bluuebunny/crossref_metadata_2025_split huggingface dataset:
Stimuli‐Responsive Reversible Fluorescence Switching in a Crystalline Donor–Acceptor Mixture Film: Mixed Stack Charge‐Transfer Emission versus Segregated Stack Monomer Emission
Authors: Park Sang Kyu , Cho Illhun , Gierschner Johannes , Kim Jin Hong , Kim Jong H. , Kwon Ji Eon , Kwon Oh Kyu , Whang Dong Ryeol , Park Jung‐Hwa , An Byeong‐Kwan , Park Soo Young 
Published: November 2015

AbstractWe report on a molecularly tailored 1:1 donor–acceptor (D‐A) charge‐transfer (CT) cocrystal that manifests strongly red‐shifted CT luminescence characteristics, as well as noteworthy reconfigurable self‐assembling behaviors. A loosely packed molecular organization is obtained as a consequence of the noncentrosymmetric chemical structure of molecule A1, which gives rise to considerable free volume and weak intermolecular interactions. The stacking features of the CT complex result in an external stimuli‐responsive molecular stacking reorganization between the mixed and demixed phases of the D‐A pair. Accordingly, high‐contrast fluorescence switching (red↔blue) is realized on the basis of the strong alternation of the electronic properties between the mixed and demixed phases. A combination of structural, spectroscopic, and computational studies reveal the underlying mechanism of this stimuli‐responsive behavior.
High DNA‐Binding Affinity and Gene‐Transfection Efficacy of Bioreducible Cationic Nanomicelles with a Fluorinated Core
Authors: Wang Long‐Hai , Wu De‐Cheng , Xu Hang‐Xun , You Ye‐Zi 
Published: November 2015

AbstractDuring the last two decades, cationic polymers have become one of the most promising synthetic vectors for gene transfection. However, the weak interactions formed between DNA and cationic polymers result in low transfection efficacy. Furthermore, the polyplexes formed between cationic polymers and DNA generally exhibit poor stability and toxicity because of the large excess of cationic polymer typically required for complete DNA condensation. Herein, we report the preparation of a novel class of bioreducible cationic nanomicelles by the use of disulfide bonds to connect the cationic shell to the fluorocarbon core. These bioreducible nanomicelles form strong interactions with DNA and completely condense DNA at an N/P ratio of 1. The resulting nanomicelle/DNA polyplexes exhibited high biocompatibility and performed very effectively as a gene‐delivery system.
Funktionalisierung von Aryllithium‐Regioisomerengemischen durch selektive Abfangreaktionen mit Zirconocendichlorid
Authors: Castelló‐Micó Alicia , Herbert Simon A. , León Thierry , Bein Thomas , Knochel Paul 
Published: November 2015

AbstractDie Reaktion von Aryllithium‐Regioisomerengemischen, dargestellt durch direkte Lithiierung oder durch Br‐Li‐Austausch, mit substöchiometrischen Mengen an Cp2ZrCl2 verläuft mit hoher Regioselektivität. Das am wenigsten gehinderte Regioisomer wird selektiv zur entsprechenden Arylzirconiumspezies transmetalliert, wobei die stärker gehinderte Aryllithiumverbindung zurückbleibt, um weitere Reaktionen mit Elektrophilen einzugehen. Mit dieser regioselektiven Transmetallierung von Li auf Zr wurden alle drei lithiierten Regioisomere von 1,3‐Bis(trifluormethyl)benzol synthetisiert.
Role of the Symmetry of Multipoint Hydrogen Bonding on Chelate Cooperativity in Supramolecular Macrocyclization Processes
Authors: Montoro‐García Carlos , Camacho‐García Jorge , López‐Pérez Ana M. , Mayoral María J. , Bilbao Nerea , González‐Rodríguez David 
Published: November 2015

AbstractHerein, we analyze the intrinsic chelate effect that multipoint H‐bonding patterns exert on the overall energy of dinucleoside cyclic systems. Our results indicate that the chelate effect is regulated by the symmetry of the H‐bonding pattern, and that the effective molarity is reduced by about three orders of magnitude when going from the unsymmetric ADD–DAA or DDA–AAD patterns to the symmetric DAD–ADA pattern.
An Exclusively trans‐Selective Chlorocarbamoylation of Alkynes Enabled by a Palladium/Phosphaadamantane Catalyst
Authors: Le Christine M. , Hou Xiao , Sperger Theresa , Schoenebeck Franziska , Lautens Mark 
Published: November 2015

AbstractPharmaceutically relevant methylene oxindoles are synthesized by a palladium(0)‐catalyzed intramolecular chlorocarbamoylation reaction of alkynes. A relatively underexplored class of caged phosphine ligands is uniquely suited for this transformation, enabling high levels of reactivity and exquisite trans selectivity. This report entails the first transition‐metal‐catalyzed atom‐economic addition of a carbamoyl chloride across an alkyne.
A Light‐Activated Olefin Metathesis Catalyst Equipped with a Chromatic Orthogonal Self‐Destruct Function
Authors: Sutar Revannath L. , Levin Efrat , Butilkov Danielle , Goldberg Israel , Reany Ofer , Lemcoff N. Gabriel 
Published: November 2015

AbstractA sulfur‐chelated photolatent ruthenium olefin metathesis catalyst has been equipped with supersilyl protecting groups on the N‐heterocyclic carbene ligand. The silyl groups function as an irreversible chromatic kill switch, thus decomposing the catalyst when it is irradiated with 254 nm UV light. Therefore, different types of olefin metathesis reactions may be started by irradiation with 350 nm UV light and prevented by irradiation with shorter wavelengths. The possibility to induce and impede catalysis just by using light of different frequencies opens the pathway for stereolithographic applications and novel light‐guided chemical sequences.
Synergistic effects of zinc oxide in montmorillonite flame‐retardant polystyrene nanocomposites
Authors: Han Yongqin , Li Tingxi , Gao Bo , Gao Li , Tian Xiujuan , Zhang Qiang , Wang Yanmin 
Published: November 2015

ABSTRACTIn this study, two‐dimensional organic montmorillonite (OMMT) and one‐dimensional needlelike ZnO were used as flame retardants of polystyrene (PS). Polystyrene/organic montmorillonite (PMT) and polystyrene/organic montmorillonite/zinc oxide nanocomposites (PMZs) with different weight ratios were prepared by melt intercalation. Information on the morphologies and structures of the PS nanocomposites was obtained with Fourier transform infrared spectroscopy, X‐ray diffraction, scanning electron microscopy, and transmission electron microscopy. The results indicate that a mixed exfoliated–intercalated structure was observed in the PMT and PMZs. Dynamic mechanical thermal analysis showed that both the storage modulus and glass‐transition temperature values of the PMT and PMZs were significantly improved compared with those of the neat PS. The mechanical property tests showed that the bending modulus values of both PM5 (PS/OMMT weight ratio = 95:5) and PMZs increased compared with that of pristine PS. PMZ1 (PS/OMMT/ZnO weight ratio = 94:5:1) provided no decrease in the tensile strength in comparison with PS. A synergistic effect was observed between OMMT and ZnO; this resulted in improvements in the flame retardancy and dynamic mechanical properties in the PMZs. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43047.
Smart composite useful to acid release
Authors: Grance Ellen O. , dos Santos E. R. F. , Andrade Camila , Oliveira G. E. , Pinto Jose Carlos , Nele Marcio , Souza Fernando G. 
Published: November 2015

ABSTRACTThis work presents a smart composite prepared using a resin based on cardanol and furfural, filled with Al2O3. This material is inert at room temperature. However, it is able to release an active substance after a certain temperature is reached. The obtained materials were characterized by Fourier transform spectroscopy, X‐ray diffraction, scanning electron microscopy, thermal gravimetric analysis, and differential scanning calorimetry. In addition, cure degree and acid‐release tests were performed. According to the obtained data, acid is trapped inside the composites, remaining inactive in the structure while the melting temperature of the hydrophobic shell is not reached. After it is, acid is released and the pH decreases. Therefore, this smart composite could be useful in speeding up drilling in sedimentary rocks with a combination of chemical (acid release) and physical (mechanical wear) mechanisms. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43071.
Removal of Cr(VI) from aqueous solution using amino‐modified Fe3O4–SiO2–chitosan magnetic microspheres with high acid resistance and adsorption capacity
Authors: Sun Xitong , Yang Liangrong , Dong Tingting , Liu Zhini , Liu Huizhou 
Published: November 2015

ABSTRACTA novel, bioadsorbent material of polyethylenimine‐modified magnetic chitosan microspheres enwrapping magnetic silica nanoparticles (Fe3O4–SiO2–CTS‐PEI) was prepared under relatively mild conditions. The characterization results indicated that the adsorbent exhibited high acid resistance and magnetic responsiveness. The Fe3O4 loss of the adsorbent was measured as 0.09% after immersion in pH 2.0 water for 24 h, and the saturated magnetization was 11.7 emu/g. The introduction of PEI obviously improved the adsorption capacity of Cr(VI) onto the adsorbent by approximately 2.5 times. The adsorption isotherms and kinetics preferably fit the Langmuir model and the pseudo‐second‐order model. The maximum adsorption capacity was determined as 236.4 mg/g at 25°C, which was much improved compared to other magnetic chitosan materials, and the equilibrium was reached within 60 to 120 min. The obtained thermodynamic parameters revealed the spontaneous and endothermic nature of the adsorption process. Furthermore, the Cr(VI)‐adsorbed adsorbent could be effectively regenerated using a 0.1 mol/L NaOH solution, and the adsorbent showed a good reusability. Due to the properties of good acid resistance, strong magnetic responsiveness, high adsorption capacity, and relatively rapid adsorption rate, the Fe3O4–SiO2–CTS‐PEI microspheres have a potential use in Cr(VI) removal from acidic wastewater. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43078.
Structure–properties investigations in hydrophilic nanocomposites based on polyurethane/poly(2–hydroxyethyl methacrylate) semi‐interpenetrating polymer networks and nanofiller densil for biomedical application
Authors: Klonos Panagiotis , Chatzidogiannaki Vasileia , Roumpos Konstantinos , Spyratou Ellas , Georgiopoulos Panayiotis , Kontou Evagelia , Pissis Polycarpos , Gomza Yuriy , Nesin Stanislav , Bondaruk Oksana , Karabanova Lyudmyla 
Published: November 2015

ABSTRACTNanocomposites based on sequential semi–interpenetrating polymer networks (semi–IPNs) of crosslinked polyurethane and linear poly(2‐hydroxyethyl methacrylate) filled with 1–15 wt % of nanofiller densil were prepared and investigated. Nanofiller densil used in an attempt to control the microphase separation of the polymer matrix by polymer–filler interactions. The morphology (SAXS, AFM), mechanical properties (stress–strain), thermal transitions (DSC) and polymer dynamics (DRS, TSDC) of the nanocomposites were investigated. Special attention has been paid to the raising of the hydration properties and the dynamics of water molecules in the nanocomposites in the perspective of biomedical applications. Nanoparticles were found to aggregate partially for higher than 3 and 5 wt % filler loading in semi–IPNs with 17 and 37 wt % PHEMA, respectively. The results show that the good hydration properties of the semi–IPN matrix are preserved in the nanocomposites, which in combination with results of thermal and dielectric techniques revealed also the existence of polymer–polymer and polymer–filler interactions. These interactions results also in the improvement of physical and mechanical properties of the nanocomposites in compare with the neat matrix. The improvement of mechanical properties in combination with hydrophilicity and biocompatibility of nanocomposites are promising for use these materials for biomedical application namely as surgical films for wound treatment and as material for producing the medical devises. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43122.
Investing in Natural Capital and Getting Returns: An Ecosystem Service Approach
Authors: van den Belt Marjan , Blake Daniella 
Published: November 2015

AbstractThe dependence of people and economies on natural capital is still undervalued. One reason is that values related to our global life support system are largely outside the market place, beyond the notion of price and often invisible. An ecosystem service approach aims to make visible the ensuing benefits people derive from natural capital at multiple scales, traversing private and public domains. Plural objectives require a broader notion of return on investment (ROI). This paper discusses characteristics of and a changing context in which ROI is used to invest in natural capital and highlights key aspects to achieve ROI on natural capital through an ecosystem service approach: space, time and values. This conceptual paper uses agro‐ecosystems as an example to illustrate this approach from farm to catchment scale. Copyright © 2015 John Wiley & Sons, Ltd and ERP Environment
Using Management Control Systems to Implement CSR Activities: An Empirical Analysis of 12 Japanese Companies
Authors: Hosoda Masahiro , Suzuki Kenichi 
Published: November 2015

AbstractManagement accounting research regarding corporate social responsibility (CSR) implementation in Japan has yet to address the lack of empirical research examining the processes, styles and efficacy of communicating CSR activities. Thus, this study conducts survey interviews with 12 Japanese corporations to examine how Japanese companies implement CSR activities in terms of the formal control system (FCS) and informal control system (ICS) of management control systems (MCS). The results of these interviews identified how Japanese managers employ the MCS approach to implement CSR. Hoshin kanri, a non‐financial control component of the FCS, supports successful implementation of CSR under the organizational climate dictated by the ICS. This MCS approach is enhanced by three factors that reflect characteristics of Japanese management: employee commitment, a consensus decision making process and long‐term management. Copyright © 2015 John Wiley & Sons, Ltd and ERP Environment
Sustainable Supply Chain Management: Motivators and Barriers
Authors: Sajjad Aymen , Eweje Gabriel , Tappin David 
Published: November 2015

AbstractSustainable supply chain management (SSCM) is increasingly becoming a topical issue for business research and practice. However, there is a dearth internationally of empirical research that has investigated the factors propelling companies to integrate or inhibiting them from integrating sustainability principles in their supply chain management (SCM). Therefore, this study examines the motivators for and barriers to SSCM adoption in the New Zealand business context and aims to contribute to an improved understanding of the motivators of and barriers to SSCM implementation. To this end, an exploratory case study was conducted and senior managers of four large New Zealand based companies were interviewed. The results reveal that sustainability values of top management, a desire to reduce risk and stakeholder management are salient motivators for SSCM adoption. Conversely, a lack of supplier awareness, negative perceptions and inadequate government support are identified as barriers to SSCM implementation. Copyright © 2015 John Wiley & Sons, Ltd and ERP Environment
Architecture to develop semi‐virtual industrial laboratories for the interactive learning of process automation
Authors: Rodríguez Francisco , del Mar Castilla Maria , Sánchez Jorge Antonio , Pawlowski Andrzej , Moreno Jose Carlos 
Published: November 2015

ABSTRACTThis paper presents a hardware and software architecture for the development of educational laboratories, through the connection of real Programmable Logic Controllers (PLCs) to industrial virtual plants. In addition, to illustrate the use of the proposed architecture, two laboratories based on a bottling plant and the automatic irrigation process of a greenhouse using Modicon M340 PLCs of Schneider have been developed. Moreover, real feedback results from students of the Bachelor degree in agricultural engineering degrees are provided and analyzed. © 2015 Wiley Periodicals, Inc Comput Appl Eng Educ 24:335–346, 2016; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21709
Bimetallic Nanoshells as Platforms for Metallo‐ and Biometallo‐Catalytic Applications
Authors: Kisukuri Camila M. , Palmeira Dayvson J. , Rodrigues Thenner S. , Camargo Pedro H. C. , Andrade Leandro H. 
Published: November 2015

AbstractThe use of gold, silver, platinum and palladium for preparation of bimetallic nanoshells (AgAu, AgPt, and AgPdNSs, respectively) and their use for metallo‐ and bio‐metallo catalytic applications have been described. Bimetallic nanoshells (metallo‐catalysts) were employed for silane oxidation to silanols and hydrogen (H2) production. Fast and efficient oxidation of several silanes was observed after only 1 h at room temperature, by employing AgPd NSs as catalyst, acetone as solvent, and water as oxidant. Interestingly, bio‐metallo‐catalysts (NSs‐CALB) prepared from lipase attachment to the bimetallic nanoshells, displayed promising bi‐catalytic activities (enzymatic: transesterification; metallic: silane oxidation).
Influence of Physicochemical Parameters of Organic Solutes on the Retention and Flux in a Nanofiltration Process
Authors: Hidalgo Asunción M. , Gómez María , Murcia María D. , Gómez Elisa , León Gerardo , Cascales Elisa 
Published: November 2015

AbstractA comparative study of several organic compounds (atrazine, aniline and phenol, and their derivatives, 4‐chlorophenol, 4‐nitrophenol and 4‐nitroaniline) and their removal from aqueous solutions by nanofiltration using an NF‐97 polyamide membrane is presented. The aim was to ascertain any correlation between the physicochemical parameters of the different compounds and the characteristic parameters of the nanofiltration system (permeate flux and rejection coefficient), in order to understand the behavior of the nanofiltration membrane separation processes and any relevant variables. In a previous work, the rejection coefficients and permeate flux values for phenol, 4‐chlorophenol, aniline, and atrazine were obtained. These values were used together with the new ones presented for 4‐nitroaniline and 4‐nitrophenol.
Significant Gas Adsorption and Catalytic Performance by a Robust CuII–MOF Derived through Single‐Crystal to Single‐Crystal Transmetalation of a Thermally Less‐Stable ZnII–MOF
Authors: Pal Tapan K. , De Dinesh , Neogi Subhadip , Pachfule Pradip , Senthilkumar S. , Xu Qiang , Bharadwaj Parimal K. 
Published: November 2015

AbstractBy using a bent tetracarboxylic acid ligand that incorporates a pendent ‐NH2 functional group, a 3D ZnII‐framework (1) based on Zn2(CO2)4 secondary building units and Zn12(CO2)24 supramolecular building blocks has been synthesized. Framework 1 is thermally less stable, which precludes its application as a porous framework for gas adsorption or catalytic studies. This framework undergoes single‐crystal to single‐crystal transmetalation to give isostructural 1Cu. Unlike 1, the CuII analogue is very stable and can be activated by removing metal‐bound lattice solvent molecules by heating to afford 1Cu′. The activated 1Cu′ exhibits excellent H2 storage (2.29 wt %) at 77 K and a high 32.1 wt % CO2 uptake at 273 K. Additionally, it displays significant selectivity for CO2 adsorption over N2 and H2 and can catalyse size‐selective Knoevenagel condensation reactions.
Domino Carbopalladation/CH Functionalization Sequence: An Expedient Synthesis of Bis‐Heteroaryls through Transient Alkyl/Vinyl–Palladium Species Capture
Authors: Sharma Upendra K. , Sharma Nandini , Kumar Yogesh , Singh Brajendra K. , Van der Eycken Erik V. 
Published: November 2015

AbstractA microwave‐assisted highly efficient intermolecular domino carbopalladation/CH functionalization sequence has been developed to access bis‐heteroaryl frameworks in a single operation. The reaction involves carbopalladation of the halogenated acrylamides or phenylpropiolamides by the Pd(0) catalysis, followed by the direct (hetero)arylation to give products with good to excellent yields. The synthetic utility of this method was also extended towards the application of the Ugi‐adduct as the starting material.
Improving the Analytical Performance of Graphene Oxide towards the Assessment of Polyphenols
Authors: Hui Kai Hwee , Ambrosi Adriano , Pumera Martin , Bonanni Alessandra 
Published: November 2015

AbstractThe presence of oxygen functionalities on graphene surface has enormous influence on its electrochemical and electroanalytical properties. The oxygen‐containing groups on graphene platforms can strongly affect the electrochemical response, being either detrimental for the heterogeneous charge transfer or promoting a favourable interaction with the specific analyte. In this study, by electrochemically reducing graphene oxide material at increasing negative potentials (from −0.25 to −1.50 V) we obtained eight electrochemically reduced graphene oxide (ERGO) platforms carrying a decreasing amount of oxygen functionalities. Subsequently, we analysed the electroanalytical response of each ERGO material for the detection of gallic acid, a standard polyphenol that is correlated to the antioxidant activity of food and beverages. The graphene platform providing the best electroanalytical performance in terms of sensitivity, selectivity and linearity of response was then employed for the analysis of commercial fruit juice samples. Herein we demonstrated that graphene materials can be electrochemically tuned to optimise their electrochemical response towards the detection of biologically important analytes.
Development of the Travelling Wave Bioreactor. Part II: Engineering Characteristics and Cultivation Results
Authors: Kaiser Stephan C. , Perepelitsa Nadezda , Kraume Matthias , Eibl Dieter 
Published: November 2015

AbstractThe innovative travelling wave bioreactor (TWB), an orbitally shaken system, developed specifically for cell culture applications, is investigated. In this study, engineering parameters covering power input, mixing time and oxygen mass transfer obtained in two TWB prototypes are presented for the first time. Based on the results, cultivation parameters for CHO suspension cell cultivations were defined. Cell growth and substrate consumption were comparable with a wave‐mixed reference bioreactor, which demonstrates the bioreactor's applicability for cultivations of mammalian cell cultures for the first time.
Ein schneller Entwurf von Fed‐Batch‐Kultivierungen durch robuste multimodellbasierte Optimierung
Authors: Krämer Dominik , Herold Sebastian , King Rudibert 
Published: November 2015

AbstractBasierend auf wenigen Experimenten wird für den Mikroorganismus Paenibacillus polymyxa durch eine modellbasierte nichtlineare Optimierung der Fütterstrategie die Ausbeute des produzierten Antibiotikums Macrolactin verbessert. Dazu werden mithilfe einer automatisierten Modellbildung in relativ kurzer Zeit zahlreiche einfach‐strukturierte Prozessmodelle erstellt, die alle die Experimente zufriedenstellend beschreiben können. Da mit der Vorlage von nur wenigen Experimenten mit einer größeren Unsicherheit der Modellauswahl zu rechnen ist, wird diese bei der Planung der Kultivierung berücksichtigt. So können große Abweichungen zwischen Planung und experimentellen Ergebnissen vermieden werden. Nach einer Vorstellung der methodischen Grundlagen wird das Konzept anhand von vier Identifikationsversuchen und einer optimierten Kultivierung demonstriert.