bluuebunny/crossref_metadata_2025 huggingface dataset:
The Hague Conferences and ‘international community’: a politics of conceptual innovation
Authors: Roshchin Evgeny
Published: September 2016

This article asks when, how, and why states started to use the concept of international community in the shared language of diplomacy and international law. It argues that the concept was accepted to the interstate language as a result of debates over international institutions, which were to acquire a universal character, at the Hague Conferences of 1899 and 1907. The article suggests that conceptual changes in interstate language should be understood as products of rhetorical power struggles, in which some arguments lose the battle while others prevail, some concepts are discarded while others modified. The article suggests a model of conceptual change that explains an innovation in interstate language. First, it draws attention to collective assertive speech acts at diplomatic events that signal changes in international politics. Second, it examines whether such acts implicate conceptual innovations. Third, it posits that the composition of epistemic community assembled at the Hague determines the nature of conceptual innovation. Fourth, it demonstrates how rhetorical interventions into debates at the conference introduce and mould relevant concepts. Fifth, it illuminates how contextualisation of the conference interventions in professional debates helps us understand the polemical nature of arguments and the scope of conceptual innovation.
Gramsci andThe Prince: Taking Machiavelli outside the realist courtyard?
Authors: Carta Caterina
Published: September 2016

In the field of political theory, few authors have spurred intellectual tirades and triggered collective fantasy as much as the sixteenth-century Florentine Secretary Niccoló Machiavelli. Despite all controversies, in the discipline of International Relations (IR) Machiavelli and hisThe Princehave been almost exclusively associated with classical realism. This largely unchallenged association contributed to the edification of the myth ofThe Princeas the ruthless symbol ofraison d’état, carrying transcendental lessons about the nature of politics and a set of prescriptions on how helmsmen should behave to seize, maintain, and reinforce their power. The realist hijacking of Machiavelli is at the core of the foundation of classical realism as an IR theory and its location at the very epicentre of IR as a discipline. This appropriation has, in turn, obscured alternative myths ofThe Prince,which depart from Machiavelli’s reflections on thePrincipati nuovito readThe Princeas a radical manifesto for political change. The opening of the semantic space in the field of IR – spurred by the so-called interpretive turn – offers an opportunity to break this monochromatic reading. This article delves into two competing myths ofThe Prince: the classical realist myth and Gramsci’s ‘progressive’ one to demonstrate its contested nature.
Modularity in ecological networks between frugivorous birds and congeneric plant species
Authors: Silva Adriano M. , Maruyama Pietro K. , Paniago Luís Pedro M. , Melo Celine
Published: September 2016

Ecological and evolutionary factors influence the presence of modules in species interaction networks, and these modules usually cluster functional similar species. But whether closely related species form modules is still unknown. We tested whether the interaction networks formed by frugivorous birds andMiconiaplants are modular and evaluated how modules were divided. To do so, we gathered from the literature data concerning four networks ofMiconiaand their frugivorous birds (three from Brazilian savanna and one from a rain forest in Panama). We quantified modularity using binary and weighted algorithms and also tested the relationship between bird traits (body mass, dietary specialization, migratory behaviour and phylogeny) in relation to within- and among-module connectivity indices (candzvalues). If considering only binary information, networks did not present distinct modular structure. Nevertheless, by including interaction strength, modules can be detected in all fourMiconia-bird networks. None of the bird traits, however, was related with the connectivity indices. The possible fluctuation of frugivorous bird abundance coupled with the asynchronic fruiting period ofMiconiamight favour the formation of temporal modules comprising birds and plant species with phenological overlap, ensuring seed dispersal and facilitating the coexistence in sympatry. Bird traits had little effect on the role that each species plays within the modular network, probably because the frugivorous assemblages were dominated by small-bodied and opportunistic species.
Entertaining the community: the evolution of civic ritual and public celebration, 1860–1953
Authors: ROBERTS BEN
Published: September 2016

Civic ritual and pageantry have been mainstays of urban culture since the Middle Ages, but it has been suggested that they entered a period of decline from the 1870s onwards. This article suggests that instead, local authorities reformed and revised their use of civic ceremony, celebration and commemoration, in order to keep pace with contemporary culture and to maintain public interest. The towns of Darlington and Middlesbrough are considered to highlight the use of recreational and sensory-rich ritual in the urban setting. It is suggested that historians should therefore adopt a broader methodology and broaden their definition of what constituted civic ritual in the twentieth century.
Legume consumption and CVD risk: a systematic review and meta-analysis
Authors: Marventano Stefano , Izquierdo Pulido Maria , Sánchez-González Claudia , Godos Justyna , Speciani Attilio , Galvano Fabio , Grosso Giuseppe
Published: September 2016

Objective

The aim of the present study was to systematically review and perform a meta-analysis of prospective cohort studies exploring the association between dietary legume consumption and CVD risk, including CHD and stroke.

Design

The PubMed and EMBASE databases were searched up to December 2015. A meta-analysis of the highestv.lowest (reference) category of dietary legume consumption was performed through random-effects models.

Results

Fourteen studies conducted on eleven cohorts and accounting for a total of 367 000 individuals and 18 475 cases of CVD (7451 CHD and 6336 stroke cases) were considered for the analyses. Compared with lower legume consumption, the highest category of exposure was associated with a decreased risk of 10 % in both CVD and CHD (relative risk=0·90; 95 % CI 0·84, 0·97) with no or little evidence of heterogeneity and no publication bias. Null results were found regarding legume consumption and stroke risk. No substantial confounding factors were evident in stratified analyses.

Conclusions

Legume consumption was associated with lower risk of CVD. Legumes’ intrinsic characteristics, because they are often part of an overall healthy diet, or because they are a substitute for unhealthy sources of protein may potentially explain the current findings.
Highly compact wideband double-section rat-race hybrid with harmonic suppression using series and shunt stepped impedance transmission lines
Authors: Phani Kumar Kanaparthi V. , Karthikeyan S. S.
Published: September 2016

This paper presents the design of a size miniaturized and harmonic suppressed wideband double-section rat-race coupler (RRC). Series and shunt stepped-impedance transmission line units are proposed to replace the quarter wavelength transmission lines in the conventional design of wideband (50% fractional bandwidth) two-stage rat-race coupler. Design equations are derived using the lossless transmission line model. The proposed double-section RRC occupies only 14% area of the conventional coupler, with good return loss and isolation performances. In addition, the full-wave simulation and measured responses exhibit harmonic suppression up to at least fifth harmonic. The proposed design can be easily implemented using the standard printed circuit board etching process without any via-holes, bonding wires, and lumped elements, which make it very useful for wireless communication systems
Influence of a high-intensity interval training session on peripheral and central blood pressure at rest and during stress testing in healthy individuals
Authors: Ketelhut Sascha , Milatz Florian , Heise Walter , Ketelhut Reinhard G.
Published: September 2016

Abstract. Background: Regular physical activity is known to reduce arterial pressure (BP). In a previous investigation, we could prove that even a single bout of moderate-intensity continuous exercise (MICE) causes a prolonged reduction in BP. Whether high-intensity interval training (HIIT) has a favourable influence on BP, and therefore may be followed subjects and methods by a prolonged BP reduction, should be examined on the basis of blood pressure response after exercise and during a subsequent stress test. Patients and methods: In 39 healthy men (aged 34 ± 8 years, BMI 24 ± 2), peripheral and central BP were measured noninvasively at rest and at the end of a 2-min cold pressor test (CPT) using a Mobil-O-Graph (24 PWA monitor, IEM). Following HIIT (6 x 1 min at 98% of the previously determined maximum wattage, 4-min rest between intervals) BP was measured again throughout 60 min of rest and thereafter during a CPT. The results were compared with those obtained before HIIT. Results: Similar to MICE, peripheral and central BPs were significantly (p < 0.05) lower 45 min after HIIT. When analysing peripheral BP during a CPT before and after exercise, significantly lower systolic (p < 0.001) and diastolic (p = 0.008) pressures were established after HIIT. This was true for systolic (p = 0.002) and diastolic (p = 0.006) central BP as well. Although there were no more significant differences between pressures at rest before and 60 min after exercise, the increase in peripheral systolic pressure due to CPT was significantly slower after HIIT (p = 0.019) when compared with BP during CPT before exercise. This was true for central systolic BP as well (p = 0.017). Conclusion: HIIT leads to a BP reduction, which can still be detected up to 45 min after completion of the training. Even 60 min after exercise, pressures during a CPT showed a reduced augmentation, indicating an attenuated hemodynamic response to stress testing after HIIT.
Welche Erwartungen sagen postoperative Depressivität und Ängstlichkeit bei herzchirurgischen Patienten am stärksten vorher?
Authors: Auer Charlotte J. , Kube Tobias , Laferton Johannes A. C. , Salzmann Stefan , Shedden-Mora Meike , Rief Winfried , Moosdorf Rainer
Published: September 2016

Zusammenfassung. Theoretischer Hintergrund: Depressivität und Ängstlichkeit beeinträchtigen den Behandlungserfolg von herzchirurgischen Patienten. Fragestellung: Untersucht wurde, ob und wie präoperative Patientenerwartungen mit postoperativer Depressivität und Ängstlichkeit zusammenhängen und welche präoperativen Erwartungen hierbei den höchsten prädiktiven Wert haben. Methoden: 124 aortocoronare Bypass-Patienten bearbeiteten eine Woche vor der Operation einen Fragebogen, der verschiedene Aspekte von Erwartungen mischt (Positive Health Expectation Questionnaire; PHES) und einen Fragebogen, der einzelne Erwartungsaspekte getrennt erfasst (Expected Illness Perception Questionnaire, IPQ-E) und eine Woche vor sowie eine Woche nach der Operation Fragen zu ihrer Depressivität und Ängstlichkeit (Hospital Anxiety and Depression Scale (HADS)). Ergebnisse: Postoperative Depressivität wird durch präoperative Erwartungen vorhergesagt (R2 = 0.32, F = 3.13, p = .02). Der einzig signifikante Prädiktor hierbei sind positive Gesundheitserwartungen gemessen mit dem PHES. Auch postoperative Ängstlichkeit wird durch präoperative Erwartungen vorhergesagt (R2 = 0.27, F = 2.55, p < .05). Bei der Vorhersage postoperativer Ängstlichkeit haben erwartete Konsequenzen gemessen mit dem IPQ-E den stärksten prädiktiven Wert. Schlussfolgerungen: Die Studie belegt die Relevanz von präoperativen Erwartungen bei herzchirurgischen Patienten. Interventionen, die auf die Verringerung von Depressivität herzchirurgischer Patienten abzielen, sollten den Fokus auf verschiedene Aspekte von Erwartungen legen. Bei der Verringerung postoperativer Ängstlichkeit könnten hingegen einzeln erfasste Erwartungsaspekte von Bedeutung sein.
Co-Rumination im Kontext des sozio-interpersonellen Modells der PTBS
Authors: Krutolewitsch Anna , Horn Andrea B. , Maercker Andreas
Published: September 2016

Zusammenfassung. Theoretischer Hintergrund: Die Arbeit der Einsatzkräfte verschiedener Berufsgruppen (Feuerwehrleute, Polizei und Rettungspersonal) kann zu einer sekundären Traumatisierung führen. Das sozio-interpersonelle Model der PTBS von Maercker und Horn (2013) unterstreicht die Wichtigkeit des sozio-interpersonellen Kontexts für Traumafolgephänomene. In der vorliegenden Studie wurden entsprechend die Zusammenhänge zwischen sekundärer PTBS und erlebter gesellschaftlicher Wertschätzung, dysfunktionalen Mustern beim Offenlegen von traumatischen Inhalten (Disclosure) sowie Co-Rumination in einer russischsprachigen Population untersucht. Co-Rumination, das parallel zum intrapsychischen Ruminieren für das Wiederholen negativer Inhalte im Dialog mit anderen steht, wurde bisher noch nicht im Kontext von Traumaverarbeitung erforscht. Fragestellung: Ziel der Studie ist es zu untersuchen, ob Co-Rumination als interpersoneller Prozess zusätzlich zu den bekannten sozio-interpersonellen Variablen Disclosure und gesellschaftlicher Wertschätzung mit erhöhter post-traumatische Symptomatik assoziiert ist. Methode: Es wurden N = 168 Einsatzkräften in Weißrussland mit Hilfe von Fragebögen zu ihrer Symptomatik sowie den interessierenden sozio-interpersonellen Variablen befragt. Ergebnisse: Die in die Regressionsanalyse einbezogenen Prädiktorvariablen klärten insgesamt bis zu 50.4 % Varianz der sekundären Traumatisierung auf. Die Variable Co-Rumination klärte zusätzlich 2 % der Gesamtvarianz auf. Schlussfolgerung: Extensiver und wiederkehrender sozialer Austausch von negativen Inhalten, sogenannte Co-Rumination, ist in der Verarbeitung von traumatischen Erlebnissen mit erhöhter Symptomatik assoziiert und erweist sich dabei als von Disclosure und erlebter gesellschaftlicher Wertschätzung empirisch unterscheidbar.
Psychotherapie bei Depressionen
Authors: Hautzinger Martin
Published: September 2016

Zusammenfassung. Theoretischer Hintergrund: Leitlinien im Gesundheitswesen stellen heute wichtige Orientierungshilfen und Standards für Versorgung und Behandlung dar. Leitlinien beruhen auf einer systematischen Zusammenstellung der empirischen Evidenzen sowie Metaanalysen zu einem bestimmten medizinischen bzw. klinisch psychologischen Thema. Depressionen sind häufige Erkrankungen, die gesellschaftlich eine hohe Belastung (menschlich, ökonomisch) darstellen. Bereits 2009 wurde daher eine „Nationale Versorgungsleitlinie Depression“ vorgelegt. Nun erfolgte eine Überarbeitung ( DGPPN et al., 2015 ), die für weitere 5 Jahre Gültigkeit hat und hier vorgestellt werden soll. Fragestellung und Methode: Hier werden die wichtigsten Empfehlungen der S3/NVL Depression mit Bezug zur Relevanz für die Klinische Psychologie zusammengefasst. Es wird auf Erweiterungen, Neuerungen und Veränderungen eingegangen. Die Empfehlungen stellen einen Konsens verschiedenster Fachgesellschaften und relevanter Berufsgruppen aufgrund eines längeren Sichtungs- und Auswertungsprozesses von Einzelstudien, Übersichtsarbeiten und Metaanalysen der nationalen und internationalen Literatur dar. Ergebnisse: Es ergibt sich, dass die empirisch gut begründbare Bedeutung von Psychotherapie, insbesondere der Kognitiven Verhaltenstherapie, bei der Behandlung unipolarer Depressionen weiter besteht, sogar zunahm und heute eine der zentralen Säulen Evidenz basierter Therapie darstellt. Dies gilt für unterschiedliche Altersgruppen, für chronisch und komorbid Erkrankte, insbesondere auch für die Kombination mit Pharmakotherapie. Schlussfolgerung: Angesichts der gesellschaftlichen und klinischen Bedeutung sowie der großen Heterogenität der Störungsgruppe Depression, besteht unverändert dringender Forschungsbedarf, um die Effekte von Psychotherapie zu optimieren und deren langfristige Wirkung beurteilen zu können. Besonders relevant ist die Erforschung von Moderatoren bzw. Prädiktoren des guten bzw. weniger guten Ansprechens auf sowie das Verständnis der Wirkmechanismen und Mediatoren von Psychotherapie.
Self-Regulatory Processes in the Appraisal of Moral Courage	Situations
Authors: Brandstätter Veronika , Jonas Kai J. , Koletzko Svenja H. , Fischer Peter
Published: September 2016

Abstract. The present research conceives of morally courageous behavior as goal-directed behavior and extends its investigation from a mere situational approach to a more comprehensive understanding including dispositional determinants related to self-regulatory processes. We tested the assumption that individual difference variables differentially affect the appraisal of the two core constituents of moral courage, namely, norm violation and risk of intervention. In two samples from different cultural (Switzerland/Austria vs. The Netherlands) as well as educational (university vs. representative population sample) backgrounds, participants evaluated norm violation and risk of intervention for six vignettes of situations calling for moral courage. Across both samples, self-transcendence values (benevolence, universalism) predicted the perception of norm violation, whereas personality factors related to affective self-regulation in stressful situations (behavioral inhibition system, state orientation) predicted the perception of intervention risk. These results provide evidence for the imperative of accounting for individual differences in the self-regulation of moral courage behavior.
Allocation of Public Goods
Authors: Kazemi Ali , Eek Daniel , Gärling Tommy
Published: September 2016

Abstract. Seventy-two undergraduates participating in a step-level asymmetric public good dilemma were requested to distribute the provided public good among the group members to achieve different group goals. In line with the hypotheses, economic productivity resulted in equitable allocations, harmony in equal allocations, and social concern in need-based allocations. The results also supported the hypotheses that salience of group goal minimizes influences of self-interest on allocations and that perceived fairness accounts for why people pursuing different group goals differ in their preferences for allocation of public goods.
Microbial metabolisms in a 2.5-km-deep ecosystem created by hydraulic fracturing in shales
Authors: Daly Rebecca A. , Borton Mikayla A. , Wilkins Michael J. , Hoyt David W. , Kountz Duncan J. , Wolfe Richard A. , Welch Susan A. , Marcus Daniel N. , Trexler Ryan V. , MacRae Jean D. , Krzycki Joseph A. , Cole David R. , Mouser Paula J. , Wrighton Kelly C.
Published: September 2016

Hydraulic fracturing is the industry standard for extracting hydrocarbons from shale formations. Attention has been paid to the economic benefits and environmental impacts of this process, yet the biogeochemical changes induced in the deep subsurface are poorly understood. Recent single-gene investigations revealed that halotolerant microbial communities were enriched after hydraulic fracturing. Here, the reconstruction of 31 unique genomes coupled to metabolite data from the Marcellus and Utica shales revealed that many of the persisting organisms play roles in methylamine cycling, ultimately supporting methanogenesis in the deep biosphere. Fermentation of injected chemical additives also sustains long-term microbial persistence, while thiosulfate reduction could produce sulfide, contributing to reservoir souring and infrastructure corrosion. Extensive links between viruses and microbial hosts demonstrate active viral predation, which may contribute to the release of labile cellular constituents into the extracellular environment. Our analyses show that hydraulic fracturing provides the organismal and chemical inputs for colonization and persistence in the deep terrestrial subsurface.
New hybrid material based on a silica-immobilised conjugated β-ketoenol-bipyridine receptor and its excellent Cu(ii) adsorption capacity
Authors: Radi Smaail , Tighadouini Said , Bacquet Maryse , Degoutin Stéphanie , Garcia Yann
Published: September 2016

A new hybrid material based adsorbent for the efficient elimination of Cu(ii) was synthesized by the immobilization of a new conjugated β-ketoenol-bipyridine ligand receptor onto a silica matrix.
Characterization of non-intentionally added substances (NIAS) and zinc oxide nanoparticle release from evaluation of new antimicrobial food contact materials by both LC-QTOF-MS, GC-QTOF-MS and ICP-MS
Authors: Martínez-Bueno M. J. , Cimmino S. , Silvestre C. , Tadeo J. L. , Garcia-Valcárcel A. I. , Fernández-Alba A. R. , Hernando M. D.
Published: September 2016

New active nanomaterials used for food packaging materials have been evaluated by a mass spectrometry-based methodology to the tentative identification of NIAS.
Anti-Markovnikov rearrangement in sulfur mediated allylic C–H amination of olefins
Authors: Zhang Zhong , Du Hongguang , Xu Jiaxi , Li Pingfan
Published: September 2016

Hitherto unknown chemistry involving anti-Markovnikov rearrangement from secondary carbocations toward primary carbocations or primary triflates was discovered.
Assessing the intracellular fate of rhodium(ii) complexes
Authors: Minus Matthew B. , Kang Marci K. , Knudsen Sarah E. , Liu Wei , Krueger Michael J. , Smith Morgen L. , Redell Michele S. , Ball Zachary T.
Published: September 2016

The decomposition of rhodium(ii)–fluorophore conjugates is coupled to changes in fluorescence intensity, enabling investigations of cellular entry and intracellular stability.
Chemoselective reductive alkynylation of tertiary amides by Ir and Cu(i) bis-metal sequential catalysis
Authors: Huang Pei-Qiang , Ou Wei , Han Feng
Published: September 2016

We report a versatile method for the direct, catalytic reductive alkynylation of tertiary amides to give propargylic amines.
Oriented attachment by enantioselective facet recognition in millimeter-sized gypsum crystals
Authors: Viedma Cristóbal , Cuccia Louis A. , McTaggart Alicia , Kahr Bart , Martin Alexander T. , McBride J. Michael , Cintas Pedro
Published: September 2016

Optical crystallography of precipitated hot supersaturated solutions of calcium sulphate shows oriented attachment of gypsum crystals at homochiral facets.
Alloying barbituric and thiobarbituric acids: from solid solutions to a highly stable keto co-crystal form
Authors: Shemchuk O. , Braga D. , Grepioni F.
Published: September 2016

Alloying isomorphous barbituric and thiobarbituric acids yields solid solutions of formula BAxTBA1−x (x < 0.8); for x = 0.5 the isomorphous, stable keto co-crystal BA0.5TBA0.5 is observed, which melts at 265 °C, i.e. ca. 10 and 20 °C higher than the melting points of BA and TBA.
Effect of terminal 3′-hydroxymethyl modification of an RNA primer on nonenzymatic primer extension
Authors: Pal Ayan , Das Rajat S. , Zhang Weicheng , Lang Megan , McLaughlin Larry W. , Szostak Jack W.
Published: September 2016

Displacing the hydroxyl nucleophile at the 3′-end of a primer by a single methylene group drastically decreases the rate of primer extension, illustrating the importance of the precise position of the hydroxyl nucleophile.
A bioorthogonal approach for imaging the binding between Dasatinib and its target proteins inside living cells
Authors: Kim Young-Rang , Kim Young Hye , Kim Sung Woo , Lee Yong Ju , Chae Dong-Eon , Kim Kyung-A , Lee Zee-Won , Kim Nam Doo , Choi Jong-Soon , Choi Insung S. , Lee Kyung-Bok
Published: September 2016

A simple method for reading out the binding between a chemical drug and its target proteins in the cytoplasm is demonstrated.
MOF catalysts in biomass upgrading towards value-added fine chemicals
Authors: Herbst Annika , Janiak Christoph
Published: September 2016

The development of new synthetic routes from biomass sources towards already existing molecules, which are then called bio-based molecules, or the transformation of biomass into new building blocks and materials will be of great impact. This review presents a critical comparison between MOFs and other catalysts (e.g. zeolites) for biomass transformation.
The structure of Pyrex® glass investigated by correlation NMR spectroscopy
Authors: Tricot G.
Published: September 2016

The structure of Pyrex® glass has been analysed by 1D and 2D-correlation NMR.
An experimental and theoretical study on the electronic and structural properties of CdSe@TiO2 nanotube arrays
Authors: Freitas R. G. , Lucas F. W. S. , Santanna M. A. , Mendes R. A. , Terezo A. J. , de Souza G. L. C. , Mascaro L. H. , Pereira E. C.
Published: September 2016

The effects of the structural and electronic parameters on the water splitting over CdSe@TiO2NT were investigated using experimental and theoretical methods.
Influence of the mixed organic cation ratio in lead iodide based perovskite on the performance of solar cells
Authors: Salado Manuel , Calio Laura , Berger Rüdiger , Kazim Samrana , Ahmad Shahzada
Published: September 2016

Perovskite solar cells were fabricated using the mixed organic cation of formamidinium and methylammonium. The mixed cation having the composition MA0.6FA0.4PbI3 shows almost negligible I–V hysteresis and better photostability than pure MAPbI3 and FAPbI3.
Effects of atomic interaction stiffness on low-temperature relaxation of amorphous solids
Authors: Sun Y. T. , Wang J. Q. , Li Y. Z. , Bai H. Y. , Li M. Z. , Wang W. H.
Published: September 2016

Using molecular dynamics simulation, the effect of atomic interaction stiffness on the low-temperature relaxation in amorphous solids is clarified.
Mass resolved IR spectroscopy of aniline–water aggregates
Authors: León I. , Arnáiz P. F. , Usabiaga I. , Fernández J. A.
Published: September 2016

Aniline is the simplest aromatic amine and therefore it is a prototypical system to study the microhydration and excited state dynamics of aromatic amines.
Photoinduced hole transfer in QD–phthalocyanine hybrids
Authors: Arvani M. , Virkki K. , Abou-Chahine F. , Efimov A. , Schramm A. , Tkachenko N. V. , Lupo D.
Published: September 2016

Evidence for hole transfer from phthalocyanine to various sized semiconductor quantum dots after QD excitation is reported.
Ice nucleation on nanotextured surfaces: the influence of surface fraction, pillar height and wetting states
Authors: Metya Atanu K. , Singh Jayant K. , Müller-Plathe Florian
Published: September 2016

Ice nucleation and growth on nanostructured surfaces.
Theoretical investigation of the singlet–triplet splittings for carbazole-based thermally activated delayed fluorescence emitters
Authors: Liang Ke , Zheng Caijun , Wang Kai , Liu Wei , Guo Zhenyu , Li Youyong , Zhang Xiaohong
Published: September 2016

The evident geometry changes from S0 to S1/T1 due to a significant relaxation effect for Cz-based TADF emitters.
Functionalization of two-dimensional phthalo-carbonitride with metal atoms
Authors: Tsetseris Leonidas
Published: September 2016

Functionalized 2D C3N2: metals and semiconductors with small band gaps.
Hole-conductor-free perovskite solar cells with carbon counter electrodes based on ZnO nanorod arrays
Authors: Wang B. X. , Liu T. F. , Zhou Y. B. , Chen X. , Yuan X. B. , Yang Y. Y. , Liu W. P. , Wang J. M. , Han H. W. , Tang Y. W.
Published: September 2016

ZnO/TiO2 NR array is a novelty candidate as an electron collector for hole-conductor-free perovskite solar cells with carbon counter electrodes.
The origin of cooperative solubilisation by hydrotropes
Authors: Shimizu Seishi , Matubayasi Nobuyuki
Published: September 2016

The signature of hydrotropic solubilisation is the sigmoidal solubility curve; when plotted against hydrotrope concentration, solubility increases suddenly after the minimum hydrotrope concentration (MHC), and reaches a plateau at higher hydrotrope concentrations. Here we explain the origin of hydrotropic cooperativity based on statistical thermodynamics.
Proton transfer in acetaldehyde–water clusters mediated by a single water molecule
Authors: Kostko Oleg , Troy Tyler P. , Bandyopadhyay Biswajit , Ahmed Musahid
Published: September 2016

Bridging molecules: a single water molecule enhances the stability of symmetric acetaldehyde water clusters, and acts as a bridge for the transport of a proton between two acetaldehyde molecules.
Outstanding surface plasmon resonance performance enabled by templated oxide gratings
Authors: Choi Baeck , Dou Xuan , Fang Yin , Phillips Blayne M. , Jiang Peng
Published: September 2016

Plasmonic oxide gratings possessing superior SPR performance and thermal stability can be scalably replicated by using DVDs as a structural template.
Spectroscopic investigations of high-energy-density plasma transformations in a simulated early reducing atmosphere containing methane, nitrogen and water
Authors: Civiš Martin , Ferus Martin , Knížek Antonín , Kubelík Petr , Kamas Michal , Španěl Patrik , Dryahina Ksenia , Shestivska Violetta , Juha Libor , Skřehot Petr , Laitl Vojtěch , Civiš Svatopluk
Published: September 2016

Gas mixtures containing methane were treated by large-scale plasma using high-power laser.
Superelastic stress–strain behavior in ferrogels with different types of magneto-elastic coupling
Authors: Cremer Peet , Löwen Hartmut , Menzel Andreas M.
Published: September 2016

Anisotropic ferrogels and magnetorheological elastomers allow for reversible tunability of their markedly nonlinear stress–strain properties.
Morphological modulation of graphene-mediated hybridization in plasmonic systems
Authors: Haghighian Niloofar , Bisio Francesco , Miseikis Vaidotas , Messina Gabriele C. , De Angelis Francesco , Coletti Camilla , Morgante Alberto , Canepa Maurizio
Published: September 2016

Graphene laid on plasmonic Au-nanoparticle arrays becomes uniaxially wrinkled and induces optical anisotropy in the plasmonic response of the system.
Lowered phase transition temperature and excellent solar heat shielding properties of well-crystallized VO2 by W doping
Authors: Shen Nan , Dong Bingrong , Cao Chuanxiang , Chen Zhang , Liu Jianjun , Luo Hongjie , Gao Yanfeng
Published: September 2016

Well-crystallized W-doped VO2 with low phase transition temperature and excellent balance between Tc and latent heat.
Emission in Gd6O5F8:Yb3+,Er3+micro-particles for multimodal luminescence and temperature sensing upon 980 nm excitation
Authors: Du Shanshan , Ma Xinlong , Qiang Qinping , Zhang Gangyi , Wang Yuhua
Published: September 2016

Mono-dispersed Gd6O5F8:Yb3+/Er3+micro-particles with different doping concentrations (Er3+: 0.1–1%) were synthesized by a facile hydrothermal route.
Evidence for dissolved hydrogen in the mixed ionic–electronic conducting perovskites La0.6Sr0.4FeO3−δ and SrTi0.7Fe0.3O3−δ
Authors: Grünbacher Matthias , Köck Eva-Maria , Kogler Michaela , Klötzer Bernhard , Penner Simon
Published: September 2016

Evidence for dissolved hydrogen in mixed ionic–electronic conducting A- and B-site substituted perovskites.
Singlet oxygen generation properties of isometrically dibromated thienyl-containing aza-BODIPYs
Authors: Jiang Xin-Dong , Li Shuang , Le Guennic Boris , Jacquemin Denis , Escudero Daniel , Xiao Linjiu
Published: September 2016

Singlet oxygen generation of 1 was found to be more effective and had about 2.0-fold rate enhancement compared to that of 2.
A search map for organic additives and solvents applicable in high-voltage rechargeable batteries
Authors: Park Min Sik , Park Insun , Kang Yoon-Sok , Im Dongmin , Doo Seok-Gwang
Published: September 2016

A search map composed of the redox potentials of ∼1 000 000 organic compounds is theoretically generated for finding novel electrolytes. The quantitative relationship between the redox potentials and functional groups is suggested. The cycle performance of lithium ion batteries is improved by applying a screened anodic additive.
Editorial: Nanocatalysis
Authors: Fortunelli Alessandro , Vajda Stefan
Published: September 2016

Editorial for the themed issue on nanocatalysis.
Comparative studies on the contribution of NH⋯S hydrogen bonds in tungsten and molybdenum benzenedithiolate complexes
Authors: Okamura Taka-aki , Omi Yui , Hirano Yasunori , Onitsuka Kiyotaka
Published: September 2016

NH⋯S hydrogen bonds more effectively shift the redox potentials of monooxotungsten(iv) complexes than those of the molybdenum analogues.
Dopant and excitation wavelength dependent color tunability in Dy3+:YVO4 and Dy3+/Eu3+:YVO4 microparticles towards white light emission
Authors: Kaczmarek Anna M. , Ndagsi Dorine , Van Deun Rik
Published: September 2016

The emission color of Dy:YVO4 and Dy,Eu:YVO4 microstructures could be tuned towards white light and white light with a yellow undertone through varying the Ln3+ doping percentages as well as the excitation wavelengths.
A nanostructured hematite film prepared by a facile “top down” method for application in photoelectrochemistry
Authors: Qin Dong-Dong , Li Yang , Ning Xing-Ming , Wang Qiu-Hong , He Cai-Hua , Quan Jing-Jing , Chen Jing , Li Ying-Tao , Lu Xiao-Quan , Tao Chun-Lan
Published: September 2016

Nanostructured hematite films on iron foil have been successfully prepared by using a facile “top down” method for application in photoelectrochemistry.
Oxalate-bridged heterometallic chains with monocationic dabco derivatives
Authors: Sakurai Takahiro , Saiki Ryo , Wei Rong Jia , Newton Graham N. , Shiga Takuya , Oshio Hiroki
Published: September 2016

A series of bimetallic oxalate-bridged one-dimensional chains with monocationic dabco derivatives were synthesized, and their metamagnetic behavior of ferromagnetic Cr–Co oxalate chain and a specific paraelectronic relaxation behavior were investigated.
Synthesis and crystal structures of a novel layered silicate SSA-1 and its microporous derivatives by topotactic transformation
Authors: Takahashi S. , Kurita Y. , Ikeda T. , Miyamoto M. , Uemiya S. , Oumi Y.
Published: September 2016

The synthesis of a novel layered silicate SSA-1 (SSA: silicate synthesized with a quaternary amine) was achieved in the SiO2–H2O-TEAOH (TEAOH: tetraethylammonium hydroxide – as an organic structural directing agent) system.
Electron ionization mass spectrometric analysis of air- and moisture-sensitive organometallic compounds
Authors: Penafiel Johanne , Hesketh Amelia V. , Granot Ori , Scott McIndoe J.
Published: September 2016

Electron ionization (EI) is a reliable mass spectrometric method for the analysis of the vast majority of thermally stable and volatile compounds.
SnSe: a remarkable new thermoelectric material
Authors: Zhao Li-Dong , Chang Cheng , Tan Gangjian , Kanatzidis Mercouri G.
Published: September 2016

It is remarkable that SnSe exhibits complex band structures and strong anharmonic bonding, endowing it with a high power factor and low thermal conductivity.
Oligomeric models for estimation of polydimethylsiloxane–water partition ratios with COSMO-RS theory: impact of the combinatorial term on absolute error
Authors: Parnis J. Mark , Mackay Donald
Published: September 2016

PDMS passive sampling media effectively modelled with small oligomers using COSMO-RS.
Dimalononitrile-containing probe based on aggregation-enhanced emission features for the multi-mode fluorescence detection of volatile amines
Authors: Kong Lingwei , Zhang Yahui , Mao Huiling , Pan Xiaoling , Tian Yong , Tian Zhonglin , Zeng Xiangkai , Shi Jianbing , Tong Bin , Dong Yuping
Published: September 2016

A novel multi-mode probe consisting of a hexaphenyl-1,3-butadiene derivative, 2,2′-((((1Z,3Z)-1,2,3,4-tetraphenylbuta-1,3-diene-1,4-diyl)bis(4,1-phenylene))bis(methanylylidene))dimalononitrile (ZZ–HPB–CN), with typical aggregation-enhanced emission (AEE) features was easily prepared for the highly sensitive and rapid detection of amine vapors. The ZZ–HPB–CN sensor, which was prepared by simply depositing ZZ–HPB–CN on filter paper, could detect low concentration vapors of volatile amines using fluorescence, ultraviolet and naked-eye detection. The limit of detection of the sensor was as low as 1 ppb for the fluorescence detection. The color change of the sensor caused by 1–10 ppm amine vapors could be observed under UV light or with the naked eye. The high sensitivity, quick response and easy operation of the probe give it great potential for real-life applications.
Classical molecular dynamics simulation of electronically non-adiabatic processes
Authors: Miller William H. , Cotton Stephen J.
Published: September 2016

Both classical and quantum mechanics (as well as hybrids thereof, i.e., semiclassical approaches) find widespread use in simulating dynamical processes in molecular systems. For large chemical systems, however, which involve potential energy surfaces (PES) of general/arbitrary form, it is usually the case that only classical molecular dynamics (MD) approaches are feasible, and their use is thus ubiquitous nowadays, at least for chemical processes involving dynamics on a single PES (i.e., within a single Born–Oppenheimer electronic state). This paper reviews recent developments in an approach which extends standard classical MD methods to the treatment of electronically non-adiabatic processes, i.e., those that involve transitions between different electronic states. The approach treats nuclear and electronic degrees of freedom (DOF) equivalently (i.e., by classical mechanics, thereby retaining the simplicity of standard MD), and provides “quantization” of the electronic states through a symmetrical quasi-classical (SQC) windowing model. The approach is seen to be capable of treating extreme regimes of strong and weak coupling between the electronic states, as well as accurately describing coherence effects in the electronic DOF (including the de-coherence of such effects caused by coupling to the nuclear DOF). A survey of recent applications is presented to illustrate the performance of the approach. Also described is a newly developed variation on the original SQC model (found universally superior to the original) and a general extension of the SQC model to obtain the full electronic density matrix (at no additional cost/complexity).
Predictive screening of ionic liquids for dissolving cellulose and experimental verification
Authors: Liu Yan-Rong , Thomsen Kaj , Nie Yi , Zhang Suo-Jiang , Meyer Anne S.
Published: September 2016

The cellulose dissolution ability of 357 ionic liquids (ILs) formed from 17 cations and 21 anions was assessed by COSMO-RS prediction; three models for cellulose were compared; 7 of the ILs were evaluated experimentally for ability to dissolve cellulose.
High-resolution continuum source graphite furnace atomic absorption spectrometry for the monitoring of Au nanoparticles
Authors: Resano Martín , Garcia-Ruiz Esperanza , Garde Raul
Published: September 2016

This article demonstrates the potential of HR CS GFAAS for establishing the presence of NPs and their average size.
A highly selective fluorescent sensor for the detection of Al3+ and CN− in aqueous solution: biological applications and DFT calculations
Authors: Jo Tae Geun , Lee Jae Jun , Nam Eunju , Bok Kwon Hee , Lim Mi Hee , Kim Cheal
Published: September 2016

A new turn-on fluorescent chemosensor 1 was developed to detect both Al3+ and CN− and used for practical and biological applications.
Positive effect of the fluorine moiety on the oxygen storage capacity of UiO-66 metal–organic frameworks
Authors: Piscopo Calogero Giancarlo , Trapani Federica , Polyzoidis Angelos , Schwarzer Maud , Pace Andrea , Loebbecke Stefan
Published: September 2016

The capacity to store oxygen and nitrogen within UiO-66 fluorine-containing MOFs has been tested through high pressure adsorption isotherms.
Modular access to vicinally functionalized allylic (thio)morpholinonates and piperidinonates by substrate-controlled annulation of 1,3-azadienes with hexacyclic anhydrides
Authors: Braunstein Hannah , Langevin Spencer , Khim Monique , Adamson Jonathan , Hovenkotter Katie , Kotlarz Lindsey , Mansker Brandon , Beng Timothy K.
Published: September 2016

A modular substrate-controlled hexannulation of 1,3-azadienes with hexacyclic anhydrides, which affords versatile vicinally functionalized allylic lactams, in high yields, regio- and stereoselectivities is described.
Chemoselective photooxygenations of furans bearing unprotected amines: their use in alkaloid synthesis
Authors: Montagnon T. , Kalaitzakis D. , Sofiadis M. , Vassilikogiannakis G.
Published: September 2016

Unprotected amines can be included in furan-containing substrates without disrupting the reactions of singlet oxygen with the furan nuclei; progress towards protecting group-free synthesis of alkaloids.
Regioselective copper-catalyzed N(1)-(hetero)arylation of protected histidine
Authors: Sharma Krishna K. , Mandloi Meenakshi , Jain Rahul
Published: September 2016

We report regioselectiveN(1)-arylation of protected histidine using copper(i) iodide as a catalyst,trans-N,N′-dimethylcyclohexane-1,2-diamine as a ligand and readily available aryl iodides as coupling partners under microwave irradiation at 130 °C for 40 min.
Dehydrative glycosylation with cyclic phosphonium anhydrides
Authors: Dyapa Rajendar , Dockery Lance T. , Walczak Maciej A.
Published: September 2016

Cyclic phosphonium anhydrides generated from bis-phosphine bis-oxides promote glycosylation reactions of C1 hemiacetals in excellent yields and selectivities.
Radical–radical cross coupling reactions of photo-excited fluorenones
Authors: Sharma Simmi , Sultan Shaista , Devari Shekaraiah , Shah Bhahwal Ali
Published: September 2016

Radical–radical cross coupling reactions of photoexcited 9-fluorenones have been accomplished for the first time, leading to the synthesis of 9-alkyl, pyrollidinyl and spiro-THF derivatives of 9-fluorenones.
A co-delivery system based on a reduction-sensitive polymeric prodrug capable of loading hydrophilic and hydrophobic drugs for combination chemotherapy
Authors: Yi Xiaoqing , Zhao Dan , Zhang Quan , Xu Jiaqi , Yuan Gongdao , Zhuo Renxi , Li Feng
Published: September 2016

A reduction-sensitive polymeric prodrug PEG-b-PMPMC-g-PTX was designed. The self-assemblies of polymeric prodrug could deliver drugs with different action mechanisms into tumor cells, leading to the apoptosis of tumor cells effectively.
Recent development of unimolecular micelles as functional materials and applications
Authors: Fan Xiaoshan , Li Zibiao , Loh Xian Jun
Published: September 2016

Unimolecular micelles have high functionalities, encapsulation capabilities and site specific confinement abilities in various applications.
Dual-responsive supramolecular colloidal microcapsules from cucurbit[8]uril molecular recognition in microfluidic droplets
Authors: Yu Ziyi , Lan Yang , Parker Richard M. , Zhang Wangqing , Deng Xu , Scherman Oren A. , Abell Chris
Published: September 2016

Thermal and light dual-responsive supramolecular colloidal microcapsules have been successfully prepared by combining cucurbit[8]uril-based host–guest recognition with the self-assembly of colloidal particles within microfluidic droplets.
Thermoresponsive poly(2-oxazoline)s, polypeptoids, and polypeptides
Authors: Hoogenboom Richard , Schlaad Helmut
Published: September 2016

Recent advances in thermoresponsive poly(2-oxazoline)s, polypeptoids, and polypeptides, with a specific focus on structure–property relationships, self-assembly, and applications, are reviewed.
LED and visible light-induced metal free ATRP using reducible dyes in the presence of amines
Authors: Kutahya Ceren , Aykac F. Simal , Yilmaz Gorkem , Yagci Yusuf
Published: September 2016

A new photoinitiating system involving electron acceptor dyes, namely, eosin Y and erythrosin B, in conjunction with alkyl halides and amines for photoinduced ATRP of (meth)acrylates and vinyl monomers in the absence of inorganic catalysts is reported.
Surfactants as additives make the structures of organic–inorganic hybrid bromoplumbates diverse
Authors: Liu Guangfeng , Liu Jie , Tao Xutang , Li Dong-sheng , Zhang Qichun
Published: September 2016

Through employing surfactants as additives to control the crystal growth, four new hybrid bromoplumbates including the first novel 3D open framework hybrid bromoplumbate (except perovskites) and a pair of 1D polymorphs were obtained.
Fabrication of convex lens-shaped polymer particles by tuning the interfacial interaction
Authors: Xu Jiangping , Yang Yi , Wang Ke , Wu Yuqing , Zhu Jintao
Published: September 2016

With the addition of small molecules to emulsion droplets containing block copolymers, anisotropic convex lens-like particles with hexagonally stacked cylindrical domains can be readily achieved by using a single surfactant to create a neutral interface for both blocks.
Stereo- and regio-selective synthesis of 3′-C-substituted-(N)-methanocarba adenosines as potential anticancer agents
Authors: Naik Siddhi D. , Chandra Girish , Sahu Pramod K. , Kim Hong-Rae , Qu Shuhao , Yoon Ji-seong , Jeong Lak Shin
Published: September 2016

Synthesis of 3′-C-substituted-(N)-methanocarba adenosines using stereoselective cyclopropanation, stereoselective nucleophilic addition, regioselective isopropylidene cleavage and regioselective cyclic sulfate condensation.
Silver(i)-catalysed domino alkyne-annulation/Diels–Alder reaction: a mild synthetic approach to tetrahydrospiro[carbazole-4,3′-indoline] scaffolds
Authors: Sharma Pankaj , Kumar Niggula Praveen , Krishna Namballa Hari , Prasanna Daasi , Sridhar Balasubramanian , Shankaraiah Nagula
Published: September 2016

A mild and efficient AgOTf catalyzed alkyne-annulation/Diels–Alder cascade for the construction of tetrahydrospiro[carbazole-4,3′-indoline] derivatives has been established.
Fabrication and cell viability of injectable n-HA/chitosan composite microspheres for bone tissue engineering
Authors: Cai Bin , Zou Qin , Zuo Yi , Li Limei , Yang Boyuan , Li Yubao
Published: September 2016

The n-HA/CS microspheres exhibit good properties while supporting cell growth, thus acting as a promising injectable matrix for bone tissue engineering.
Utilization of a pyrrole derivative based antimicrobial functionality impregnated onto CaO/g-C3N4 for dyes adsorption
Authors: Younis Sherif A. , Abd-Elaziz Ahmed , Hashem Ahmed I.
Published: September 2016

A novel functionalization of CaO/g-C3N4 based nanocomposite using 4,5-diphenyl-2-thioxo-2,5-dihydro-1H-pyrrole-3-cabonitrile (P3C@CaO–HCN) was fabricated for wastewater remediation from organic dyes and microbial pollutants.
Insight into the inhibition mechanism of kukoamine B against CpG DNA via binding and molecular docking analysis
Authors: Zheng Xinchuan , Wang Ning , Yang Yongjun , Chen Yingchun , Liu Xin , Zheng Jiang
Published: September 2016

The binding and inhibition mechanism of kukoamine B against CpG DNA is proposed.
Simultaneous enhancement in stability and efficiency of low-temperature processed perovskite solar cells
Authors: Mahmud Md Arafat , Elumalai Naveen Kumar , Upama Mushfika Baishakhi , Wang Dian , Wright Matthew , Sun Tian , Xu Cheng , Haque Faiazul , Uddin Ashraf
Published: September 2016

Low temperature (140 °C) processed MA0.6FA0.4PbI3/AZO devices exhibit 20% higher PCE and two-fold higher device stability compared to MA0.6FA0.4PbI3/ZnO devices.
High catalytic activity for CO oxidation on single Fe atom stabilized in graphene vacancies
Authors: Tang Yanan , Zhou Jincheng , Shen Zigang , Chen Weiguang , Li Chenggang , Dai Xianqi
Published: September 2016

The geometric, electronic and catalytic characters of Fe atom embedded graphene (including monovacancy and divacancy) are investigated using the first-principles method, which gives a reference on designing graphene-based catalysts for CO oxidation.
Amino acid recognition by fine tuning the association constants: tailored naphthalimides in pillar[5]arene-based indicator displacement assays
Authors: Bojtár Márton , Paudics Adrien , Hessz Dóra , Kubinyi Miklós , Bitter István
Published: September 2016

Three naphthalimide derivatives were synthesized with different anchoring groups to adjust the supramolecular interactions with carboxylato-pillar[5]arene. The complexes were used as indicator displacement assays for basic amino acids and diamines.