bluuebunny/crossref_metadata_2025_split huggingface dataset:
Classification of tRNA isoacceptor sequences by using graph‐based molecular descriptors
Authors: Ari Eszter , Jakó Éena 
Published: February 2016

AbstractA discrete mathematical method, Boolean analysis (or BOOL‐AN), was used for evaluating of functional relationships within and between the families of transfer RNA sequences. The binary encoded sequence information of each transfer RNA was transformed into a compact analytical form, called the Iterative Canonical Form (ICF) of Boolean functions. This canonical form can also be represented as a non‐complete bipartite graph and used then as a generalized molecular descriptor. What is important ICF graphs can be derived without restrictions concerning the number of nodes. Besides, the proposed molecular descriptors are unique, compact, and complete, allowing sequence reconstruction without loss of information. The method provides raw vector data for calculating distance matrices by using different metrics. In turn, the calculated distances can be analyzed by neighbor‐joining or by unweighted pair group method to derive a tree, or by principal coordinates analysis to obtain a multidimensional scaling plot. The ability to arrange the functionally identical tRNA isoacceptors into exclusive groups, reflecting the relationships between 22 tRNA sets with different amino acid specificities, was tested on tRNA genes of Escherichia coli. Performance of the BOOL‐AN was compared with other methods, including standard phylogenetic approaches and distance calculations, based on DNA sequences and chemical indices. The results of classification are represented by trees. We conclude that ICF‐graph distance calculations and the BOOL‐AN software were able to derive the most consistent tree for tRNA isoacceptors in comparison with other methods. Copyright © 2016 John Wiley & Sons, Ltd.
Anion Sensors as Logic Gates: A Close Encounter?
Authors: Madhuprasad  , Bhat Mahesh P. , Jung Ho‐Young , Losic Dusan , Kurkuri Mahaveer D. 
Published: February 2016

AbstractComputers have become smarter, smaller, and more efficient due to the downscaling of silicon‐based components. Top‐down miniaturisation of silicon‐based computer components is fast reaching its limitations because of physical constraints and economical non‐feasibility. Therefore, the possibility of a bottom‐up approach that uses molecules to build nano‐sized devices has been initiated. As a result, molecular logic gates based on chemical inputs and measurable optical outputs have captured significant attention very recently. In addition, it would be interesting if such molecular logic gates could be developed by making use of ion sensors, which can give significantly sensitive output information. This review provides a brief introduction to anion receptors, molecular logic gates, a comprehensive review on describing recent advances and progress on development of ion receptors for molecular logic gates, and a brief idea about the application of molecular logic gates.
Monosaccharides as Versatile Units for Water‐Soluble Supramolecular Polymers
Authors: Leenders Christianus M. A. , Jansen Gijs , Frissen Martijn M. M. , Lafleur René P. M. , Voets Ilja K. , Palmans Anja R. A. , Meijer E. W. 
Published: February 2016

AbstractWe introduce monosaccharides as versatile water‐soluble units to compatibilise supramolecular polymers based on the benzene‐1,3,5‐tricarboxamide (BTA) moiety with water. A library of monosaccharide‐based BTAs is evaluated, varying the length of the alkyl chain (hexyl, octyl, decyl and dodecyl) separating the BTA and saccharide units, as well as the saccharide units (α‐glucose, β‐glucose, α‐mannose and α‐galactose). In all cases, the monosaccharides impart excellent water compatibility. The length of the alkyl chain is the determining factor to obtain either long, one‐dimensional supramolecular polymers (dodecyl spacer), small aggregates (decyl spacer) or molecularly dissolved (octyl and hexyl) BTAs in water. For the BTAs comprising a dodecyl spacer, our results suggest that a cooperative self‐assembly process is operative and that the introduction of different monosaccharides does not significantly change the self‐ assembly behaviour. Finally, we investigate the potential of post‐assembly functionalisation of the formed supramolecular polymers by taking advantage of dynamic covalent bond formation between the monosaccharides and benzoxaboroles. We observe that the supramolecular polymers readily react with a fluorescent benzoxaborole derivative permitting imaging of these dynamic complexes by confocal fluorescence microscopy.
Alkaline Earth Metal Zirconate Perovskites MZrO3 (M=Ba2+, Sr2+, Ca2+) Derived from Molecular Precursors and Doped with Eu3+ Ions
Authors: Drąg‐Jarząbek Anna , John Łukasz , Petrus Rafał , Kosińska‐Klähn Magdalena , Sobota Piotr 
Published: February 2016

AbstractThe effect of alkaline earth metal alkoxides on the protonation of zirconocene dichloride was investigated. This approach enabled the design of compounds with preset molecular structures for generating high‐purity binary metal oxide perovskites MZrO3 (M=Ba2+, Sr2+, Ca2+). Single‐source molecular precursors [Ba4Zr2(μ6‐O)(μ3,η2‐OR)8(OR)2(η2‐HOR)2(HOR)2Cl4], [Sr4Zr2(μ6‐O)(μ3,η2‐OR)8(OR)2(HOR)4Cl4], [Ca4Zr2(μ6‐O)(μ3,η2‐OR)8(OR)2Cl4], and [Ca6Zr2(μ2,η2‐OR)12(μ‐Cl)2(η2‐HOR)4Cl6]⋅8 CH2Cl2 were prepared via elimination of the cyclopentadienyl ring from Cp2ZrCl2 as CpH in the presence of M(OR)2 and alcohol ROH (ROH=CH3OCH2CH2OH) as a source of protons. The resulting complexes were characterized by elemental analysis, IR and NMR spectroscopy, and single‐crystal X‐ray diffraction. The compounds were then thermally decomposed to MCl2/MZrO3 mixtures. Leaching of MCl2 from the raw powder with deionized water produced highly pure perovskite‐like oxide particles of 40–80 nm in size. Luminescence studies on Eu3+‐doped MZrO3 revealed that the perovskites are attractive host lattices for potential applications in display technology.
Effect of Structural Modifications on the Self‐Assembly of Oligoprolines Conjugated with Sterically Demanding Chromophores
Authors: Lewandowska Urszula , Zajaczkowski Wojciech , Pisula Wojciech , Ma Yingjie , Li Chen , Müllen Klaus , Wennemers Helma 
Published: February 2016

AbstractConjugates between oligoprolines and sterically demanding perylene monoimides (PMIs) form hierarchical supramolecular self‐assemblies. The influence of the length and stereochemistry at the attachment site between the peptide backbone and the chromophore on the self‐assembly properties of the conjugates was explored. Comparison between oligoprolines bearing 4R‐ or 4S‐configured azidoprolines (Azp) for the conjugation with the PMIs revealed that diastereoisomers with 4R configuration guide the self‐assembly consistently better than conjugates with 4S configuration. Elongating the peptide chain beyond nine proline residues or introducing structural “errors”, by altering the absolute configuration of one stereogenic center at the outside of the functionalizable oligoproline helix, lowered the efficacy of self‐assembly significantly, both in solution phase and in the solid state. The results showed how subtle structural modifications allow for tuning the self‐assembly of chromophores and provided further design principles for the development of peptide–chromophore conjugates into nanostructured materials.
Insight into the Reaction of a Dinuclear Phosphinidene Complex with Nitriles
Authors: Seidl Michael , Weinzierl Rudolf , Timoshkin Alexey Y. , Scheer Manfred 
Published: February 2016

AbstractThe phosphinidene complex [Cp*P{W(CO)5}2] (1; Cp*=C5Me5) reacted with malononitrile to give the 1,2‐dihydro‐1,3,2‐diazaphosphinine derivative 2. The reaction of 1 with 1,4‐benzodinitrile gave [1,4‐{{W(CO)5}2P‐N=C(Cp*)}2(C6H4)] (3), the first example of a cumulene‐like aminophosphinidene complex. The reaction of 1 with aniline gave the aminophosphinidene complex [(Ph)N(H)P{W(CO)5}2] (4). To compare the reactivity of benzonitrile and aniline with 1, the phosphinidene complex 1 was reacted with three different isomers of aminobenzonitrile (2‐, 3‐, and 4‐aminobenzonitrile). These reactions gave an insight into the reaction pathway of 1 with benzonitrile derivatives. Compounds 5, 6 a, 6 b, and 7, which are derivatives of 1,2‐dihydro‐1,3,2‐diazaphosphinine or benzo‐2H‐1,2‐azaphospholes, were, as well as all other products, characterized by mass spectrometry, NMR and IR spectroscopy, and X‐ray structure analysis.
Production of Metal‐Free Composites Composed of Graphite Oxide and Oxidized Carbon Nitride Nanodots and Their Enhanced Photocatalytic Performances
Authors: Kim Seung Yeon , Oh Junghoon , Park Sunghee , Shim Yeonjun , Park Sungjin 
Published: February 2016

AbstractA novel metal‐free composite (GN) composed of two types of carbon‐based nanomaterials, graphite oxide (GO) and 2D oxidized carbon nitride (OCN) nanodots was produced. Chemical and morphological characterizations reveal that GN contains a main component of GO with well‐dispersed 2D OCN nanodots. GN shows enhanced photocatalytic performance for degrading an organic pollutant, Rhodamine B, under visible light.
Carbon‐Coated Hierarchical SnO2 Hollow Spheres for Lithium Ion Batteries
Authors: Liu Qiannan , Dou Yuhai , Ruan Boyang , Sun Ziqi , Chou Shu‐Lei , Dou Shi Xue 
Published: February 2016

AbstractHierarchical SnO2 hollow spheres self‐assembled from nanosheets were prepared with and without carbon coating. The combination of nanosized architecture, hollow structure, and a conductive carbon layer endows the SnO2‐based anode with improved specific capacity and cycling stability, making it more promising for use in lithium ion batteries.
Modeling cytokinesis of eukaryotic cells driven by the actomyosin contractile ring
Authors: Zhao Jia , Wang Qi 
Published: February 2016

SummaryA three‐dimensional (3D) hydrodynamic model for cytokinesis of eukaryotic cells is developed, in which we model dynamics of actomyosins in the cell cortex, in particular, along the cytokinetic ring formed in the cortex and in the neighborhood of the cell's division plane explicitly. Specifically, the active force actuated by the actomyosin's activity along the cytokinetic ring is modeled by a surface force whose strength is proportional to the actomyosin concentration while the cell morphology is tracked by a phase field model. The model is then solved in 3D space and time using a finite difference method on graphic processing units. Dynamical morphological patterns of eukaryotic cells during cytokinesis are numerically simulated with the model. These simulated morphological patterns agree quantitatively with experimental observations. Copyright © 2016 John Wiley & Sons, Ltd.
Speciation and Structural Properties of Hydrothermal Solutions of Sodium and Potassium Sulfate Studied by Molecular Dynamics Simulations
Authors: Reimer Joachim , Vogel Frédéric , Steele‐MacInnis Matthew 
Published: February 2016

AbstractAqueous solutions of salts at elevated pressures and temperatures play a key role in geochemical processes and in applications of supercritical water in waste and biomass treatment, for which salt management is crucial for performance. A major question in predicting salt behavior in such processes is how different salts affect the phase equilibria. Herein, molecular dynamics (MD) simulations are used to investigate molecular‐scale structures of solutions of sodium and/or potassium sulfate, which show contrasting macroscopic behavior. Solutions of Na−SO4 exhibit a tendency towards forming large ionic clusters with increasing temperature, whereas solutions of K−SO4 show significantly less clustering under equivalent conditions. In mixed systems (NaxK2−xSO4), cluster formation is dramatically reduced with decreasing Na/(K+Na) ratio; this indicates a structure‐breaking role of K. MD results allow these phenomena to be related to the characteristics of electrostatic interactions between K+ and SO42−, compared with the analogous Na+−SO42− interactions. The results suggest a mechanism underlying the experimentally observed increasing solubility in ternary mixtures of solutions of Na−K−SO4. Specifically, the propensity of sodium to associate with sulfate, versus that of potassium to break up the sodium–sulfate clusters, may affect the contrasting behavior of these salts. Thus, mutual salting‐in in ternary hydrothermal solutions of Na−K−SO4 reflects the opposing, but complementary, natures of Na−SO4 versus K−SO4 interactions. The results also provide clues towards the reported liquid immiscibility in this ternary system.
Feasibility and Effects of a Brief Compassion‐Focused Imagery Intervention in Psychotic Patients with Paranoid Ideation: A Randomized Experimental Pilot Study
Authors: Ascone Leonie , Sundag Johanna , Schlier Björn , Lincoln Tania M. 
Published: February 2016

Paranoia is characterized by a lack of perceived social safeness and associated negative affect. Low self‐esteem, negative self‐concepts and negative emotions have been shown to contribute to paranoid symptom formation. Thus, interventions focusing on affiliation and positive affect might be particularly helpful for patients with paranoia. The present study experimentally tested the effect of a one‐session, brief compassion‐focused imagery derived from Compassion‐Focused Therapy (Gilbert, ) versus a control imagery condition in a repeated measures randomized design. A negative affective state was induced via in‐sensu exposure to a recent distressful social situation in order to provide a minimum level of threat‐related arousal to be down‐regulated by the interventions thereafter. The sample consisted of psychotic patients with paranoid ideation (N = 51) who were randomly assigned to one of the experimental conditions. Effects on postulated causal mechanisms, i.e., self‐relating (self‐reassurance, self‐compassion, self‐criticism), and affect (self‐reported affective states, skin conductance levels) as well as on state paranoia, were tested. Subjective benefit and appraisals of the intervention were explored. There were no specific intervention effects on negative self‐relating, negative affect and skin‐conductance or on paranoia. However, compassion‐focused imagery had significant effects on self‐reassurance and happiness. Explorative analyses revealed that the majority of the participants appraised the intervention in a positive manner, indicating good acceptance. The intervention showed an effect on some of the postulated mechanisms but not on others, which might have been because of its brevity. Further investigation of interventions targeting affiliation for people with paranoid experiences appears worthwhile. Copyright © 2016 John Wiley & Sons, Ltd.Key Practitioner Message

Affiliative imagery work is feasible and appraised positively in psychotic patients.
Brief compassion focused imagery increased feelings of happiness and reassurance but did not improve negative self‐relating, negative affect or paranoia.
Further investigation is warranted to identify which patients benefit most from affiliative imagery.
Electrochemical Reduction of Carbon Dioxide to Methanol by Direct Injection of Electrons into Immobilized Enzymes on a Modified Electrode
Authors: Schlager Stefanie , Dumitru Liviu Mihai , Haberbauer Marianne , Fuchsbauer Anita , Neugebauer Helmut , Hiemetsberger Daniela , Wagner Annika , Portenkirchner Engelbert , Sariciftci Niyazi Serdar 
Published: February 2016

AbstractWe present results for direct bio‐electrocatalytic reduction of CO2 to C1 products using electrodes with immobilized enzymes. Enzymatic reduction reactions are well known from biological systems where CO2 is selectively reduced to formate, formaldehyde, or methanol at room temperature and ambient pressure. In the past, the use of such enzymatic reductions for CO2 was limited due to the necessity of a sacrificial co‐enzyme, such as nicotinamide adenine dinucleotide (NADH), to supply electrons and the hydrogen equivalent. The method reported here in this paper operates without the co‐enzyme NADH by directly injecting electrons from electrodes into immobilized enzymes. We demonstrate the immobilization of formate, formaldehyde, and alcohol dehydrogenases on one‐and‐the‐same electrode for direct CO2 reduction. Carbon felt is used as working electrode material. An alginate–silicate hybrid gel matrix is used for the immobilization of the enzymes on the electrode. Generation of methanol is observed for the six‐electron reduction with Faradaic efficiencies of around 10 %. This method of immobilization of enzymes on electrodes offers the opportunity for electrochemical application of enzymatic electrodes to many reactions in which a substitution of the expensive sacrificial co‐enzyme NADH is desired.
Association between intestinal permeability and faecal microbiota composition in Italian children with beta cell autoimmunity at risk for type 1 diabetes
Authors: Maffeis Claudio , Martina Alessia , Corradi Massimiliano , Quarella Sara , Nori Nicole , Torriani Sandra , Plebani Mario , Contreas Giovanna , Felis Giovanna E. 
Published: February 2016

AbstractBackgroundPancreatic organ‐specific autoimmunity in subjects at risk for type 1 diabetes (T1D) is associated with increased intestinal permeability and an aberrant gut microbiota, but these factors have not yet been simultaneously investigated in the same subjects. Thus, the aim of this study was to assess both intestinal permeability and gut microbiota composition in an Italian sample of children at risk for T1D.MethodsTen Italian children with beta cell autoimmunity at risk for T1D and 10 healthy children were involved in a case–control study. The lactulose/mannitol test was used to assess intestinal permeability. Analysis of microbiota composition was performed using polymerase chain reaction followed by denaturing gradient gel electrophoresis, based on the 16S rRNA gene.ResultsIntestinal permeability was significantly higher in children at risk for T1D than in healthy controls. Moreover, the gut microbiota of the former differed from that of the latter group: Three microorganisms were detected – Dialister invisus, Gemella sanguinis and Bifidobacterium longum – in association with the pre‐pathologic state.ConclusionsThe results of this study validated the hypothesis that increased intestinal permeability together with differences in microbiota composition are contemporaneously associated with the pre‐pathological condition of T1D in a sample of Italian children. Further studies are necessary to confirm the microbial markers identified in this sample of children as well as to clarify the involvement of microbiota modifications in the mechanisms leading to increased permeability and the autoimmune mechanisms that promote diabetes onset. Copyright © 2016 John Wiley & Sons, Ltd.
Detection of Damaged Distribution Surge Arresters Using an Impulse Generator
Authors: MATSUURA SUSUMU , SHIMASAKI KATSUHIKO , SUGIMOTO HITOSHI 
Published: February 2016

SUMMARYDistribution surge arresters with an internal series gap have been installed on Japanese distribution lines at high density to reduce lightning‐related overvoltages. In contrast, surge arresters are sometimes damaged by direct lightning strokes, particularly in winter. Measurement of the insulation resistance between the terminals of the surge arrester and measurement of the dc discharge voltage of the surge arrester are generally adopted to detect damaged arresters. However, if metal‐oxide (MO) varistors are damaged and the internal series gap is not damaged, it is difficult to detect damaged arresters by the two conventional methods. Therefore, this paper presents a proposed detection method that can accurately detect damaged arresters. In the proposed method, first, the voltage between the terminals of the surge arrester is measured when the output of an impulse generator is applied to the surge arrester. Second, the damaged arrester is detected by comparison between its voltage waveform and the voltage waveform of the nondamaged arrester. The detection rate of damaged arresters by the proposed method is markedly higher than the rates of detection by the two conventional methods.
Partial Discharge Detection with High‐Frequency Band through Resistance–Temperature Sensor of Hydropower Generator Stator Windings
Authors: KANEGAMI MASAKI , MIYAZAKI SATORU , MIYAKE KATSUYUKI 
Published: February 2016

SUMMARYIn order to improve the signal to noise ratio for partial discharge (PD) detection using a resistance–temperature detector laid in the stator windings of a hydropower generator, the continuous wavelet transform (CWT) is applied as a kind of time‐frequency analysis. Relying on the combination of frequency resolution and time resolution using an applied power voltage phase angle distribution, PDs occurring in voids of stator windings are expected to be found within a mixed environment of strong noise and confusable noise. Furthermore, we found that the CWT may make it possible to calibrate the PD charge quantity in a band of a few tens of MHz under favorable conditions, where calibration is usually difficult for generator stator windings.
In vitro Cytotoxicity of Half‐Sandwich Platinum Group Metal Complexes of a Cationic Alkylated Phosphaadamantane Ligand
Authors: Burgoyne Andrew R. , Kaschula Catherine H. , Parker M. Iqbal , Smith Gregory S. 
Published: February 2016

AbstractTrinuclear and model mononuclear cationic monodentate RhIII, IrIII and RuII complexes with alkylated 1,3,5‐triaza‐7‐phosphaadamantane (PTA) moieties have been prepared and characterized using NMR and IR spectroscopy, HR‐ESI mass spectrometry and elemental analysis. The metals coordinate to the ligands via the phosphorus of the PTA, and this was confirmed by shifts in the 31P{1H} NMR spectra. The cytotoxicities of all the compounds were investigated against the WHCO1 esophageal cancer cell line. The IrIII mononuclear complex proved to be the most cytotoxic. Additionally, 1H NMR model studies demonstrated its DNA binding ability while UV/Vis studies demonstrated the ability of the iridium mononuclear complex to interact with the double helix structure of Red Salmon testes DNA.
Lewis Acid Catalyzed Synthesis of Cyanidoborates
Authors: Bläsing Kevin , Ellinger Stefan , Harloff Jörg , Schulz Axel , Sievert Katharina , Täschler Christoph , Villinger Alexander , Zur Täschler Cornelia 
Published: February 2016

AbstractThe reactions of [BF4]– salts with Me3SiCN were studied at different temperatures and in the presence of several different Lewis acids, which led to the generation of the well‐known [BF4–n(CN)n]– (n = 1–4) salts. Depending on the catalyst and the reaction conditions, the whole series of [BF4–n(CN)n]– salts is now accessible under ambient conditions, and long preparation times and the excessive production of waste materials can be avoided. The best results were obtained when the F–/CN– substitution reactions were performed in ionic liquids.
Cycloadditions of Sugar‐Derived ­Nitrones Targeting Polyhydroxylated Indolizidines
Authors: Martella Daniele , D'Adamio Giampiero , Parmeggiani Camilla , Cardona Francesca , Moreno‐Clavijo Elena , Robina Inmaculada , Goti Andrea 
Published: February 2016

AbstractThe 1,3 dipolar cycloaddition reactions of three pentose‐derived pyrroline N‐oxides with mono‐ and disubstituted alkenes are reported. A strong dependence of the diastereoselectivity of the cycloadditions on the relative configuration of the nitrone stereocentres was observed. Further transformation of the reaction products allowed the synthesis of four new tetrahydroxylated indolizidines. Their activity as glycosidase inhibitors was evaluated against a panel of commercially available glycosidases. The specificity of inhibitory activity against amyloglucosidase and α‐mannosidases depends on the configuration at C‐2 of the indolizidine moiety.