda Nassima Meriem , Bourdoncle Anne , Hommes Paul , Reissig Hans‐Ulrich , Mergny Jean‐Louis
Published: July 2016

G‐quadruplexes formed by nucleic acids are implicated in pathologies ranging from cancers to neurodegenerative diseases. We evaluated interactions of 29 bi‐ and terpyridine derivatives with G‐quadruplexes and duplexes. FRET‐melting, circular dichroism, and 1H NMR spectroscopy showed that one terpyridine derivative interacted very selectively with G‐quadruplexes. This G‐quadruplex ligand inhibited helicase activity and should influence G‐quadruplex‐related biological processes.
COREDIV and SOLPS Numerical Simulations of the Nitrogen Seeded JET ILW L‐mode Discharges
Authors: Ivanova‐Stanik I. , Aho‐Mantila L. , Wischmeier M. , Zagörski R. , JET contributors
Published: July 2016

In this paper we present the comparison of simulations with the numerical codes COREDIV and SOLPS5.0 for JET L‐mode discharges with ITER like wall (ILW). The simulations have been performed for L‐mode shots with and without nitrogen seeding (#82291 ‐ 9) which are characterised by relatively low auxiliary heating power (PNBI = 1.1 MW) and low electron density (ne = 2.35 × 1019 m–3). Comparisons are made to the experimental measurements (e.g. radiation levels, plasma profiles) and the differences between the results from the two codes (e.g. temperature and density profiles at the outer divertor plate) are shown and discussed.
Modelling of the JET DT Experiments in Carbon and ITER‐like Wall Configurations
Authors: Zagörski R. , Stȩpniewski W. , Ivanova‐Stanik I. , Brezinsek S. , JET contributors
Published: July 2016

In this paper numerical simulations with the self‐consistent COREDIV code of the planned JET DT experiments have been performed. First, record shot from the 1997 experiments was simulated and good agreement with experimental data has been found. Direct extrapolation of the carbon wall results to the new ILW configuration (discharge parameters as for the shot #42746) shows very good core plasma performance with even higher fusion power but with too large power to the divertor. However, with the neon seeding the heat load and plate temperatures can be efficiently reduced keeping good the plasma performance. Investigations have been done also for the planned DT operation scenario based on a conventional ELMy H‐mode at high plasma current and magnetic field. Simulations for the reference ELMy H‐mode shot #87412 show good agreement with the experimental data but the direct extrapolation of the DD results to deuterium‐tritium operation shows relatively poor performance in terms of the achieved fusion power. The situation improves, if the highest heating power is assumed (41 MW) and fusion powers in the excess of 12 MW can be achieved. All the high performance shots require the heat load control by neon seeding which shows rather beneficial effect on the plasma performance allowing for relatively wide operational window in terms of the amount of the allowed neon influx.
Thirty‐five years of CD4 T‐cell counting in HIV infection: From flow cytometry in the lab to point‐of‐care testing in the field
Authors: Kestens L. , Mandy F.
Published: July 2016

CD4 T‐cell counting was introduced in clinical laboratories shortly after the discovery of the human immune deficiency virus (HIV) in the early eighties. In western clinical laboratories, improvements in the CD4 T‐cell counting methods were mainly driven by progress in the field of flow cytometry and immunology. In contrast, the development of dedicated CD4 T‐cell counting technologies were needs driven. When antiretroviral treatment (ART) was made available on a large scale by international Acquired Immune Deficiency Syndrome (AIDS) relief programs to HIV+ patients living in low income countries in 2003, there was a distinct need for simplified and affordable CD4 T‐cell counting technologies. The first decade of 2000, several compact flow cytometers appeared on the market, mainly to the benefit of low income countries with limited resources. More recently, however, portable point‐of‐care (POC) CD4 T‐cell counting devices have been developed especially to improve access to affordable monitoring of HIV+ patients in low income countries. The accuracy of these POC instruments is not yet very well documented as many are still under development and clinical validation but preliminary evidence is encouraging. The new HIV treatment guidelines released by the World Health Organization in 2016 give CD4 T‐cell counting a less central role in the management of HIV infection. It is, therefore, to be expected that CD4 T‐cell counting will be phased out as a tool to assess eligibility of HIV+ patients for ART in the future. However, CD4 T‐cell counting will remain a valuable tool for directing treatment against opportunistic infections. © 2016 International Clinical Cytometry Society
Unexpectedly complex gradation of coral population structure in the Nansei Islands, Japan
Authors: Zayasu Yuna , Nakajima Yuichi , Sakai Kazuhiko , Suzuki Go , Satoh Noriyuki , Shinzato Chuya
Published: July 2016

To establish effective locations and sizes of potential protected areas for reef ecosystems, detailed information about source and sink relationships between populations is critical, especially in archipelagic regions. Therefore, we assessed population structure and genetic diversity of Acropora tenuis, one of the dominant stony coral species in the Pacific, using 13 microsatellite markers to investigate 298 colonies from 15 locations across the Nansei Islands in southwestern Japan. Genetic diversity was not significant among sampling locations, even in possibly peripheral locations. In addition, our results showed that there are at least two populations of A. tenuis in the study area. The level of genetic differentiation between these populations was relatively low, but significant between many pairs of sampling locations. Directions of gene flow, which were estimated using a coalescence‐based approach, suggest that gene flow not only occurs from south to north, but also from north to south in various locations. Consequently, the Yaeyama Islands and the Amami Islands are potential northern and southern sources of corals. On the other hand, the Miyako Islands and west central Okinawa Island are potential sink populations. The Kerama Islands and the vicinity of Taketomi Island are potential contact points of genetic subdivision of coral populations in the Nansei Islands. We found that genetic population structure of A. tenuis in the Nansei Islands is more complex than previously thought. These cryptic populations are very important for preserving genetic diversity and should be maintained.
Coping with potential bi‐parental inbreeding: limited pollen and seed dispersal and large genets in the dioecious marine angiosperm Thalassia testudinum
Authors: Van Tussenbroek Brigitta Ine , Valdivia‐Carrillo Tania , Rodríguez‐Virgen Irene Teresa , Sanabria‐Alcaraz Sylvia Nashieli Marisela , Jiménez‐Durán Karina , Van Dijk Kor Jent , Marquez‐Guzmán Guadalupe Judith
Published: July 2016

The high prevalence of dioecy in marine angiosperms or seagrasses (>50% of all species) is thought to enforce cross‐fertilization. However, seagrasses are clonal plants, and they may still be subject to sibling‐mating or bi‐parental inbreeding if the genetic neighborhood is smaller than the size of the genets. We tested this by determining the genetic neighborhoods of the dioecious seagrass Thalassia testudinum at two sites (Back‐Reef and Mid‐Lagoon) in Puerto Morelos Reef Lagoon, Mexico, by measuring dispersal of pollen and seeds in situ, and by fine‐scale spatial autocorrelation analysis with eight polymorphic microsatellite DNA markers. Prevalence of inbreeding was verified by estimating pairwise kinship coefficients; and by analysing the genotypes of seedlings grown from seeds in mesocosms. Average dispersal of pollen was 0.3–1.6 m (max. 4.8 m) and of seeds was 0.3–0.4 m (max. 1.8 m), resulting in a neighborhood area of 7.4 m2 (range 3.4–11.4 m2) at Back‐Reef and 1.9 (range 1.87–1.92 m2) at Mid‐Lagoon. Neighborhood area (Na) derived from spatial autocorrelation was 0.1–20.5 m2 at Back‐Reef and 0.1–16.9 m2 at Mid‐Lagoon. Maximal extensions of the genets, in 19 × 30 m plots, were 19.2 m (median 7.5 m) and 10.8 m (median 4.8 m) at Back‐Reef and Mid‐Lagoon. There was no indication of deficit or excess of heterozygotes nor were coefficients of inbreeding (FIS) significant. The seedlings did not show statistically significant deficit of heterozygotes (except for 1 locus at Back‐Reef). Contrary to our expectations, we did not find evidence of bi‐parental inbreeding in this dioecious seagrass with large genets but small genetic neighborhoods. Proposed mechanisms to avoid bi‐parental inbreeding are possible selection against homozygotes during fecundation or ovule development. Additionally, the genets grew highly dispersed (aggregation index Ac was 0.09 and 0.10 for Back‐Reef and Mid‐Lagoon, respectively); such highly dispersed guerrilla‐like clonal growth form likely increases the probability of crossing between different potentially unrelated genets.
Long‐term outcome and its predictors in giant cell myocarditis
Authors: Ekström Kaj , Lehtonen Jukka , Kandolin Riina , Räisänen‐Sokolowski Anne , Salmenkivi Kaisa , Kupari Markku
Published: July 2016

Aims

There are no studies focusing on prognostic factors in giant cell myocarditis (GCM). We aimed to identify predictors of transplant‐free survival in GCM.

Methods and results

We analysed the details of 46 patients with GCM (31 women, mean age 51 ± 12 years) seen at our hospital since 1991 and followed for the occurrence of cardiac death or transplantation till May 2015. The association of transplant‐free survival with patient characteristics, laboratory data on admission, and myocardial histology in the 38 patients diagnosed prior to death or transplantation was examined. Altogether 26 patients died (n = 8) or underwent transplantation (n = 18) a median of 11 months following symptom onset. The 5‐year estimate of transplant‐free survival was 42% [95% confidence interval (CI) 35–48%]. By Cox regression analysis, the hazard ratio for death or transplantation was 0.87 (95% CI 0.75–0.99) per +5% difference in LVEF, 1.06 (95% CI 1.03–1.10) per + 1000 ng/L difference in NT‐proBNP, and 4.57 (95% CI 1.63–11.28) for cardiac troponin‐T above the median of 85 ng/L at presentation. The severity of necrosis and fibrosis in myocardial biopsy, graded by the consensus of two cardiac pathologists as none, mild, moderate, or severe, predicted the outcome with a hazard ratio of 7.17 (95% CI 2.29–22.40) for the presence of either necrosis or fibrosis of at least moderate extent.

Conclusions

In GCM, the probability of transplant‐free survival is 42% at 5 years from symptom onset. Markers of myocyte injury and cardiac dysfunction help predict the outcome.
Copper(I) Thiolate Heteroadamantane Cage Structures with Relevance to Metalloproteins
Authors: Oppermann Alexander , Dick Regina , Wehrhahn Christoph , Flörke Ulrich , Herres‐Pawlis Sonja , Henkel Gerald
Published: July 2016

Cu–S heteroadamantanes are of great interest owing to their relevance to bioproteins. New copper(I) thiolate compounds with additional N‐donor functions from phenanthroline ligands have been synthesised. These complexes feature heteroadamantane cage structures with minor deviations in their construction and, therefore, a strong structural relationship. Furthermore, a decanuclear copper–sulfur cluster complex was isolated and shows known structural motifs arranged in a new fashion. Metallothioneins are natural counterparts to these complexes due to their thiolate‐rich and polynuclear d10 character. In addition to the structural characterisation, theoretical studies with a triple‐zeta basis set have been performed to further understand the building patterns of the reported complexes and their relevance to copper‐rich metalloproteins. This includes a Wiberg bond analysis and a full orbital analysis of selected heteroadamantanes to highlight the bonding interactions that connect the copper–sulfur skeletons.
Synthesis of Benzothiophene‐Containing 10‐ and 11‐Membered Cyclic Phostones
Authors: Matralis Alexios N. , Tsantrizos Youla S.
Published: July 2016

Phosphinate and phosphonate derivatives can serve as useful transition‐state analogues of proteases, as substrate mimics of DNA/RNA‐processing enzymes, and as inhibitors of enzymes catalyzing the biosynthesis of isoprenoids. Synthetic methodologies for the preparation of medium‐sized ring phosphonate‐containing compounds (also known as phostones) are currently limited to a few examples. A synthetic protocol was developed that is amenable to the parallel synthesis of structurally diverse phostones containing a benzo[b]thiophene core, which enables the profiling of such novel compounds in biological screens of potential therapeutic targets.
NaNO2/I2‐Mediated Regioselective Synthesis of Nitrosoimidazoheterocycles from Acetophenones by a Domino Process
Authors: Mukhopadhyay Sushobhan , Dighe Shashikant U. , Kolle Shivalinga , Shukla Praveen K. , Batra Sanjay
Published: July 2016

A regioselective synthesis of nitrosoimidazoheterocycles from the reaction of 2‐aminopyridines and acetophenones in the presence of NaNO2 and I2 is described. The reaction is suggested to proceed by a domino process involving sequential imine formation, iodination, iodide displacement by the nitro group, and finally intramolecular cyclization. Reaction of these 3‐nitrosoimidazo[1,2‐a]pyridines with aldehydes in the presence of Fe/AcOH furnished 5‐substituted pyrido[2′,1′:2,3]imidazo[4,5‐c]isoquinolines by reduction of the nitroso group followed by a Pictet–Spengler reaction in one pot. The synthesized compounds were assessed for their antibacterial and antifungal activities.
Catalytic Fast Pyrolysis: Influencing Bio‐Oil Quality with the Catalyst‐to‐Biomass Ratio
Authors: Paasikallio Ville , Kalogiannis Konstantinos , Lappas Angelos , Lehto Jani , Lehtonen Juha
Published: July 2016

In situ catalytic fast pyrolysis can be used to produce partially upgraded bio‐oils. This process, however, suffers from rapid catalyst deactivation caused by coke formation, which necessitates the use of continuous catalyst regeneration. This can be achieved by using a circulating fluidized‐bed reactor. In such a reactor, one key operational variable is the catalyst‐to‐biomass (C/B) ratio, which influences the extent of the catalytic reactions that take place. In this study, woody biomass is pyrolyzed in a pilot‐scale circulating fluidized‐bed reactor system using a HZSM‐5 zeolite with varying C/B ratios. The C/B ratio influences the overall product distribution, the elemental distribution, and the characteristics of the liquid products. An increase of the C/B ratio enhances the conversion of pyrolysis vapors but this does not result in a continuous improvement in bio‐oil quality. The C/B ratio is, nevertheless, a factor that can be used to optimize the catalytic fast pyrolysis process.
γ‐Alumina Nanorod/Reduced Graphene Oxide as Support for Poly(ethylenimine) to Capture Carbon Dioxide from Flue Gas
Authors: Bhowmik Koushik , Chakravarty Amrita , Bysakh Sandip , De Goutam
Published: July 2016

The synthesis of a mesoporous γ‐Al2O3 nanorod/reduced graphene oxide (γ‐Al2O3NR/RGO) composite with a higher surface area and thermal conductivity than unmodified γ‐Al2O3 has been accomplished, and these materials were characterized in detail. The composite was used successfully as a support for poly(ethylenimine) (PEI) to capture CO2 at high temperature. The PEI‐modified composite (γ‐Al2O3NR/RGO/PEI) showed an excellent CO2 adsorption from simulated flue gas at 75 °C and complete desorption at 100 °C with recyclability. The maximum CO2 adsorption capacity of this material was 200.6 mg gPEI−1 (1.14 mmol CO2 gadsorbent−1) with an amine efficiency of 0.22, which is higher than that of bare γ‐Al2O3/PEI. As a result of its high thermal conductivity, the overheating of the adsorbent during exothermic CO2 adsorption by PEI was restricted and as a result the thermal degradation of PEI was prevented. Accordingly, the adsorption capacity of γ‐Al2O3NR/RGO/PEI does not deteriorate like that of bare γ‐Al2O3/PEI during repeated CO2 adsorption–desorption cycles.
High‐resolution seismic monitoring of instrumented buildings using a model‐based state observer
Authors: Erazo K. , Hernandez E. M.
Published: July 2016

This paper proposes a model‐based state observer to perform high‐definition response estimation in partially instrumented building structures. The proposed estimator is verified in a simulated five‐story shear‐building structure and validated using measurements from a seven‐story reinforced concrete building slice tested at the NEES‐University of California at San Diego shake table. In both cases the proposed estimator yielded satisfactory results by estimating the time history of shear forces, bending moments, displacements, and strains at various points/sections of interest. The proposed algorithm can be used in instrumented buildings for various practical applications such as post‐earthquake damage assessment, structural control, and building code calibration. Copyright © 2016 John Wiley & Sons, Ltd.
The emergence of operator‐neutral small cells as a strong case for cloud computing at the mobile edge
Authors: Giannoulakis I. , Kafetzakis E. , Trajkovska I. , Khodashenas P. S. , Chochliouros I. , Costa C. , Neokosmidis I. , Bliznakov P.
Published: July 2016

Small cells have emerged as a useful tool for supporting increased network capacity through network densification, but they can also be used to support edge cloud computing services. In this paper, we provide a preview of an innovative concept that tackles the consolidation of multi‐tenancy in such type communications infrastructures, as well as the placement of network intelligence and applications in the network edge. After surveing the challenges and the enabling technologies, we present the envisaged architecture to manage and control the Cloud‐Enabled Small Cell infrastructure. Also, at the operation level, we explain the potential advantages of adopting the proposed solutions on the long‐term evolution access networks. Copyright © 2016 John Wiley & Sons, Ltd.
Antioxidant synergism and antagonism between selected monoterpenes using the 2,2‐diphenyl‐1‐picrylhydrazyl method
Authors: Ciesla Lukasz M. , Wojtunik‐Kulesza Karolina A. , Oniszczuk Anna , Waksmundzka‐Hajnos Monika
Published: July 2016

This research aims to investigate synergistic and antagonistic antioxidant interactions for binary mixtures of common monoterpenes. The activity was determined spectrophotometrically with the use of the DPPH• assay. Significant antioxidant synergism, between two different monoterpenes, was observed for a mixture of inactive p‐cymene and one of the compounds, characterized by moderate antioxidant activity, e.g. (±)‐citronellal, α‐phellandrene or α‐terpinene. It has been proven that the activity of (±)‐citronellal is increased in the presence of hydrocarbons possessing the aromatic nucleophilic ring, which may react with electrophiles. A possible reaction mechanism was proposed for the synergistic antioxidant effect of p‐cymene and (±)‐citronellal. This research opens new perspectives for studying interactions between isoprene derivatives, found in essential oils. Copyright © 2016 John Wiley & Sons, Ltd.
Vom narrativen Selbst
Authors: Axmacher Nikolai
Published: July 2016

Wie unbewusste neuropsychische Prozesse unser Denken, Fühlen und Handeln steuern — dieser grundlegenden Frage geht die „Neuropsychoanalyse”︁ auf innovative Weise nach. Was die Verschränkung geistes‐ und naturwissenschaftlicher Ansätze ermöglicht, zeigen Studien zu autobiografischem Gedächtnis, innerer Konfliktverarbeitung und Identitätsbildung.
Ménage à trois
Authors: Dörner Reinhard
Published: July 2016

Efimov‐Zustände: Teilchen, die nicht auseinanderdriften, sondern hoch zerbrechliche, aber stabile Bindungen eingehen? Was lange eher akademische Spielerei schien, haben Experimentalphysiker nun im Labor nachweisen können — ein grundlegender Einblick in die Materie und ein Musterbeispiel für risikoreiche Forschung positiver Art.
„It's a Family Issue!”︁
Authors: Heinemann Isabel
Published: July 2016

Auch in der US‐amerikanischen Gesellschaft führte der soziale Wandel von der traditionellen Kernfamilie zu diverseren Formen von Familie, Vaterschaft und Mutterschaft. Doch linear verlief der viel zitierte Wertewandel in der Familie und bei den Geschlechterrollen nicht — neue Forschungen zeichnen ein Bild mit Licht‐ und Schattenseiten.