bluuebunny/crossref_metadata_2025_split huggingface dataset:
On the Origin of the Distinctly Different Reactivity of Ruthenium in [MO]+/CH4 Systems (M=Fe, Ru, Os)
Authors: Sun Xiaoyan , Zhou Shaodong , Yue Lei , Schlangen Maria , Schwarz Helmut 
Published: March 2018

AbstractThe thermal gas‐phase reactions of [RuO]+ with methane have been explored by FT‐ICR mass spectrometry and high‐level quantum‐chemical calculations. In contrast to the previously studied [FeO]+/CH4 and [OsO]+/CH4 couples, which undergo oxygen/hydrogen atom transfers and dehydrogenation, respectively, the [RuO]+/CH4 system produces selectively [Ru(CH)2]+ and H2O, albeit with much lower efficiency. Various mechanistic scenarios were uncovered, and the associated electronic origins were revealed by high‐level quantum‐chemical calculations. The reactivity differences observed for the [MO]+/CH4 couples (M=Fe, Ru, Os) are due to the subtle interplay of the spin–orbit coupling efficiency, orbital overlap, and relativistic effects.
Soft Robotics
Authors: Whitesides George M. 
Published: March 2018

AbstractThis description of “soft robotics” is not intended to be a conventional review, in the sense of a comprehensive technical summary of a developing field. Rather, its objective is to describe soft robotics as a new field—one that offers opportunities to chemists and materials scientists who like to make “things” and to work with macroscopic objects that move and exert force. It will give one (personal) view of what soft actuators and robots are, and how this class of soft devices fits into the more highly developed field of conventional “hard” robotics. It will also suggest how and why soft robotics is more than simply a minor technical “tweak” on hard robotics and propose a unique role for chemistry, and materials science, in this field. Soft robotics is, at its core, intellectually and technologically different from hard robotics, both because it has different objectives and uses and because it relies on the properties of materials to assume many of the roles played by sensors, actuators, and controllers in hard robotics.
Selective Polymerization Catalysis from Monomer Mixtures: Using a Commercial Cr‐Salen Catalyst To Access ABA Block Polyesters
Authors: Stößer Tim , Williams Charlotte K. 
Published: March 2018

AbstractABA triblock polyesters are synthesized using a commercially available chromium salen catalyst, in one pot, from monomer mixtures comprising epoxide, anhydride and lactone. The catalysis is highly selective and applies a single catalyst in two distinct pathways. It occurs first by epoxide/anhydride ring‐opening copolymerization and subsequently by lactone ring‐opening polymerization. It is used to produce various new ABA polyester polyols; these polyols can undergo post‐functionalization and chain‐extension reactions. The ability to use a commercial catalyst and switchable catalysis with monomer mixtures is expected to facilitate future explorations of new classes of block polymers.
Antimicrobial activity of tellurium‐loaded polymeric fiber meshes
Authors: Matharu Rupy Kaur , Charani Zhalan , Ciric Lena , Illangakoon Upulitha Eranka , Edirisinghe Mohan 
Published: March 2018

ABSTRACTA series of poly(methyl methacrylate) solutions loaded with varying concentrations of tellurium particles are prepared and processed into continuous and smooth microfiber meshes. Scanning electron microscopy and energy‐dispersive X‐ray spectroscopy are used to study the morphology and surface elemental composition of the composite fibers. Fiber diameters range between 7 and 14 µm with surface nanopores on the fibers ranging between 100 and 200 nm. Energy‐dispersive X‐ray spectroscopy confirmed successful incorporation of tellurium particles into the fibers. The concentration of tellurium in the composite significantly influenced fiber diameter, pore size, and morphology. The antibacterial activity of the prepared fibers is tested using Escherichia coli K12. The fibers are incubated in bacterial suspensions for 24 h at 37 °C and 150 rpm. Antibacterial activity is assessed through the colony‐counting method and is found to be dose dependent. The fibers with 4 wt % tellurium exhibited the most potent antibacterial properties as a 1.16 log reduction was observed. © 2018 The Authors. Journal of Applied Polymer Science Published by Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46368.
Adhesive based on micellar lupin protein isolate exhibiting oxygen barrier properties
Authors: Eibl Ina , von der Haar Daniela , Jesdinszki Marius , Stäbler Andreas , Schmid Markus , Langowski Horst‐Christian 
Published: March 2018

ABSTRACTIn order to minimize the utilization of non‐renewable fossil resources, novel polymer sources for food packaging are being investigated. Micellar Lupin Protein (MLP), produced by dilution precipitation has great potential as functional laminating adhesive due to its high adhesion‐ and oxygen‐barrier properties. Formulations of MLP are used as laminating adhesive between high density‐polyethylene foil and paper as well as coating for poly(ethylene terephthalate) foil. The application of glycerol, sorbitol and combinations thereof as plasticizers are being investigated. Adhesive behavior as well as oxygen‐ and water vapor barrier properties were tested. The addition of both plasticizers enabled the preparation of processable coatings showing coherent and homogeneous morphology with improved adhesive behavior and oxygen barrier. When using sorbitol oxygen permeation coefficients of 0.93 cm3 (STP) 100 µm m−2 d−1 bar−1 were achieved. The laminates containing only sorbitol provided adhesion properties comparable to standard polyurethane laminates with cohesion failure in 100% of the by T‐Peel‐Test examined cases. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46383.
Modification of a fluorine–silicone acrylic resin with a free‐radical‐catching agent
Authors: Lei Huibin , He Deliang , Guo Yanni , Tang Yining , Lu Yao 
Published: March 2018

ABSTRACTSeveral kinds of free‐radical‐catching fluorine–silicone acrylic resins with different contents of 2,2,6,6‐tetramethyl‐4‐piperidyl methacrylate (TMPM) were synthesized by solution copolymerization. The chemical structures and properties of the resins were characterized and followed the performances of their respective coatings. The results demonstrate that these kinds of resins showed a high ability to produce nitroxide. The coatings had good thermal stability and hydrophobicity with water contact angles over 100°. Moreover, the weather resistance showed a great improvement for the synergetic protection by bonded TMPM, organic fluorine, and silicone. By aging tests, the modified coatings still maintained excellent mechanical properties with an impact strength and flexibility of 400 N cm and 2 mm, respectively. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46385.
Surface modification of carbon black to facilitate suspension polymerization of styrene and carbon black
Authors: Hou Yaya , Zhao Tianqi , Shi Yanpeng , Fan Jie , Zheng Ran , Zhang Yumin , Gu Qiang 
Published: March 2018

ABSTRACTTo carry out suspension polymerization of styrene in the presence of carbon black, an effective method was introduced to modify carbon black using nitric acid for oxygen treatment. The surface modification of carbon black with oxidation was confirmed by Fourier transform infrared spectroscopy, thermogravimetric analysis, and scanning electron microscopy (SEM), which demonstrated that the chemical structure of carbon black has clearly changed. Compared with pristine carbon black (CB), SEM illustrates that the aggregation phenomenon of modified carbon black (MCB) was clearly weakened. After modification, the aggregation and inhibition effects of MCB on the polymerization of polystyrene/modified CB (PS/MCB) composite particles are obviously weakened. The lipophilicity of CB after modification was also increased during the synthesis of PS/MCB. The oxidized CB was successfully dispersed by polystyrene using in situ suspension polymerization. The dispersion and dosage of MCB in PS/MCB composite particles was greatly improved over that of CB in PS/CB composite particles. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46387.
Curing reaction mechanism and heat resistance properties of hexa‐(4‐carboxyl‐phenoxy)‐cyclotriphosphazene/bisphenol A aniline benzoxazine blends
Authors: He Jing , Li Xiangyu , Fu Yizheng , Zhu Huibin , Zhao Guizhe , Wang Zhi 
Published: March 2018

ABSTRACTA blend system of hexa‐(4‐carboxyl‐phenoxy)‐cyclotriphosphazene (HCPCP) and bisphenol A aniline benzoxazine (BA‐a) was prepared, and its curing reaction mechanism and heat resistance properties were studied. The curing reaction mechanism of the blend was explored by differential scanning calorimetry, Fourier transform infrared spectroscopy, and modeling software using model compounds Ar‐COOH and hexachlorocyclotriphosphazene (HCCP). The heat resistance properties of the cured blends were studied by thermogravimetric analysis and dynamic mechanical analysis. The polymerization of benzoxazine was catalyzed by HCPCP through phosphazene ring and acid groups, and phosphazene played a predominant role. Compared with the materials with a single functional group (Ar‐COOH and HCCP), HCPCP containing two functional groups (phosphazene ring and acid) exhibited weaker catalytic effects, mainly due to the high molecular weight of HCPCP obstructing movement and causing steric hindrance. In addition, HCPCP had a positive effect on the thermal stability of polybenzoxazine from 250 to 400 °C. When the HCPCP content reached 3%, the cured blend had the highest glass‐transition temperature (222.2 °C), which is higher by 20 °C than that of cured benzoxazine. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46389.
Systematische Nachrechnung des Brückenbestands in Mecklenburg‐Vorpommern
Authors: Steinbock Oliver , Mertzsch Olaf , Hampel Torsten , Schmidt Nico , Curbach Manfred 
Published: March 2018

AbstractDie Bewertung von Bestandsbrücken rückte in Verbindung mit der Einführung der Nachrechnungsrichtlinie von Straßenbrücken im Jahr 2011 vermehrt auch in den Fokus der Forschung. Gegenüber Brückenneubauten ist hier eine differenzierte Betrachtungsweise notwendig, da Bestandsbrücken nach anderen Maßstäben entworfen und gebaut wurden. Um der anspruchsvollen Ingenieuraufgabe bei der Bewertung von Bestandsbrücken gerecht zu werden, sieht die Nachrechnungsrichtlinie ein stufenweises Vorgehen mit steigendem Detaillierungsgrad in der rechnerischen Nachweisführung vor. Die stetige Fortschreibung der Nachrechnungsrichtlinie, die u. a. erstmals im April 2015 ergänzt wurde, macht dabei den Input aus Praxis und Forschung notwendig. Das Vorhaben der Wissenschaftlich‐technischen Betreuung beim Projekt zur Anwendung der Nachrechnungsrichtlinie auf den Brückenbestand Mecklenburg‐Vorpommern (kurz: WTB) griff den Gedanken der Interaktion von Praxis und Forschung auf und erweiterte diesen um die systematische Bewertung des Brückenbestands in der Baulast des Landes Mecklenburg‐Vorpommern (M‐V). Nachfolgender Beitrag gibt einen Überblick über die Priorisierung eines für die neuen Bundesländer charakteristischen Brückenbestands und die systematische Nachrechnung in Zusammenarbeit von Behörden, Unternehmen und Forschungseinrichtung.
In vivo metabolite profiles of isoimperatorin and phellopterin in rats analyzed using HPLC coupled with diode array detector and electrospray ionization ion trap time‐of‐flight mass spectrometry technique
Authors: Li Lili , Chen Jiaxing , Yang Xiaoyan , Zhang Yingtao , Yang Donghui 
Published: March 2018

AbstractIsoimperatorin (IP) and phellopterin (PP) are two furocoumarins existing in Angelicae Dahuricae Radix. There is an isopentenyloxyl substituted at C‐5 in IP, and an isopentenyloxyl and a methoxyl substituted at C‐8 and C‐5, respectively, in PP. To elucidate the in vivo metabolic characteristics of PP and IP, HPLC coupled with diode array detector and electrospray ionization ion trap time‐of‐flight mass spectrometry technique was used. In total, 111 metabolites, including 53 new ones, were identified from the urine and plasma samples of rats after oral administration of IP and PP, respectively. The metabolites were formed through eight reactions on IP and PP: oxidation, hydroxylation–hydrogenation, carboxylation on the isopentenyloxyl, O‐dealkylation, hydroxylation on the furocoumarin nucleus, ring‐opening reaction on the furan ring and reduction or ring‐opening reaction on the lactone ring. Among these, hydroxylation on the furocoumarin nucleus was found for the first time for in vivo metabolites of PP and IP, and the ring‐opening reaction on the furan ring or lactone ring was found for the first time for in vivo metabolites of isopentenyloxyl furocoumarins. The research gave us a new insight into the in vivo metabolic profiles of IP and PP, which could help us better understand their important roles as two active constituents of Angelicae Dahuricae Radix.
Detection of trace amounts of citrinin in dried orange peel by using an optimized extraction method coupled with ultra‐performance liquid chromatography–tandem mass spectrometry
Authors: Liu Yanqing , Wang Hongwu , Yao Su , Zhu Peijie 
Published: March 2018

AbstractA fast and sensitive method involving ultra‐performance liquid chromatography–tandem mass spectrometry (UPLC–MS/MS) was introduced to detect citrinin in dried orange peel. A series of extraction, purification and chromatographic conditions was also systematically examined. With the proposed method, the obtained calibration graph was linear, with an R of 0.9996 within a concentration range of 0.5–10 ng/mL. The estimated limits of detection and quantification were 0.05 and 0.17 ng/mL, respectively. Under the selected conditions, the relative recoveries in different citrus products spiked with 1–10 ng/mL citrinin were 89.4–98.7% with RSDs of <2.5%. Compared with previously reported analytical methods, the newly developed UPLC–MS/MS method showed excellent sensitivity and good precision in detecting citrinin. The results indicated that it is a reliable and effective technique for the detection of trace citrinin in dried orange peel.
Co‐creation for sustainable development: The bounds of NGO contributions to inclusive business
Authors: Nahi Tytti 
Published: March 2018

AbstractThe sustainable development agenda is placing increasing expectations on business and cross‐sector partnerships. One of the rising propositions is that companies and non‐governmental organizations (NGOs) can co‐create inclusive business ventures that are simultaneously both profitable and poverty reducing. A considerable number of studies have found that NGOs can bring valuable knowledge, capabilities, contacts, and legitimacy to these initiatives. This paper deepens the discussion from what NGOs can contribute to how and to what extent. Based on practice theory and a two‐and‐half‐year study of 7 inclusive business partnerships between companies and NGOs, this study finds that NGO representatives contribute to inclusive business initiatives by skillfully drawing on and adapting their potential resources and practices. However, this study identifies five factors that bound NGO contributions. Thereby, this paper advances a nuanced discussion of the potential and the limitations of partnerships as a means of combining poverty alleviation and profitability.
A novel CALM algorithm in student profiling
Authors: Jha Sunil Kr. , Shorko Stefan 
Published: March 2018

AbstractComputational intelligence plays a significant role in the improvement of the learning process. Student profile provides an overview of personality and establishes a connection between the abilities and learning preferences. The objective of the present study is to develop an algorithmic approach to student profiling in the selection of subjects and profession. A calculative associative logical memorable (CALM) algorithm is proposed which integrates calculative thinking, association, logical perception, and memorizing features. The developed CALM approach is also validated by including the environmental and social constraints. The validation outcomes claim that the CALM is able to design a noble student profiling framework which leads to further improvement in the quality of the learning process.
A semantic approach to enhance moodle with personalization
Authors: Perišić Jasmina , Milovanović Marina , Kazi Zoltan 
Published: March 2018

AbstractThe purpose of this paper is to present a framework for an adaptive mechanism implemented in Moodle in order to improve learning outcomes and students' satisfaction with the learning process. The proposed mechanism adapts the learning content within the course according to students' characteristics expressed by their learning style. In our study, student's learning style is dynamically determined by monitoring students’ actions and activities during the learning process, and detecting patterns of behavior that correspond to specific learning style. Semantic web technologies are in the background of the entire adaptive system. In order to examine the effectiveness of the proposed model and students' feedback, an evaluation study was conducted on two groups of students. Students from the control group had access to standard Moodle course, while students from experimental group had access to personalized learning content. The results indicated that students' performance was improved by using the proposed framework, while the student's feedback from regarding its usefulness was positive.
The ULTIMATE Reagent: A Universal Photocleavable and Clickable Reagent for the Regiospecific and Reversible End Labeling of Any Nucleic Acid
Authors: Jain Piyush K. , Friedman Simon H. 
Published: March 2018

AbstractThere is a need for methods to chemically incorporate photocleavable labels into synthetic and biologically sourced nucleic acids in a chemically defined and reversible manner. We have previously demonstrated that the light‐cleaved diazo di‐methoxy nitro phenyl ethyl (diazo‐DMNPE) group has a remarkable regiospecificity for modifying terminally phosphorylated siRNA. Building on this observation, we have identified conditions under which a diazo‐DMNPE reagent that we designed (diazo‐DMNPE‐azide or DDA) is able to singly modify any nucleic acid (RNA, DNA, single‐stranded, double‐stranded, 3′ or 5′ phosphate). It can then be modified with any clickable reagent to incorporate arbitrary labels such as fluorophores into the nucleic acid. Finally, native nucleic acid can be regenerated directly through photolysis of the reagent. Use of the described approach should allow for the tagging of any nucleic acid, from any source—natural or unnatural—while allowing for the light‐induced regeneration of native nucleic acid.
An Unusual Fatty Acyl:Adenylate Ligase (FAAL)–Acyl Carrier Protein (ACP) Didomain in Ambruticin Biosynthesis
Authors: Hemmerling Franziska , Lebe Karen E. , Wunderlich Johannes , Hahn Frank 
Published: March 2018

AbstractThe divinylcyclopropane (DVC) fragment of the ambruticins is proposed to be formed by a unique polyene cyclisation mechanism, in which the unusual didomain AmbG plays a key role. It is proposed to activate the branched thioester carboxylic acid resulting from polyene cyclisation and to transfer it to its associated acyl carrier protein (ACP). After oxidative decarboxylation, the intermediate is channelled back into polyketide synthase (PKS) processing. AmbG was previously annotated as an adenylation–thiolation didomain with a very unusual substrate selectivity code but has not yet been biochemically studied. On the basis of sequence and homology model analysis, we reannotate AmbG as a fatty acyl:adenylate ligase (FAAL)–acyl carrier protein didomain with unusual substrate specificity. The expected adenylate‐forming activity on fatty acids was confirmed by in vitro studies. AmbG also adenylates a number of structurally diverse carboxylic acids, including functionalised fatty acids and unsaturated and aromatic carboxylic acids. HPLC‐MS analysis and competition experiments show that AmbG preferentially acylates its ACP with long‐chain hydrophobic acids and tolerates a π system and a branch near the carboxylic acid. AmbG is the first characterised example of a FAAL–ACP didomain that is centrally located in a PKS and apparently activates a polyketidic intermediate. This is an important step towards deeper biosynthetic studies such as partial reconstitution of the ambruticin pathway to elucidate DVC formation.
Comparison of single versus dual antiplatelet therapy after TAVR: A systematic review and meta‐analysis
Authors: Raheja Hitesh , Garg Aakash , Goel Sunny , Banerjee Kinjal , Hollander Gerald , Shani Jacob , Mick Stephanie , White Jonathan , Krishnaswamy Amar , Kapadia Samir 
Published: March 2018

AbstractObjectiveWe aim to evaluate the efficacy of dual versus single anti‐platelet therapy (SAPT) after TAVR through a systematic review and meta‐analysis of published research.BackgroundDual antiplatelet therapy (DAPT) with aspirin and clopidogrel is a commonly practiced strategy after transcatheter aortic valve replacement (TAVR). However, there is lack of sufficient evidence supporting this approach.MethodWe searched PubMed, EMBASE, the Cochrane Central Register of Controlled trials, and the clinical trial registry maintained at clinicaltrials.gov for randomized control trials (RCT) and observational studies comparing DAPT with SAPT post TAVR. Event rates were compared using a forest plot of relative risk with 95% confidence intervals using a random‐effects model assuming inter‐study heterogeneity.ResultsA total of six studies (3 RCTs and 3 observational studies, n = 840) were included in the final analysis. Compared to SAPT, DAPT was associated with increased risk of significant bleeding (life threatening and major) [RR = 2.52 (95% CI 1.62–3.92, P < 0.0001)] with the number needed to harm for major or life‐threatening bleeding calculated to be 10.4. There was no significant difference in the incidence of stroke [RR = 1.06 (95% CI, 0.43–2.60, P = 0.90)], spontaneous myocardial infarction [RR = 2.08 (95% CI, 0.56–7.70, P = 0.27)] and all‐cause mortality [RR = 1.18 (95% CI, 0.68–2.05, P = 0.56] in the DAPT and SAPT groups.ConclusionIn this small meta‐analysis of DAPT versus SAPT after TAVR, DAPT did not prevent stroke, myocardial infarction or death while the risk of bleeding was higher. Results from ongoing trials are awaited to determine the best anti‐thrombotic approach after TAVR.
From Mesocates to Helicates: Structural, Magnetic and Chiro‐Optical Studies on Nickel(II) Supramolecular Assemblies Derived from Tetradentate Schiff Bases
Authors: Mayans Júlia , Font‐Bardia Mercè , Di Bari Lorenzo , Arrico Lorenzo , Zinna Francesco , Pescitelli Gennaro , Escuer Albert 
Published: March 2018

AbstractThe systematic reactions of a family of tetradentate pyridyl/imine and quinolyl/imine racemic or enantiopure Schiff bases with Ni(NO3)2 or Ni(ClO4)2 in the presence of sodium azide yielded, as a function of the starting racemic, chiral or achiral base, a set of chiral, meso or achiral complexes. In all cases, the compounds consist of two NiII cations linked by a double azido bridge in its end‐on coordination mode. All the dimers exhibit a mesocate supramolecular structure and one of them, the unprecedented mix of helicate and mesocate in 2:1 ratio. The transition from mesocate to helicate conformation has been reached by tuning the flexibility of the central spacers of the Schiff bases and the size of the substituents. Electronic circular dichroism (ECD) studies have been performed for two pairs of enantiomers and interpreted by means of DFT calculations. Susceptibility measurements show a ferromagnetic coupling between the NiII cations mediated by the end‐on azido bridges.