bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effect of Heat Treatment on the Nitrogen Content and Its Role on the Carbon Dioxide Adsorption Capacity of Highly Ordered Mesoporous Carbon Nitride
Authors: Lakhi Kripal S. , Park Dae‐Hwan , Joseph Stalin , Talapaneni Siddulu N. , Ravon Ugo , Al‐Bahily Khalid , Vinu Ajayan 
Published: January 2017

AbstractMesoporous carbon nitrides (MCNs) with rod‐shaped morphology and tunable nitrogen contents have been synthesized through a calcination‐free method by using ethanol‐washed mesoporous SBA‐15 as templates at different carbonization temperatures. Carbon tetrachloride and ethylenediamine were used as the sources of carbon and nitrogen, respectively. The resulting MCN materials were characterized with low‐ and high‐angle powder XRD, nitrogen adsorption, high‐resolution (HR) SEM, HR‐TEM, elemental analysis, X‐ray photoelectron spectroscopy, and X‐ray absorption near‐edge structure techniques. The carbonization temperature plays a critical role in controlling not only the crystallinity, but also the nitrogen content and textural parameters of the samples, including specific surface area and specific pore volume. The nitrogen content of MCN decreases with a concomitant increase in specific surface area and specific pore volume, as well as the crystallinity of the samples, as the carbonization temperature is increased. The results also reveal that the structural order of the materials is retained, even after heat treatment at temperatures up to 900 °C with a significant reduction of the nitrogen content, but the structure is partially damaged at 1000 °C. The carbon dioxide adsorption capacity of these materials is not only dependent on the textural parameters, but also on the nitrogen content. The MCN prepared at 900 °C, which has an optimum BET surface area and nitrogen content, registers a carbon dioxide adsorption capacity of 20.1 mmol g−1 at 273 K and 30 bar, which is much higher than that of mesoporous silica, MCN‐1, activated carbon, and multiwalled carbon nanotubes.
PEG‐Induced Synthesis of Coordination‐Polymer Isomers with Tunable Architectures and Iodine Capture
Authors: Zhao Si‐Si , Chen Li , Zheng Xiaohua , Wang Lei , Xie Zhigang 
Published: January 2017

AbstractControllable synthesis of coordination polymer (CP) isomers and revealing their structure–property relationships remain enormous challenges. Three new supramolecular isomers have been synthesized by tuning the poly(ethylene glycol) (PEG) content in the feed. These supramolecular isomers have the same framework formula of [Cu2I2(tppe)] and different architectures from the classical 2D stacking framework to a 3D entangled system with the coexistence of interpenetration and polycatenation, and a 3D topological framework. Interestingly, these CPs could be utilized for capturing iodine molecules. According to multiple complementary experiments and crystallographic analyses, iodine capture is mainly based on halogen‐bond interactions in the inorganic {Cu2I2} building blocks of the framework. The present study describes a structure–property relationship in supramolecular isomerism with distinct topological structures.
The Influence of Board Composition on Sustainable Development Disclosure
Authors: Jizi Mohammad 
Published: January 2017

AbstractDespite knowing the potential effect of social reporting on firms' continuity, there is limited research into the influence of the composition of boards of directors on CSR disclosure. This paper adds to the emerging CSR literature empirical evidence by examining how board composition relates to a firm's social and environmental disclosure as well as the implementation of social policies. Using a sample of FTSE 350 firms for the period 2007–2012, the results show that higher board independence facilitates the conveying of firms' good citizenship image through enhancing societal conscience. The results also show that female participation on boards is favorably affecting CSR engagement and reporting as well as the establishment of ethical policies. Hence, the research suggests that boards with higher female participation and independence boost the legitimacy of CSR reporting. Board gender diversity and independence facilitates directing part of the firm's scarce resources toward value maximizing social projects and subsequent reporting on these. Copyright © 2017 John Wiley & Sons, Ltd and ERP Environment
Exploring the Framework Development Status for Sustainability in Supply Chain Management: A Systematic Literature Synthesis and Future Research Directions
Authors: Ansari Zulfiquar N. , Kant Ravi 
Published: January 2017

AbstractThe need to integrate environmental and social aspects into the supply chain has created a debate amongst academicians and researchers on two topics: sustainability and the supply chain. A large number of journals and special volumes are publishing research that carries out a case study or survey, develops a mathematical model or builds a conceptual model/framework on sustainable supply chain management (SSCM). However, classified analysis of articles that develop a framework on SSCM has not been carried out by any researcher. The study thus aims to review SSCM framework articles to identify the major contributions and gaps. A total of 92 framework articles on SSCM from the sample of 349 over a period of 19 years (1998–2016) are structurally analyzed to meet the objectives. The selected literature is categorized by novel or adapted framework, source of framework, framework verification, method used for framework verification and identifying the constructs/elements that build the structural framework. Analyzing the literature sample using these categories reveals that framework development in the context of SSCM is still an area with ample future opportunities. The findings of the study are especially interesting for academicians and practitioners to investigate the critical gaps in the field of sustainable supply chain management frameworks (SSCMFs). Copyright © 2017 John Wiley & Sons, Ltd and ERP Environment
Electrochemical Generation of Excited Intramolecular Charge‐Transfer States
Authors: Kapturkiewicz Andrzej 
Published: January 2017

AbstractExcited intramolecular charge‐transfer states have been attracting significant attention in recent decades, as they are crucial for different optoelectronic applications including the construction of efficient organic light‐emitting devices. This possibility arises from the unique combination of the electrochemical and photophysical properties characterizing organic A−D molecules, which contain the linked electron‐donating D and electron‐accepting A subunits. For the same reasons, the A−D molecules are excellent luminophores that can be effectively excited in electrochemically generated chemiluminescence processes. This Review provides an overview of the current achievements in this particularly exciting field.
Anion‐Templated Nanosized Silver Alkynyl Clusters: Cluster Engineering and Solution Behavior
Authors: Zhang Shan‐Shan , Su Hai‐Feng , Wang Zhi , Wang Lina , Zhao Quan‐Qin , Tung Chen‐Ho , Sun Di , Zheng Lan‐Sun 
Published: January 2017

AbstractAssembly of nanosized polynuclear metal clusters from simple building blocks usually involves complicated self‐organization processes and thus is a long‐standing challenge. Here, we demonstrate the controllable assembly, single‐crystal structures and solution behaviors of four molecular assemblies based on nanosized silver alkynyl clusters, formulated as {[(CrO4)2Cl@Ag42(PhC≡C)34(CF3COO)2]⋅CF3COO} (1), {(NH4)[(CrO4)2Cl@Ag42(PhC≡C)34(CrO4)(H2O)2]⋅2BF4⋅CH3OH}n (2), [(CrO4)@Ag22(PhC≡C)16(CF3SO3)4]n (3), and {[(CrO4)2@Ag31(PhC≡C)22(CF3SO3)4]⋅CF3SO3⋅2CH3OH⋅H2O}n (4). In the presence of concomitant CrO42− and Cl− templates, we could isolate a discrete cluster 1 and a polymeric chain‐like compound 2 by using different silver salts. Both 1 and 2 have a similar 42‐metallic cage, which traps two CrO42− and one Cl− as anion templates. Using sole CrO42− template, 3 and 4 were simultaneously isolated in a one‐pot reaction. Both of them are 1D chain structures based on single CrO42− templated Ag18 and double CrO42− templated Ag30 clusters, respectively. HR‐ESI‐MS was used to study the solution behaviors of 1–4. This work has the following purposes: i) it presents the cluster engineering concept used in the assembly of polynuclear silver alkynyl clusters; ii) it exemplifies template effects from hetero and homo anions; and iii) it provides a controllable way to achieve assembly of silver alkynyl clusters.
Light‐Controlled Reversible Modulation of Frontier Molecular Orbital Energy Levels in Trifluoromethylated Diarylethenes
Authors: Herder Martin , Eisenreich Fabian , Bonasera Aurelio , Grafl Anna , Grubert Lutz , Pätzel Michael , Schwarz Jutta , Hecht Stefan 
Published: January 2017

AbstractAmong bistable photochromic molecules, diarylethenes (DAEs) possess the distinct feature that upon photoisomerization they undergo a large modulation of their π‐electronic system, accompanied by a marked shift of the HOMO/LUMO energies and hence oxidation/reduction potentials. The electronic modulation can be utilized to remote‐control charge‐ as well as energy‐transfer processes and it can be transduced to functional entities adjacent to the DAE core, thereby regulating their properties. In order to exploit such photoswitchable systems it is important to precisely adjust the absolute position of their HOMO and LUMO levels and to maximize the extent of the photoinduced shifts of these energy levels. Here, we present a comprehensive study detailing how variation of the substitution pattern of DAE compounds, in particular using strongly electron‐accepting and chemically stable trifluoromethyl groups either in the periphery or at the reactive carbon atoms, allows for the precise tuning of frontier molecular orbital levels over a broad energy range and the generation of photoinduced shifts of more than 1 eV. Furthermore, the effect of different DAE architectures on the transduction of these shifts to an adjacent functional group is discussed. Whereas substitution in the periphery of the DAE motif has only minor implications on the photochemistry, trifluoromethylation at the reactive carbon atoms strongly disturbs the isomerization efficiency. However, this can be overcome by using a nonsymmetrical substitution pattern or by combination with donor groups, rendering the resulting photoswitches attractive candidates for the construction of remote‐controlled functional systems.
The Nature of Metal–Metal Interactions in Dimeric Hydrides and Halides of Group 11 Elements in the Light of High Level Relativistic Calculations
Authors: Dem'yanov Piotr I. , Polestshuk Pavel M. , Kostin Vladimir V. 
Published: January 2017

AbstractThe titular calculations show that charges at metal atoms M are apparently the main factor governing the nature of M⋅⋅⋅M interactions in two‐nuclear coinage‐metal complexes, and there are certain critical values of positive charges on M atoms, on exceeding which the pair‐wise M⋅⋅⋅M interactions and/or the binding between M atoms in such complexes become repulsive despite negative formation energies of such complexes, short M–M internuclear distances, and the existence of a bond critical point (BCP) between M atoms.
Selective Electrochemical Bleaching of the Outer Leaflet of Fluorescently Labeled Giant Liposomes
Authors: Perez Jimenez Ana Isabel , Challier Lylian , Aït‐Yahiatène Eric , Delacotte Jérôme , Labbé Eric , Buriez Olivier 
Published: January 2017

AbstractElectrochemistry and confocal fluorescence microscopy were successfully combined to selectively bleach and monitor the fluorescence of NBD (7‐nitrobenz‐2‐oxa‐1,3‐diazole)‐labeled phospholipids of giant liposomes. Three types of giant unilamellar vesicles have been investigated, the fluorescent phospholipids being localized either mainly on their outer‐, inner‐, or both inner/outer leaflets. We established that only the fluorescent lipids incorporated in the outer leaflet of the vesicles underwent electrochemical bleaching upon reduction. The relative fluorescence intensity decay was quantified all along the electrochemical extinction through an original fluorescence loss in electrobleaching (FLIE) assay. As expected, the reorganization of the fluorescent phospholipids followed diffusion‐driven dynamics. This was also evidenced by comparison with fluorescence loss in photobleaching (FLIP) and the corresponding numerical model. The value of the lateral diffusion coefficient of phospholipids was found to be similar to that obtained by other methods reported in the literature. This versatile and selective bleaching procedure appears reliable to explore important biological and pharmacological issues.
Oxygen Delivery as a Limiting Factor in Modelling Dicopper(II) Oxidase Reactivity
Authors: Gülzow Jana , Hörner Gerald , Strauch Peter , Stritt Anika , Irran Elisabeth , Grohmann Andreas 
Published: January 2017

AbstractDeprotonation of ligand‐appended alkoxyl groups in mononuclear copper(II) complexes of N,O ligands L1 and L2, gave dinuclear complexes sharing symmetrical Cu2O2 cores. Molecular structures of these mono‐ and binuclear complexes have been characterized by XRD, and their electronic structures by UV/Vis, 1H NMR, EPR and DFT; moreover, catalytic performance as models of catechol oxidase was studied. The binuclear complexes with anti‐ferromagnetically coupled copper(II) centers are moderately active in quinone formation from 3,5‐di‐tert‐butyl‐catechol under the established conditions of oxygen saturation, but are strongly activated when additional dioxygen is administered during catalytic turnover. This unforeseen and unprecedented effect is attributed to increased maximum reaction rates vmax, whereas the substrate affinity KM remains unaffected. Oxygen administration is capable of (partially) removing limitations to turnover caused by product inhibition. Because product inhibition is generally accepted to be a major limitation of catechol oxidase models, we think that our observations will be applicable more widely.
Synthesis of 2,2,2,‐Trichloroethyl Aryl‐ and Vinyldiazoacetates by Palladium‐Catalyzed Cross‐Coupling
Authors: Fu Liangbing , Mighion Jeffrey D. , Voight Eric A. , Davies Huw M. L. 
Published: January 2017

AbstractAn efficient and convenient synthesis of 2,2,2‐trichloroethyl (TCE) aryl‐ and vinyldiazoacetates was achieved by palladium‐catalyzed cross‐coupling reactions between TCE diazoacetates and aryl or vinyl iodides. The broad substrate scope allows for rapid and facile formation of TCE aryl‐ and vinyldiazoacetates, which recently have emerged as versatile reagents for rhodium‐carbene chemistry.
N‐Heterocyclic Carbene‐Catalyzed Intramolecular Nucleophilic Substitution: Enantioselective Construction of All‐Carbon Quaternary Stereocenters
Authors: Zhao Ming , Chen Jie , Yang Hui , Zhou Ling 
Published: January 2017

AbstractAn efficient enantioselective N‐heterocyclic carbene (NHC)‐catalyzed intramolecular SN2′ nucleophilic substitution of aldehydes with (E/Z)‐trisubstituted allylic bromides was accomplished. A range of enantioenriched chromanones bearing an all‐carbon quaternary stereocenter at the C3 position were prepared with up to 97 % yield and 98 % enantiomeric excess. The resulting vinyl and carbonyl groups in these products can be transformed into a variety of synthetically important building blocks.
Unprecedented Access to β‐Arylated Selenophenes through Palladium‐Catalysed Direct Arylation
Authors: Skhiri Aymen , Salem Ridha Ben , Soulé Jean‐François , Doucet Henri 
Published: January 2017

AbstractSeveral reported methods allow access to α‐arylated selenophenes, whereas the synthesis of β‐arylated selenophenes remains very challenging. Here, the Pd‐catalysed coupling of benzenesulfonyl chlorides with selenophenes affording regiospecific β‐arylated selenophenes is reported. The reaction proceeds with easily accessible catalyst, base and substrates, and tolerates a variety of substituents both on the benzene and selenophene moieties. This transformation allows the programmed synthesis of polyarylated selenophenes with potential applications in pharmaceutical and materials chemistry, as the installation of aryl groups at the desired positions can be achieved.
Mechanistic Studies of Cyclohexene Oxide/CO2 Copolymerization by a Chromium(III) Pyridylamine‐Bis(Phenolate) Complex
Authors: Devaine‐Pressing Katalin , Kozak Christopher M. 
Published: January 2017

AbstractChromium(III) chlorido amine‐bis(phenolate) complexes paired with nucleophilic co‐catalysts are a promising family of catalysts for the copolymerization of CO2 and epoxides to selectively produce polycarbonates with a very high degree of carbonate linkages. Single‐component catalyst systems can be prepared, where the neutral nucleophile, 4‐dimethylaminopyridine (DMAP), is coordinated to the metal site to provide a stable octahedral CrIII complex. These complexes possess the potential for both anionic (from the chlorido ligand) or neutral (DMAP) nucleophilic epoxide ring‐opening during the proposed rate‐determining initiation step. Concentration effect studies support a first‐order dependence of the polymerization rate on the concentration of single‐component catalyst. End‐group analysis of polycarbonates by MALDI‐TOF MS indicate the presence of predominantly DMAP‐initiated chains as well as the occurrence of chain‐transfer events resulting in ether linkages, likely from the presence of cyclohexene diol formed by the reaction of cyclohexene oxide and adventitious water.
Xenopus egg extract to study regulation of genome‐wide and locus‐specific DNA replication
Authors: Raspelli Erica , Falbo Lucia , Costanzo Vincenzo 
Published: January 2017

AbstractFaithful DNA replication, coupled with accurate repair of DNA damage, is essential to maintain genome stability and relies on different DNA metabolism genes. Many of these genes are involved in the assembly of replication origins, in the coordination of DNA repair to protect replication forks progression in the presence of DNA damage and in the replication of repetitive chromatin regions. Some DNA metabolism genes are essential in higher eukaryotes, suggesting the existence of specialized mechanisms of repair and replication in organisms with complex genomes. The impact on cell survival of many of these genes has so far precluded in depth molecular analysis of their function. The cell‐free Xenopus laevis egg extract represents an ideal system to overcome survival issues and to facilitate the biochemical study of replication‐associated functions of essential proteins in vertebrate organisms. Here, we will discuss how Xenopus egg extracts have been used to study cellular and molecular processes, such as DNA replication and DNA repair. In particular, we will focus on innovative imaging and proteomic‐based experimental approaches to characterize the molecular function of a number of essential DNA metabolism factors involved in the duplication of complex vertebrate genomes.
What we can learn from a tadpole about ciliopathies and airway diseases: Using systems biology in Xenopus to study cilia and mucociliary epithelia
Authors: Walentek Peter , Quigley Ian K. 
Published: January 2017

AbstractOver the past years, the Xenopus embryo has emerged as an incredibly useful model organism for studying the formation and function of cilia and ciliated epithelia in vivo. This has led to a variety of findings elucidating the molecular mechanisms of ciliated cell specification, basal body biogenesis, cilia assembly, and ciliary motility. These findings also revealed the deep functional conservation of signaling, transcriptional, post‐transcriptional, and protein networks employed in the formation and function of vertebrate ciliated cells. Therefore, Xenopus research can contribute crucial insights not only into developmental and cell biology, but also into the molecular mechanisms underlying cilia related diseases (ciliopathies) as well as diseases affecting the ciliated epithelium of the respiratory tract in humans (e.g., chronic lung diseases). Additionally, systems biology approaches including transcriptomics, genomics, and proteomics have been rapidly adapted for use in Xenopus, and broaden the applications for current and future translational biomedical research. This review aims to present the advantages of using Xenopus for cilia research, highlight some of the evolutionarily conserved key concepts and mechanisms of ciliated cell biology that were elucidated using the Xenopus model, and describe the potential for Xenopus research to address unresolved questions regarding the molecular mechanisms of ciliopathies and airway diseases.
Xenopus as a model for studies in mechanical stress and cell division
Authors: Stooke‐Vaughan Georgina A. , Davidson Lance A. , Woolner Sarah 
Published: January 2017

AbstractWe exist in a physical world, and cells within biological tissues must respond appropriately to both environmental forces and forces generated within the tissue to ensure normal development and homeostasis. Cell division is required for normal tissue growth and maintenance, but both the direction and rate of cell division must be tightly controlled to avoid diseases of over‐proliferation such as cancer. Recent studies have shown that mechanical cues can cause mitotic entry and orient the mitotic spindle, suggesting that physical force could play a role in patterning tissue growth. However, to fully understand how mechanics guides cells in vivo, it is necessary to assess the interaction of mechanical strain and cell division in a whole tissue context. In this mini‐review we first summarise the body of work linking mechanics and cell division, before looking at the advantages that the Xenopus embryo can offer as a model organism for understanding: (1) the mechanical environment during embryogenesis, and (2) factors important for cell division. Finally, we introduce a novel method for applying a reproducible strain to Xenopus embryonic tissue and assessing subsequent cell divisions.
TALENs and CRISPR/Cas9 fuel genetically engineered clinically relevant Xenopus tropicalis tumor models
Authors: Naert Thomas , Van Nieuwenhuysen Tom , Vleminckx Kris 
Published: January 2017

AbstractThe targeted nuclease revolution (TALENs, CRISPR/Cas9) now allows Xenopus researchers to rapidly generate custom on‐demand genetic knockout models. These novel methods to perform reverse genetics are unprecedented and are fueling a wide array of human disease models within the aquatic diploid model organism Xenopus tropicalis (X. tropicalis). This emerging technology review focuses on the tools to rapidly generate genetically engineered X. tropicalis models (GEXM), with a focus on establishment of genuine genetic and clinically relevant cancer models. We believe that due to particular advantageous characteristics, outlined within this review, GEXM will become a valuable alternative animal model for modeling human cancer. Furthermore, we provide perspectives of how GEXM will be used as a platform for elucidation of novel therapeutic targets and for preclinical drug validation. Finally, we also discuss some future prospects on how the recent expansions and adaptations of the CRISPR/Cas9 toolbox might influence and push forward X. tropicalis cancer research.
From questions to answers: Examining the role of pediatric surveillance units in eating disorder research
Authors: Katzman Debra K. , Madden Sloane , Nicholls Dasha , Mawjee Karizma , Norris Mark L. 
Published: January 2017

AbstractPediatric Surveillance Units (PSUs) provide a unique model for the study of pediatric eating disorders (EDs). Australia, Britain, and Canada have surveillance programs that have generated valuable epidemiological and clinical data on early‐onset eating disorders (EOED). The PSUs represent an important collaborative tool that has helped shape our understanding of EOEDs and offers potential to contribute to decisions regarding health resource allocation and public health policy. This paper reviews the role of PSUs as a unique model to study pediatric EDs and its success in translating the knowledge generated by these programs into improving the health of children and adolescents with EDs worldwide.