bluuebunny/crossref_metadata_2025_split huggingface dataset:
Near‐Infrared Quadrupolar Chromophores Combining Three‐Coordinate Boron‐Based Superdonor and Superacceptor Units
Authors: Stennett Tom E. , Bissinger Philipp , Griesbeck Stefanie , Ullrich Stefan , Krummenacher Ivo , Auth Michael , Sperlich Andreas , Stolte Matthias , Radacki Krzysztof , Yao Chang‐Jiang , Würthner Frank , Steffen Andreas , Marder Todd B. , Braunschweig Holger 
Published: February 2019

AbstractHerein, two new quadrupolar acceptor‐π‐donor‐π‐acceptor (A‐π‐D‐π‐A) chromophores have been prepared featuring a strongly electron‐donating diborene core and strongly electron‐accepting dimesitylboryl (BMes2) and bis(2,4,6‐tris(trifluoromethyl)phenyl)boryl (BFMes2) end groups. Analysis of the compounds by NMR spectroscopy, X‐ray crystallography, cyclic voltammetry, and UV/Vis‐NIR absorption and emission spectroscopy indicated that the compounds have extended conjugated π‐systems spanning their B4C8 cores. The combination of exceptionally potent π‐donor (diborene) and π‐acceptor (diarylboryl) groups, both based on trigonal boron, leads to very small HOMO–LUMO gaps, resulting in strong absorption in the near‐IR region with maxima in THF at 840 and 1092 nm and very high extinction coefficients of ca. 120 000 m−1 cm−1. Both molecules also display weak near‐IR fluorescence with small Stokes shifts.
Antibacterial activity of transition metal complexes containing a tridentate NNO phenoxymethylpenicillin‐based Schiff base. An anti‐MRSA iron (II) complex
Authors: Anacona Juan Roberto , Ruiz Karen , Loroño Marcos , Celis Freddy 
Published: February 2019

Transition metal complexes containing a phenoxymethylpenicillin‐derived Schiff base (HL) 3 obtained from the condensation of phenoxymethylpenicillin (PMP) 1, with 1,2‐diaminobenzene 2, were prepared. Spectroscopic and physicochemical techniques, namely, UV–Vis, FT‐IR, 1H‐NMR, EPR, mass spectrometry, magnetic susceptibility, molar conductance, DFT studies, together with elemental and thermal analyses were used to characterize the synthesized complexes. Based on the characterization studies, the general formulae [ML (OAc)(H2O)2] where M = Fe 4, Co 5, Ni 6, Cu 7, and Zn 8, were proposed for the complexes. The Schiff base ligand 3 behaved as a monoanionic tridentate NNO chelating agent. On the basis of magnetic and spectral data an octahedral geometry for all the complexes was suggested.Schiff base ligand 3, and the metal complexes 4–8 were tested against G(+) or bactericidal activity by agar disc diffusion method and minimal inhibitory concentration (MIC). The results were compared with the activity of the standard drug PMP 1. In vitro bacterial viability revealed that 3 had similar activity than 1 and exhibited modification in its bactericidal activity when formed metal complexes. It was found that the complexes 4, 6 and 7 exhibited much better bactericidal activity than 1 against methicillin‐resistant Staphilococcus Aureus (MRSA) being complex 4 the most promising compound showing a MIC value of 0.042 μmol/ml.
In vitro cytotoxic and apoptotic effect of vic‐dioxime ligand and its metal complexes
Authors: Çelik Tülay Aşkın , Sarikavakli Nursabah , Aslantürk Özlem Sultan 
Published: February 2019

In this study, vic‐dioxime ligand, (1E,2E)‐2‐(hydroxyimino)‐N′‐[(1E)‐2‐oxo‐2‐phenylethylidene]ethanehydroximohydrazide (LH2), and its Cu (II) and Ni (II) transition metal complexes were synthesized and characterized using analytical and spectroscopic techniques. Furthermore, in vitro cytotoxic and apoptotic effects of this vic‐dioxime ligand and its Cu (II) and Ni (II) complexes on Caco‐2 heterogeneous human epithelial colorectal adenocarcinoma cells were evaluated. The effect of the vic‐dioxime ligand and its Ni (II) and Cu (II) complexes in combination with Campto on the cells was also investigated. The cytotoxicity test was carried using the MTT assay, and the apoptotic effect was tested by DNA diffusion assay. Campto was used as a standard anti‐cancer drug, Caco‐2 cancer cells treated with dimethylsulfoxide acted as solvent control, and human peripheral lymphocytes were used as control.The ligand and its complexes exhibit concentration‐dependent cytotoxic and apoptotic behavior. The ligand induces the weakest cytotoxic and apoptotic effects on both Caco‐2 cancer cells and lymphocytes. The Ni (II) complex of ligand induces high cytotoxic and apoptotic effects on both Caco‐2 cancer cells and lymphocytes. The Cu (II) complex of ligand has high cytotoxic and apoptotic effects on Caco‐2, but weak cytotoxic and apoptotic effects on lymphocytes. The cytotoxic and apoptotic effects of the ligand and its Ni (II) and Cu (II) complexes were found to be concentration dependent, i.e. the higher the concentration is the more cytotoxic it will be. The present findings suggest that Cu (II) complex has the potential to act as a promising anti‐cancer compound against Caco‐2 colon cancer cells.
Sustainability‐oriented capabilities for eco‐innovation: Meeting the regulatory, technology, and market demands
Authors: Demirel Pelin , Kesidou Effie 
Published: February 2019

AbstractDespite consensus in the literature that regulation, technology push, and market pull drive eco‐innovation (EI), evidence remains limited on the diverse firm capabilities needed to boost EI. Building on the natural‐resource‐based view of the firm and the EI literature, this paper posits that firms need to renew and realign their capabilities, and ultimately develop distinctive sustainability‐oriented capabilities, in order to meet the rapidly changing regulatory, technology, and market demands. Results of the analysis, based on a survey of U.K. firms, reveal that EIs are more likely to arise when firms (a) build capabilities on voluntary self‐regulation (i.e., executive driven environmental management system and corporate social responsibility) because such organizational capabilities allow them to address increasing regulatory pressures; (b) invest in environmental research and development (i.e., eco‐R&D)—instead of generic research and development—because it provides them with the relevant and specific technological capabilities to tackle technology shifts towards sustainability; and (c) develop capabilities in green market sensing as such capabilities allow them to address green consumption needs.
Ambidextrous culture, contextual ambidexterity and new product innovations: The role of organizational slack and environmental factors
Authors: Khan Sher Jahan , Mir Ajaz Akbar 
Published: February 2019

AbstractContextual ambidexterity, defined as the simultaneous pursuit of alignment and adaptability at business unit, is linked to several organizational outcomes including improved performance and innovation outcomes. Extant research posits ambidextrous organizational culture as an important enabler to contextual ambidexterity but suffers from a lack of a well‐meaning scale for the same. In addition, there is very little understanding as to how tasking and facilitating environment can be on firms' endeavour for contextual ambidexterity and the outcomes thereof. Therefore, the current piece of research has twin objectives using two separate studies. First, to develop a scale for ambidextrous organizational culture construct and second, to analyse the role played by the external forces (munificence and dynamism) and internal slack resources on the relationships between ambidextrous organizational culture and contextual ambidexterity and between contextual ambidexterity and new product innovation outcomes through an empirical investigation in India. Using structural equation modelling on data from 414 respondents, we found environmental munificence to strengthen the relationships between ambidextrous organizational culture and contextual ambidexterity and between contextual ambidexterity and new product innovation outcomes. On the other hand, environmental dynamism had a dampening impact on these relationships. Our findings also suggest that for low slack organizations, dynamic and unmunificent environments magnified the negative impact on an organisation's ambidexterity efforts and new product innovation outcomes.
Safeguarding Children who are Exposed to Abuse Linked to Faith or Belief
Authors: Oakley Lisa , Kinmond Kathryn , Humphreys Justin , Dioum Mor 
Published: February 2019

Cases of child abuse linked to faith or belief (CALFB) continue to be documented. However, there is limited research and understanding of CALFB. Further, there is a lack of clarity of definition. These factors then impact upon effective practice. Recognising this, the National Working Group for CALFB called for research on which to develop evidence‐based practice. This paper reports on key findings from a mixed‐method online survey which was completed by 1361 participants from a range of practitioner and community groups. The participants identified the importance of policy and multiagency working in this area, but they acknowledged the complexity and challenges associated with developing and implementing good practice. Recommendations from the study include a review of relevant policy to evaluate its application to CALFB, the development of faith literacy training for frontline practitioners and the creation of a space in which statutory, faith and community groups can dialogue. © 2019 John Wiley & Sons, Ltd.‘There is limited research and understanding of child abuse linked to faith or belief’Key Practitioner Messages

Frontline workers express a lack of understanding and experience of child abuse linked to faith or belief (CALFB), and all require specific training.
There is a need for faith literacy training and a space for statutory and faith‐based communities to dialogue in order to build trust, formulate policy and share good practice.
Policy around CALFB needs to be formulated and translated into practice.
Phytochemical Characterization and Biological Activities of a Hydroalcoholic Extract Obtained from the Aerial Parts of Matthiola incana (L.) R.Br. subsp. incana (Brassicaceae) Growing Wild in Sicily (Italy)
Authors: Miceli Natalizia , Cavò Emilia , Ragusa Salvatore , Cacciola Francesco , Dugo Paola , Mondello Luigi , Marino Andreana , Cincotta Fabrizio , Condurso Concetta , Taviano Maria Fernanda 
Published: February 2019

AbstractThis study aimed to characterize the phenolic and the volatile constituents and to establish the antioxidant potential and the toxicity of a hydroalcoholic extract obtained from the leaves and flower buds of Matthiola incana (L.) R.Br. subsp. incana growing wild in Sicily (Italy). By HPLC‐PDA/ESI‐MS analysis, 12 phenolics (two phenolic acid derivatives and ten flavonoids) were identified, and eight of them were reported for the first time; luteolin‐glucoside was the main component (57.07 mg/g±0.87 % RSD). By SPME‐GC/MS, 47 volatile constituents were fully characterized, and dimethyl trisulfide turned out to be the most abundant one (33.24 %). The extract showed moderate activity both in the DPPH and in the reducing power assays (IC50=2.32±0.24 mg/mL; ASE/mL=12.29±0.42); it did not inhibit the lipid peroxidation, whereas it was found to possess good chelating properties reaching approximately 90 % activity at the highest tested dose. Moreover, the extract protected growth and survival from H2O2‐induced oxidative stress in Escherichia coli. Finally, the extract was non‐toxic against Artemia salina (LC50>1000 μg/mL). These findings increase the knowledge of M. incana subsp. incana and they could be helpful to a chemosystematic distinguishing of this subspecies also demonstrating that the aerial parts represent a safe source of antioxidants.
Unprecedented Multicomponent Organocatalytic Synthesis of Propargylic Esters via CO2 Activation
Authors: Papastavrou Argyro T. , Pauze Martin , Gómez‐Bengoa Enrique , Vougioukalakis Georgios C. 
Published: February 2019

AbstractAn efficient and straightforward organocatalytic method for the direct, multicomponent carboxylation of terminal alkynes with CO2 and organochlorides, towards propargylic esters, is reported for the first time. 1,3‐Di‐tert‐butyl‐1H‐imidazol‐3‐ium chloride, a simple, widely‐available, stable, and cost‐efficient N‐heterocyclic carbene (NHC) precursor salt was used as the (pre)catalyst. A wide range of phenylacetylenes, bearing electron‐withdrawing or electron‐donating substituents, react with allyl‐chlorides, benzyl chlorides, or 2‐chloroacetates, providing the corresponding propargylic esters in low to excellent yields. DFT calculations on the mechanism of this transformation indicate that the reaction is initiated with the formation of an NHC‐carboxylate, by addition of the carbene to a molecule of CO2. Then, the nucleophilic addition of this species to the corresponding chlorides has been computed to be the rate limiting step of the process.
Three‐Dimensional Porous CoFe2O4/Graphene Composite for Highly Stable Sodium‐Ion Batteries
Authors: Zhou Dan , Xue Li‐Ping , Wang Ning 
Published: February 2019

AbstractSodium‐ion batteries (SIBs) are promising alternatives to lithium‐ion batteries (LIBs), because of the low cost and great potential in large‐scale energy storage. Herein, we present a simple two‐step hydrothermal route to construct a novel CoFe2O4/graphene composite. The composite is composed of nanoporous CoFe2O4 hollow spheres that are well‐anchored onto nitrogen‐doped graphene sheets (CoFe2O4@3D‐NG) with a unique 3D network structure, which can not only offer short pathways for Na+ diffusion and conductive networks for electron transport, but also render sufficient active sites for Na+ interfacial reaction and rigid structural stability for volume expansion. When used as an anode material for SIBs, the CoFe2O4@3D‐NG electrode delivers an impressively high performance of Na storage, which includes a large initial discharge capacity of 596 mAh g−1 at 50 mA g−1, a high rate capability of 79 mAh g−1 at 1000 mA g−1, and a long cyclability of 118 mAh g−1 after 1200 cycles at 500 mA g−1. This work indicates a promising way to design and fabricate advanced CoFe2O4‐based anode materials for high‐performance Na‐storage.
Fundamental Input of Analytical Electrochemistry in the Determination of Intermediates and Reaction Mechanisms in Electrosynthetic Processes
Authors: Labbé Eric , Buriez Olivier 
Published: February 2019

AbstractElectroanalytical techniques like cyclic voltammetry allow convenient and fast identification of the redox status and stability of intermediates generated at electrodes in electrosynthetic processes. Accordingly, reliable mechanistic features can also be derived from the electrochemical characterization of the reactive species, and in some cases, complete and complex mechanisms can be disclosed. This Minireview highlights some representative examples taken from metal‐catalyzed electro‐reductive processes where simple electrochemical approaches provide essential information on the nature and the fate of the species formed. A special focus is made on cobalt‐promoted electrosynthetic processes, owing to the broad range of situations they display towards the stability of electrogenerated species, their reactivity, and the possible follow‐up reactions.
Fluorolytic Sol–Gel Route and Electrochemical Properties of Polyanionic Transition‐Metal Phosphate Fluorides
Authors: Goubard‐Bretesché Nicolas , Kemnitz Erhard , Pinna Nicola 
Published: February 2019

AbstractFluorine‐containing polyanionic compounds have attracted much attention in the last few years as potential positive electrode materials for rechargeable batteries. With their formula AaMbXcO4Yd (A=Li, Na…; M=Ti, V, Mn, Fe, Co, Ni…; X=P or S, and Y=F, OH, O), they offer a very rich chemistry and their electrochemical properties can be tuned by carefully choosing the different constituting elements. However, synthesis approaches that allow these materials to be obtained at low temperature are almost nonexistent. In this paper, the use of a nonaqueous fluorolytic sol–gel approach is reported to synthesize a tavorite‐type LiFePO4F material and its electrochemical characterization was performed. The obtained material displays an electrochemical performance that positively compares with the literature with an excellent cycling stability (115 mA h−1 g−1 after 100 cycles at C/2 rate). A slight change in the synthesis parameters allowed Li2CoPO4F to be successfully obtained, demonstrating the versatility of the reported route, which can be adapted to synthesize other fluorine‐containing polyanionic compounds, which are of great interest for energy storage applications.
Structural Distortion of Cycloalkynes Influences Cycloaddition Rates both by Strain and Interaction Energies
Authors: Hamlin Trevor A. , Levandowski Brian J. , Narsaria Ayush K. , Houk Kendall N. , Bickelhaupt F. Matthias 
Published: February 2019

AbstractThe reactivities of 2‐butyne, cycloheptyne, cyclooctyne, and cyclononyne in the 1,3‐dipolar cycloaddition reaction with methyl azide were evaluated through DFT calculations at the M06‐2X/6‐311++G(d)//M06‐2X/6‐31+G(d) level of theory. Computed activation free energies for the cycloadditions of cycloalkynes are 16.5–22.0 kcal mol−1 lower in energy than that of the acyclic 2‐butyne. The strained or predistorted nature of cycloalkynes is often solely used to rationalize this significant rate enhancement. Our distortion/interaction–activation strain analysis has been revealed that the degree of geometrical predistortion of the cycloalkyne ground‐state geometries acts to enhance reactivity compared with that of acyclic alkynes through three distinct mechanisms, not only due to (i) a reduced strain or distortion energy, but also to (ii) a smaller HOMO–LUMO gap, and (iii) an enhanced orbital overlap, which both contribute to more stabilizing orbital interactions.
Spot‐on SERS Detection of Biomolecules with Laser‐Patterned Dot Arrays of Assembled Silver Nanowires
Authors: Banchelli Martina , Amicucci Chiara , Ruggiero Emmanuel , D'Andrea Cristiano , Cottat Maximilien , Ciofini Daniele , Osticioli Iacopo , Ghini Giacomo , Siano Salvatore , Pini Roberto , de Angelis Marella , Matteini Paolo 
Published: February 2019

AbstractUnique characteristics of SERS including the possibility to reveal the compositional and structural content of trace amounts of biological samples without any pre‐treatment, depict this technique as a promising label‐free alternative to standard analytical methods. Despite significant advancements, current SERS substrates for biomolecule detection suffer from a number of issues still impeding their routine usage and commercial exploitation, including complex and expensive fabrication procedures and scarce standardization perspectives. Herein a combined bottom up/top down scheme based on flow‐through method plus laser patterning is proposed to prepare dot arrays of silver nanowires on a hydrophobic substrate for catching the analyte content from a minute amount of liquid sample and its rapid SERS inspection. As a consequence, a simple spot‐on analysis specifically adapted for reliable identification and characterization of molecules of biomedical interest is made possible. Our attempt may represent a concrete chance for progressing SERS toward widespread commercially viable sensing applications including diagnostics at the point‐of‐need settings and on‐site analyses.
Appreciations, criticisms, determinants, and effects of integrated reporting: A systematic literature review
Authors: Vitolla Filippo , Raimo Nicola , Rubino Michele 
Published: February 2019

AbstractThe diffusion of integrated reporting has encouraged academics to pay greater attention to this topic. Several studies have been conducted since the 2011 of the Discussion Paper “Towards Integrated Reporting: Communicating Value in the 21st Century” by the International Integrated Reporting Council. However, conflicting opinions and the wide range of extant studies underscore the need to better understand the current contributions in the field. Furthermore, the novelty of integrated reporting makes it necessary to define as yet unexplored fields in this research stream. To that end, we conduct a systematic review of the literature to classify the research according to normative and descriptive perspectives and identify an agenda that will be able to guide future studies. The review shows that the concept of value creation, internal and qualitative determinants, the content and quality of integrated reporting, and its impacts need further investigation.
On the self‐resonant frequency reduction of closed‐ and open‐bifilar coils
Authors: de Miranda Caio M. , Pichorim Sérgio F. 
Published: February 2019

SummaryIn this work we present the electrical characterization of closed‐ and open‐bifilar solenoid coils by comparing their self‐capacitance, self‐inductance, and self‐resonant frequency (SRF). The analysis is done by relating these parameters with those of a conventional solenoid coil with same dimensions and number of turns. It is shown that bifilar coils have a greater self‐capacitance and lower SRF when compared with the respective conventional coil and that this relation can be expressed only in terms of the number of turns of the coils. Therefore, these components have a potential use in applications that need to avoid the use of a real capacitor and need to operate in a smaller resonant frequency, such as in wireless power transfer systems, for example. In a similar way, the self‐inductances of closed‐ and open‐bifilar coils are also compared with those of conventional coils with the same dimensions. It is also shown that the SRF of closed‐ and open‐bifilar coils are approximately the same for practical values of the quality factor and that their impedance behaves as series and parallel RLC circuits. Practical experiments are conducted validating the developed theory.
Impact of prey occupancy and other ecological and anthropogenic factors on tiger distribution in Thailand's western forest complex
Authors: Duangchatrasiri Somphot , Jornburom Pornkamol , Jinamoy Sitthichai , Pattanvibool Anak , Hines James E. , Arnold Todd W. , Fieberg John , Smith James L. D. 
Published: February 2019

Abstract

Despite conservation efforts, large mammals such as tigers (Panthera tigris) and their main prey, gaur (Bos gaurus), banteng (Bos javanicus), and sambar (Rusa unicolor), are highly threatened and declining across their entire range. The only large viable source population of tigers in mainland Southeast Asia occurs in Thailand's Western Forest Complex (WEFCOM), an approximately 19,000 km2 landscape of 17 contiguous protected areas.

We used an occupancy modeling framework, which accounts for imperfect detection, to identify the factors that affect tiger distribution at the approximate scale of a female tiger's home range, 64 km2, and site use at a scale of 1‐km2. At the larger scale, we estimated the proportion of sites at WEFCOM that were occupied by tigers; at the finer scale, we identified the key variables that influence site‐use and developed a predictive distribution map. At both scales, we examined key anthropogenic and ecological factors that help explain tiger distribution and habitat use, including probabilities of gaur, banteng, and sambar occurrence from a companion study.

Occupancy estimated at the 64‐km2 scale was primarily influenced by the combined presence of all three large prey species, and 37% or 5,858 km2 of the landscape was predicted to be occupied by tigers. In contrast, site use estimated at the scale of 1 km2 was most strongly influenced by the presence of sambar.

By modeling occupancy while accounting for imperfect probability of detection, we established reliable benchmark data on the distribution of tigers in WEFCOM. This study also identified factors that limit tiger distributions; which managers can then target to expand tiger distribution and guide recovery elsewhere in Southeast Asia.