bluuebunny/crossref_metadata_2025_split huggingface dataset:
Organische molekulare Gerüste mit extrinsischer Porosität: eine Plattform für die Kohlendioxid‐Abscheidung und Speicherung
Authors: Lü Jian , Cao Rong 
Published: July 2016

AbstractDas 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

AbstractIn 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

AbstractDie 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

AbstractThe 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

AbstractDie 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

AbstractThe 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

ABSTRACTThe 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

ABSTRACTAmylose 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

ABSTRACTFour 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

AbstractA 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 MessageThe 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

AbstractNile 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

AbstractThe 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

AbstractRecently, 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

AbstractDespite 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

AbstractG‐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

AbstractIn 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

AbstractIn 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.