bluuebunny/crossref_metadata_2025 huggingface dataset:
A model β-sheet interaction and thermodynamic analysis of β-strand mimetics
Authors: Robinson Colin W. , Rye Carl S. , Chessum Nicola E. A. , Jones Keith
Published: June 2015

Two novel β-strand mimetics are synthesized and their binding to a model peptide is studied in detail by 1H NMR.
Sub-20 nm nontoxic aggregation-induced emission micellar fluorescent light-up probe for highly specific and sensitive mitochondrial imaging of hydrogen sulfide
Authors: Liu Lei , Wu Bo , Yu Ping , Zhuo Ren-Xi , Huang Shi-Wen
Published: June 2015

A salicylaldazine-based amphiphilic polymer (AIE-1) with aggregation-induced emission characteristics was utilized for the specific and sensitive detection of S2− in solution and mitochondrial imaging of H2S in HeLa cells.
A Ni(ii) dinuclear complex bridged by end-on azide-N and phenolate-O atoms: spectral interpretation, magnetism and biological study
Authors: Das Kuheli , Datta Amitabha , Nandi Soumendranath , Mane Sandeep B. , Mondal Sudipa , Massera Chiara , Sinha Chittaranjan , Hung Chen-Hsiung , Askun Tulin , Celikboyun Pinar , Cantürk Zerrin , Garribba Eugenio , Akitsu Takashiro
Published: June 2015

A new dinuclear complex, [Ni(L)(μ1,1-N3)Ni(L)(OH2)2]·ClO4(1), has been synthesized. It shows the presence of ferromagnetic interactions and is endowed with both anti-mycobacterial and anticancer properties.
On the loading mechanism of ssDNA into carbon nanotubes
Authors: Shen Jia-Wei , Tang Ting , Wei Xiao-Hong , Zheng Wei , Sun Tian-Yang , Zhang Zhisen , Liang Lijun , Wang Qi
Published: June 2015

The loading mechanism and dynamics of ssDNA oligomers into single-walled carbon nanotubes was investigated. The binding free energy is in the order A-zigzag SWNT (24,0) > T-zigzag SWNT (24,0) > A-armchair SWNT (14,14) > T-armchair SWNT (14,14).
Diopside modified porous polyglycolide scaffolds with improved properties
Authors: Feng Pei , Guo Xiaoning , Gao Chengde , Gao Dan , Xiao Tao , Shuai Xiong , Shuai Cijun , Peng Shuping
Published: June 2015

In this research, diopside was incorporated into PGA scaffolds for enhancing mechanical and biological properties. The porous scaffolds were fabricated via selective laser sintering.
Preparation and characterization of polyurethane-imide/kaolinite nanocomposite foams
Authors: Chen Xinggang , Sang Xiaoming , Zhang Qingxin
Published: June 2015

A novel PUI/kaolinite nanocomposite foam was prepared byin situpolymerization, and intercalated and exfoliated structures of the modified kaolinite were formed in the PUI foams.
Preparation of Ni(OH)2 nanosheets on Ni foam via a direct precipitation method for a highly sensitive non-enzymatic glucose sensor
Authors: Zhao Yudong , Gu Gaochen , You Shengquan , Ji Renhua , Suo Hui , Zhao Chun , Liu Fengmin
Published: June 2015

Ni(OH)2 nanosheets on Ni foam was prepared by the direct precipitation method. This electrode shows high sensitivity with 1130 μA mM−1 cm−2 at the glucose concentration range of 2 μM to 40 μM and 1097 μA mM−1 cm−2 at the range of 0.1 mM to 2.5 mM.
Synthesis, photoluminescence and Judd–Ofelt analysis of red LiGd5P2O13 : Eu3+ phosphors for white LEDs
Authors: Zhang Xinguo , Zhou Liya , Pang Qi , Gong Menglian
Published: June 2015

LiGd5P2O13 : Eu3+ red phosphors were prepared by solid-state reaction method. Phosphors could be efficiently excited by NUV/blue light and emit pure-red light. LiGd5P2O13 : Eu3+ shows good thermal stability with quantum yield of 46.5%.
Deep desulfurization of condensate gasoline by electrochemical oxidation and solvent extraction
Authors: Tang Xiao-dong , Hu Tao , Li Jing-jing , Wang Fang , Qing Da-yong
Published: June 2015

Inorganic salts were used as a supporting electrolyte to oxidize organic sulfides and achieve the purpose of deep desulfurization.
Hydrogen-bonded effects on supramolecular blue phase liquid crystal dimeric complexes
Authors: Wei Chong-Lun , Chen Te-Cheng , Raghunath Putikam , Lin Ming-Chang , Lin Hong-Cheu
Published: June 2015

The number/position of chiral centers and the molar ratios of H-donors/H-acceptors affect the blue phase ranges of asymmetric H-bonded complexes.
Synthesis of PtPb hollow nanoparticles and their application in an electrochemical immunosensor as signal tags for detection of dimethyl phthalate
Authors: Liu Yixin , Zhang Sen , Ren Xiang , Wang Yaoguang , Yan Liangguo , Wei Qin , Du Bin
Published: June 2015

Platinum–lead (PtPb) hollow nanoparticles were used as signal tags for the first time to fabricate an electrochemical immunosensor. This was the first example of an electrochemical immunosensor used to detect dimethyl phthalate (DMP).
Efficient degradation of sulfamethoxazole and the response of microbial communities in microbial fuel cells
Authors: Wang Lu , Wu Yicheng , Zheng Yue , Liu Lidan , Zhao Feng
Published: June 2015

Sulfamethoxazole (SMX) could be rapidly biodegraded in a microbial fuel cell reactor.
Discrimination between lectins with similar specificities by ratiometric profiling of binding to glycosylated surfaces; a chemical ‘tongue’ approach
Authors: Otten L. , Gibson M. I.
Published: June 2015

Glycan–lectin interactions drive infectious processes, but are characterized by relatively low specificity, especially for monosaccharides. Here we use multiplexed biosensing to discriminate between lectins (including cholera toxin).
Understanding integrated effects of humidity and interfacial transfer film formation on tribological behaviors of sintered polycrystalline diamond
Authors: Qin Wenbo , Yue Wen , Wang Chengbiao
Published: June 2015

This paper highlights an intimate relationship among RH levels, dangling bonds passivation, run-in periods, transfer films formation and tribological behaviors.
Organocatalytic synthesis of bio-based cyclic carbonates from CO2 and vegetable oils
Authors: Alves M. , Grignard B. , Gennen S. , Detrembleur C. , Jerome C. , Tassaing T.
Published: June 2015

Optimal conditions deduced from in situ FTIR kinetic studies provide quantitative conversion of epoxidized linseed oil into carbonated linseed oil using a bi-component organocatalyst.
Palladium salt and functional reduced graphene oxide complex: in situ preparation of a generally applicable catalyst for C–C coupling reactions
Authors: Wang Sheng , Hu Donghua , Hua Wenwen , Gu Jiangjiang , Zhang Qiuhong , Jia Xudong , Xi Kai
Published: June 2015

A simple scheme of Pd2+ fixed on FRGO as a highly efficient coupling catalyst.
Correction: Electronic pH switching of DNA triplex reactions
Authors: Minero Gabriel Antonio S. , Wagler Patrick F. , Oughli Alaa A. , McCaskill John S.
Published: June 2015

Correction for ‘Electronic pH switching of DNA triplex reactions’ by Gabriel Antonio S. Minero et al., RSC Adv., 2015, 5, 27313–27325.
Are polymers glassier upon confinement?
Authors: Spièce Jean , Martínez-Tong Daniel E. , Sferrazza Michele , Nogales Aurora , Napolitano Simone
Published: June 2015

Confinement strongly improves the glass forming ability of thin films of PLLA.
Fabrication of oleophobic paper with tunable hydrophilicity by treatment with non-fluorinated chemicals
Authors: Tang Zhenguan , Hess Dennis W. , Breedveld Victor
Published: June 2015

Oleophobic paper with tunable hydrophilicity is fabricated by varying the concentration of polar groups using non-fluorinated coating materials.
Recent progress in photocathodes for hydrogen evolution
Authors: Huang Qiang , Ye Zi , Xiao Xudong
Published: June 2015

Recent efforts to improve the performance of photocathodes for hydrogen evolution are reviewed.
Energy analysis for the distributed receiver‐based cooperative medium access control for wireless sensor networks
Authors: Gama Sithembiso , Walingo Tom , Takawira Fambirai
Published: June 2015

This paper presents the energy analysis of a new energy‐efficient distributed receiver‐based cooperative medium access control (MAC) scheme for wireless sensor networks. The cooperative MAC scheme developed herein incorporates cooperation, overhearing avoidance, receiver‐based relay node selection and a Markov‐based channel state estimation onto the standard IEEE 802.15.4 scheme. The solution is developed based on a receiver oriented approach when selecting cooperative relay nodes and using a store and forward scheme to relay the packets to the destination node. This works’ main focus is in combining the cooperative packet relaying with overhearing avoidance in order to reduce node energy consumption hence enhancing the network lifetime. As the performance criteria, the energy consumed per node is investigated against packet arrival rate and average signal‐to‐noise ratio. The percentage of energy consumed and packet throughput are also investigated as the proposed MAC scheme is compared against the standard IEEE 802.15.4 MAC over the estimated channel conditions. The results show that the proposed MAC scheme with cooperation and overhearing avoidance resulted in both improved performance and improved energy saving patterns.
Balance of optical, structural, and electrical properties of textured liquid phase crystallized Si solar cells
Authors: Preidel V. , Amkreutz D. , Haschke J. , Wollgarten M. , Rech B. , Becker C.
Published: June 2015

Liquid phase crystallized Si thin-film solar cells on nanoimprint textured glass substrates exhibiting two characteristic, but distinct different surface structures are presented. The impact of the substrate texture on light absorption, the structural Si material properties, and the resulting solar cell performance is analyzed. A pronounced periodic substrate texture with a vertical feature size of about 1 μm enables excellent light scattering and light trapping. However, it also gives rise to an enhanced Si crystal defect formation deteriorating the solar cell performance. In contrast, a random pattern with a low surface roughness of 45 nm allows for the growth of Si thin films being comparable to Si layers on planar reference substrates. Amorphous Si/crystalline Si heterojunction solar cells fabricated on the low-roughness texture exhibit a maximum open circuit voltage of 616 mV and internal quantum efficiency peak values exceeding 90%, resulting in an efficiency potential of 13.2%. This demonstrates that high quality crystalline Si thin films can be realized on nanoimprint patterned glass substrates by liquid phase crystallization inspiring the implementation of tailor-made nanophotonic light harvesting concepts into future liquid phase crystallized Si thin film solar cells on glass.
Externally controlled anisotropy in pattern-forming reaction-diffusion systems
Authors: Escala Dario M. , Guiu-Souto Jacobo , Muñuzuri Alberto P.
Published: June 2015

The effect of centrifugal forces is analyzed in a pattern-forming reaction-diffusion system. Numerical simulations conducted on the appropriate extension of the Oregonator model for the Belousov-Zhabotinsky reaction show a great variety of dynamical behaviors in such a system. In general, the system exhibits an anisotropy that results in new types of patterns or in a global displacement of the previous one. We consider the effect of both constant and periodically modulated centrifugal forces on the different types of patterns that the system may exhibit. A detailed analysis of the patterns and behaviors observed for the different parameter values considered is presented here.
High-resolution photoelectron spectra of the pyrimidine-type nucleobases
Authors: Fulfer K. D. , Hardy D. , Aguilar A. A. , Poliakoff E. D.
Published: June 2015

High-resolution photoelectron spectra of the gas phase pyrimidine-type nucleobases, thymine, uracil, and cytosine, were collected using synchrotron radiation over the photon energy range 17 ≤ hν ≤ 150 eV. These data provide the highest resolution photoelectron spectra of thymine, uracil, and cytosine published to date. By comparing integrated regions of the energy dependent photoelectron spectra of thymine, the ionization potentials of the first four ionic states of thymine were estimated to be 8.8, 9.8, 10.3, and 10.8 eV. The thymine data also show evidence for low energy shape resonances in three of the outermost valence electronic states. Comparing the uracil spectrum with the thymine spectrum, the four outermost valence electronic states of uracil likely begin at binding energies 9.3, 9.9, 10.5, and 11.0 eV. High-resolution spectra indicate only one tautomeric form of cytosine contributes significantly to the spectrum with the four outermost valence electronic states beginning at binding energies 8.9, 9.9, 10.4, and 10.85 eV.
Symmetric polynomials in information theory: Entropy and subentropy
Authors: Jozsa Richard , Mitchison Graeme
Published: June 2015

Entropy and other fundamental quantities of information theory are customarily expressed and manipulated as functions of probabilities. Here we study the entropy H and subentropy Q as functions of the elementary symmetric polynomials in the probabilities and reveal a series of remarkable properties. Derivatives of all orders are shown to satisfy a complete monotonicity property. H and Q themselves become multivariate Bernstein functions and we derive the density functions of their Levy-Khintchine representations. We also show that H and Q are Pick functions in each symmetric polynomial variable separately. Furthermore, we see that H and the intrinsically quantum informational quantity Q become surprisingly closely related in functional form, suggesting a special significance for the symmetric polynomials in quantum information theory. Using the symmetric polynomials, we also derive a series of further properties of H and Q.
Constraint minimizers of mass critical Hartree energy functionals: Existence and mass concentration
Authors: Deng Yinbin , Lu Lu , Shuai Wei
Published: June 2015

We consider L2-constraint minimizers of mass critical Hartree energy functionals in ℝN with N ≥ 3. We prove that minimizers exist if and only if the parameter a > 0 satisfies a<a∗=Q22, where Q is a positive radially symmetric ground state of Δu−u+∫RNu(y)2x−y2dyu=0 in ℝN. The blow-up behavior of minimizers as a approaches a∗ is also analyzed, for which all the mass concentrates at a global minimum point x0 of the external potential V(x).
Quantitative impedimetric monitoring of cell migration under the stimulation of cytokine or anti-cancer drug in a microfluidic chip
Authors: Liu Lu , Xiao Xia , Lei Kin Fong , Huang Chia-Hao
Published: June 2015

Cell migration is a cellular response and results in various biological processes such as cancer metastasis, that is, the primary cause of death for cancer patients. Quantitative investigation of the correlation between cell migration and extracellular stimulation is essential for developing effective therapeutic strategies for controlling invasive cancer cells. The conventional method to determine cell migration rate based on comparison of successive images may not be an objective approach. In this work, a microfluidic chip embedded with measurement electrodes has been developed to quantitatively monitor the cell migration activity based on the impedimetric measurement technique. A no-damage wound was constructed by microfluidic phenomenon and cell migration activity under the stimulation of cytokine and an anti-cancer drug, i.e., interleukin-6 and doxorubicin, were, respectively, investigated. Impedance measurement was concurrently performed during the cell migration process. The impedance change was directly correlated to the cell migration activity; therefore, the migration rate could be calculated. In addition, a good match was found between impedance measurement and conventional imaging analysis. But the impedimetric measurement technique provides an objective and quantitative measurement. Based on our technique, cell migration rates were calculated to be 8.5, 19.1, and 34.9 μm/h under the stimulation of cytokine at concentrations of 0 (control), 5, and 10 ng/ml. This technique has high potential to be developed into a powerful analytical platform for cancer research.
Liquid crystal on subwavelength metal gratings
Authors: Palto S. P. , Barnik M. I. , Artemov V. V. , Shtykov N. M. , Geivandov A. R. , Yudin S. G. , Gorkunov M. V.
Published: June 2015

Optical and electrooptical properties of a system consisting of subwavelength metal gratings and nematic liquid crystal layer are studied. Aluminium gratings that also act as interdigitated electrodes are produced by focused ion beam lithography. It is found that a liquid crystal layer strongly influences both the resonance and light polarization properties characteristic of the gratings. Enhanced transmittance is observed not only for the TM-polarized light in the near infrared spectral range but also for the TE-polarized light in the visible range. Although the electrodes are separated by nanosized slits, and the electric field is strongly localized near the surface, a pronounced electrooptical effect is registered. The effect is explained in terms of local reorientation of liquid crystal molecules at the grating surface and propagation of the orientational deformation from the surface into the bulk of the liquid crystal layer.
Multifractal analysis of time series generated by discrete Ito equations
Authors: Telesca Luciano , Czechowski Zbigniew , Lovallo Michele
Published: June 2015

In this study, we show that discrete Ito equations with short-tail Gaussian marginal distribution function generate multifractal time series. The multifractality is due to the nonlinear correlations, which are hidden in Markov processes and are generated by the interrelation between the drift and the multiplicative stochastic forces in the Ito equation. A link between the range of the generalized Hurst exponents and the mean of the squares of all averaged net forces is suggested.
Reproduction and survival of rodents in crop fields: the effects of rainfall, crop stage and stone-bund density
Authors: Meheretu Yonas , Welegerima Kiros , Sluydts Vincent , Bauer Hans , Gebrehiwot Kindeya , Deckers Jozef , Makundi Rhodes , Leirs Herwig
Published: June 2015

Context
Reproduction and survival are two of the most important demographic factors that play a major role in changing population abundances of pest species over time and space, solid understanding of which is a useful input to forecast future population changes for proactive management.

Aims
We investigated the effects of rainfall, crop-development stage and density of stone bunds on reproductive patterns, and the effects of stone-bund density and sex on survival probabilities of two widespread rodent species (Mastomys awashensis and Arvicanthis dembeensis) in Ethiopian highlands.

Methods
Rodent population dynamics were monitored from April 2007 to February 2011, using capture–mark–recapture (CMR) technique in four 60 × 60 m permanent square grids for four consecutive cropping seasons. Two of the grids represented fields with low stone-bund density (LSBD, ~15 m apart) and the other two represented fields with high stone-bund density (HSBD, ~10 m apart).

Key results
Reproduction was seasonal, commencing during the wet season following the rain and continuing through the early dry season. We found an increase in the abundance of reproductively active female individuals of both species towards the milky and fruiting crop stages and around harvest period. We found no strong difference in survival probability between the two rodent species with variation in stone-bund density and sex.

Conclusion
Stone bunds play a minor role in the reproduction and survival of the rodent species at the observed abundances.

Implications
In terms of pest management, the high local survival rates estimated for both rodent species matter more than survival differences owing to variations in stone-bund density and sex.
The ecological impacts of commensal species: black rats, Rattus rattus, at the urban–bushland interface
Authors: Banks Peter B. , Smith Helen M.
Published: June 2015

Exotic species have had devastating impacts worldwide and are a major threat to native wildlife. Human commensal species (hereafter commensals) are a special class of exotic species that live largely off the resources associated with human activity. The encroachment of commensals from an urban area into surrounding bushland has been frequently overlooked as an important component of urban impacts, even though human-commensals are common to many urban regions globally. In this review, we present theoretical and empirical evidence for the processes and outcomes occurring when exotic commensal species encroach into native bushland. Specifically we ask when, how and why exotic commensal species encroach into bushland, what determines whether they establish, and what are the ecological consequences. We focus on the black rat, Rattus rattus, arguably the archetypal commensal species with a cosmopolitan distribution and the greatest potential for ecological damage of all the commensal rodents. We expect that the processes that we outline apply to other commensal species more broadly. We argue that commensals are in fact natives of the urban milieu and only become alien when they encroach into peri-urban bushland. We propose that the mechanisms of this encroachment will be different from those of other, non-commensal exotic species because urban areas act as dispersal hubs to overcome many of the barriers of invasion that other exotic species face. We suggest that resource supplementation by urban areas creates a great potential for promoting encroachment, invasion as well as impact. However, biotic and abiotic barriers to invasion are still relevant for commensals, highlighting the need to maintain the integrity of ecosystems and wildlife populations in urban edges so as to prevent commensal incursion. We examine how commensal black rats affect wildlife via three fundamental mechanisms, namely, predation, disease transfer and competition for resources, and also consider their possible positive impacts acting as functional replacements for lost natives. We conclude the review with an outline of research priorities and future directions that are essential for progressing our understanding of the ecology of commensal species.
Political Economy of the 2014 Farm Bill
Authors: Orden David , Zulauf Carl
Published: June 2015

This article assesses the political economy of the 2014 U.S. farm bill, with a focus on the farm support safety net. The farm bill secured substantial bipartisan majorities in a politically contentious Congress. Planned outlays are predominately for nutrition assistance programs directed toward a traditional nonfarm constituency in the farm bill coalition, while annual fixed direct payments to farmers are eliminated but replaced with enhanced downside risk protection against low prices or revenue. The new support programs may prove more or less costly than the foregone fixed payments, with farmers offered a choice between a price countercyclical program with increased reference prices and a revised moving‐average revenue guarantee program. The role of insurance is enhanced, notably by replacing past support programs with a new upland cotton revenue insurance program and dairy milk‐to‐feed margin protection program. Open policy issues that are highlighted include the costs and distortionary effects of moving‐average revenue benchmarks versus fixed reference prices, the overall level of insurance premium subsidies, the potential for overlap between commodity and insurance programs, and lastly, food, environmental, and biofuels concerns that reflect the diverse portfolio of products demanded from agriculture. In an international context, we conclude that the 2014 farm safety net likely would not have been enacted had multilateral agreement been reached on the 2008 Doha Round World Trade Organization negotiating documents. Conversely, the 2014 farm bill makes achieving those limits more difficult. Research is discussed that can elucidate the ongoing political economy of U.S. farm policy and help shape future program design.
Guan-hua Xu: China's move toward being a country of innovation
Authors: Poo Mu-ming , Wang Ling
Published: June 2015

As the former Minister of China's Ministry of Science & Technology (MoST), Guan-hua Xu has witnessed, and personally contributed to, China's science and technology (S&T) development during the critical period of the country's transition into a great economic power. During his tenure at MoST and its predecessor (1995–2007), he promoted the reform of research institutions, initiated some of the Nation's most significant research and development (R&D) projects, and coordinated the formulation of China's National Outline for the Medium to Long Term Science and Technology Development Plan (2006–2020). As a distinguished scientist specializing in remote sensing, Xu has devoted much of his career over the past two decades to S&T policy and management. Since leaving the ministry, he has further explored fundamental issues surrounding China's S&T development, and recently collected his thoughts in a book entitled ‘Towards a Country of Innovation’ (Beijing: Science Press, 2014). In this recent interview with NSR, Xu summarized his view of the problems China faces in becoming an innovative country, and offered his recommendations for drastic reform of China's S&T system.
Cosmic evolution of bars in simulations of galaxy formation
Authors: Okamoto Takashi , Isoe Mari , Habe Asao
Published: June 2015

We investigate the evolution of two bars formed in fully self-consistent hydrodynamic simulations of the formation of Milky Way-mass galaxies. One galaxy shows higher central mass concentration and has a longer and stronger bar than the other at z = 0. The stronger bar evolves by transferring its angular momentum mainly to the dark halo. Consequently the rotation speed of the bar decreases with time, while the amplitude of the bar increases with time. These features qualitatively agree with the results obtained by idealized simulations. The pattern speed of the stronger bar largely goes up and down within a half revolution in its early evolutionary stage. These oscillations occur when the bar is misaligned with the m = 4 Fourier component. These oscillations correlate with the oscillations in the triaxiality of the dark matter halo, but differently from the way identified by idealized simulations. The amplitude of the weaker bar does not increase despite the fact that its rotation slows down with time. This result contradicts what is expected from idealized simulations and is caused by the decline of the central density associated with the mass loss and feedback from the stellar populations. The amplitude of the weaker bar is further weakened by the angular momentum injection from interactions with stellar clumps in the disk. In the both galaxies, the bars are terminated around the 4:1 resonance.
Spatial and Temporal Analysis of Populations of the Sudden Oak Death Pathogen in Oregon Forests
Authors: Kamvar Z. N. , Larsen M. M. , Kanaskie A. M. , Hansen E. M. , Grünwald N. J.
Published: June 2015

Sudden oak death caused by the oomycete Phytophthora ramorum was first discovered in California toward the end of the 20th century and subsequently emerged on tanoak forests in Oregon before its first detection in 2001 by aerial surveys. The Oregon Department of Forestry has since monitored the epidemic and sampled symptomatic tanoak trees from 2001 to the present. Populations sampled over this period were genotyped using microsatellites and studied to infer the population genetic history. To date, only the NA1 clonal lineage is established in this region, although three lineages exist on the North American west coast. The original introduction into the Joe Hall area eventually spread to several regions: mostly north but also east and southwest. A new introduction into Hunter Creek appears to correspond to a second introduction not clustering with the early introduction. Our data are best explained by both introductions originating from nursery populations in California or Oregon and resulting from two distinct introduction events. Continued vigilance and eradication of nursery populations of P. ramorum are important to avoid further emergence and potential introduction of other clonal lineages.
Structural studies of (prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine hetero-scorpionate copper complexes
Authors: Bussey Katherine A. , Cavalier Annie R. , Connell Jennifer R. , Mraz Margaret E. , Oshin Kayode D. , Pintauer Tomislav , Oliver Allen G.
Published: June 2015

The structures of five compounds consisting of (prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine complexed with copper in both the CuIand CuIIoxidation states are presented, namely chlorido{(prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine-κ3N,N′,N′′}copper(I) 0.18-hydrate, [CuCl(C15H17N3)]·0.18H2O, (1),catena-poly[[copper(I)-μ2-(prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine-κ5N,N′,N′′:C2,C3] perchlorate acetonitrile monosolvate], {[Cu(C15H17N3)]ClO4·CH3CN}n, (2), dichlorido{(prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine-κ3N,N′,N′′}copper(II) dichloromethane monosolvate, [CuCl2(C15H17N3)]·CH2Cl2, (3), chlorido{(prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine-κ3N,N′,N′′}copper(II) perchlorate, [CuCl(C15H17N3)]ClO4, (4), and di-μ-chlorido-bis({(prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine-κ3N,N′,N′′}copper(II)) bis(tetraphenylborate), [Cu2Cl2(C15H17N3)2][(C6H5)4B]2, (5). Systematic variation of the anion from a coordinating chloride to a noncoordinating perchlorate for two CuIcomplexes results in either a discrete molecular species, as in (1), or a one-dimensional chain structure, as in (2). In complex (1), there are two crystallographically independent molecules in the asymmetric unit. Complex (2) consists of the CuIatom coordinated by the amine and pyridyl N atoms of one ligand and by the vinyl moiety of another unit related by the crystallographic screw axis, yielding a one-dimensional chain parallel to the crystallographicbaxis. Three complexes with CuIIshow that varying the anion composition from two chlorides, to a chloride and a perchlorate to a chloride and a tetraphenylborate results in discrete molecular species, as in (3) and (4), or a bridged bis-μ-chlorido complex, as in (5). Complex (3) shows two strongly bound Cl atoms, while complex (4) has one strongly bound Cl atom and a weaker coordination by one perchlorate O atom. The large noncoordinating tetraphenylborate anion in complex (5) results in the core-bridged Cu2Cl2moiety.
Structures of CoIIand ZnIIcomplexes of the proton-transfer compound derived from pyrazine-2,3-dicarboxylic acid and piperazine
Authors: Ghadermazi Mohammad , Attar Gharamaleki Jafar , Olmstead Marilyn M. , Almasi Mehdi
Published: June 2015

The reaction of the proton-transfer compound piperazine-1,4-diium pyrazine-2,3-dicarboxylate 4.5-hydrate, C4H12N22+·C6H2N2O42−·4.5H2O or (pipzH2)(pyzdc)·4.5H2O (pyzdcH2is pyrazine-2,3-dicarboxylic acid and pipz is piperazine), (I), with Zn(NO3)2·6H2O and CoCl2·6H2O results in the formation of bis(piperazine-1,4-diium) bis(μ-pyrazine-2,3-dicarboxylato)-κ3N1,O2:O3;κ3O3:N1,O2-bis[aqua(pyrazine-2,3-dicarboxylato-κ2N1,O2)zinc(II)] decahydrate, (C4H12N2)2[Zn2(C6H2N2O4)4(H2O)2]·10H2O or (pipzH2)2[Zn(pyzdc)2(H2O)]2·10H2O, (II), andcatena-poly[piperazine-1,4-diium [cobalt(II)-bis(μ-pyrazine-2,3-dicarboxylato)-κ3N1,O2:O3;κ3O3:N1,O2] hexahydrate], {(C4H12N2)[Co(C6H2N2O4)2]·6H2O}nor {(pipzH2)[Co(pyzdc)2]·6H2O}n, (III), respectively. In (I), pyzdcH2is doubly deprotonated on reaction with piperazine as a base. Compound (II) crystallizes as a dimer, whereas compound (III) exists as a one-dimensional coordination polymer. In (II), two pyzdc2−groups chelate to each of the two ZnIIatoms through a ring N atom and an O atom of the 2-carboxylate group. In one ligand, the adjacent 3-carboxylate group bridges to a neighbouring metal atom. A water molecule ligates in the sixth coordination site. The structure of (II) can be described as a commensurate superlattice due to an ordering in the hydrogen-bonded network. In (III), no water is coordinated to the metal atom and the coordination sphere is comprised of twoN,O-chelates plus two bridging O atoms. A large number of hydrogen bonds are observed in all three compounds. These interactions, as well as π–π and C=O...π stacking interactions, play important structural roles.
A three-dimensional CdIIcoordination polymer constructed from 1,1′-biphenyl-2,2′,5,5′-tetracarboxylate and 1,4-bis(1H-imidazol-1-yl)benzene ligands
Authors: Su Feng , Lu Li-Ping
Published: June 2015

The title coordination polymer, poly[[aqua(μ5-1,1′-biphenyl-2,2′,5,5′-tetracarboxylato)bis[μ2-1,4-bis(1H-imidazol-1-yl)benzene]dicadmium(II)] dihydrate], {[Cd2(C16H6O8)(C12H10N4)2(H2O)]·2H2O}n, was crystallized from a mixture of 1,1′-biphenyl-2,2′,5,5′-tetracarboxylic acid (H4bpta), 1,4-bis(1H-imidazol-1-yl)benzene (1,4-bib) and cadmium nitrate in water–dimethylformamide. The crystal structure consists of two crystallographically independent CdIIcations, with one of the CdIIcations possessing a slightly distorted pentagonal bipyramidal geometry. The second CdIIcentre is coordinated by carboxylate O atoms and imidazole N atoms from two separate 1,4-bib ligands, displaying a distorted octahedral CdN2O4geometry. The completely deprotonated bpta4−ligand, exhibiting a new coordination mode, bridges five CdIIcations to form one-dimensional chainsviaμ3-η1:η2:η1:η2and μ2-η1:η1:η0:η0modes, and these are further linked by 1,4-bib ligands to form a three-dimensional framework with a (42.64)(4.62)(43.65.72) topology. The structure of the coordination polymer is reinforced by intermolecular hydrogen bonding between carboxylate O atoms, aqua ligands and crystallization water molecules. The solid-state photoluminescence properties were investigated and the complex might be a candidate for a thermally stable and solvent-resistant blue fluorescent material.
Crystal structure of 2-{[2-methoxy-5-(trifluoromethyl)phenyl]iminomethyl}-4-nitrophenol
Authors: Karadayı Nevzat , Şahin Songül , Köysal Yavuz , Coşkun Emine , Büyükgüngör Orhan
Published: June 2015

In the title compound, C15H11F3N2O4, the N=C bond of the central imine group adopts anEconformation. The dihedral angle between two benzene rings is 6.2 (2)°. There is an intramolecular bifurcated O—H...(N,O) hydrogen bond withS(6) andS(9) ring motifs. In the crystal, molecules are linked by C—H...O hydrogen bonds into a helical chain along the 31screw axis parallel toc. The –CF3group shows rotational disorder over two sites, with occupancies of 0.39 (2) and 0.61 (2).
Crystal structure of high-spin tetraaquabis(2-chloropyrazine-κN4)iron(II) bis(4-methylbenzenesulfonate)
Authors: Golub Bohdan O. , Shylin Sergii I. , Dechert Sebastian , Malysheva Maria L. , Gural`skiy Il`ya A.
Published: June 2015

The title salt, [FeII(C4H3ClN2)2(H2O)4](C7H7O3S)2, contains a complex cation with point group symmetry 2/m. The high-spin FeIIcation is hexacoordinated by four symmetry-related water and twoN-bound 2-chloropyrazine molecules in atransarrangement, forming a distorted FeN2O4octahedron. The three-dimensional supramolecular structure is supported by intermolecular O—H...O hydrogen bonds between the complex cations and tosylate anions, and additional π–π interactions between benzene and pyrazine rings. The methyl H atoms of the tosylate anion are equally disordered over two positions.
Crystal structure of 2-amino-4,6-dimethoxypyrimidinium thiophene-2-carboxylate
Authors: Rajam Ammaiyappan , Muthiah P.T. , Butcher Ray J. , Jasinski Jerry P.
Published: June 2015

In the title salt, C6H10N3O2+·C5H3O2S−, the 2-amino-4,6-dimethoxypyrimidinium cation interacts with the carboxylate group of the thiophene-2-carboxylate anion through a pair of N—H...O hydrogen bonds, forming anR22(8) ring motif. These motifs are centrosymmetrically pairedviaN—H...O hydrogen bonds, forming a complementaryDDAAarray. The separateDDAAarrays are linked by π–π stacking interactions between the pyrimidine rings, as well as by a number of weak C—H...O and N—H...O interactions. In the anion, the dihedral angle between the ring plane and the CO2group is 11.60 (3)°. In the cation, the C atoms of methoxy groups deviate from the ring plane by 0.433 (10) Å.
Crystal structure ofcis-anti-cis-dicyclohexane-18-crown-6 acetonitrile disolvate
Authors: Nazarenko Alexander
Published: June 2015

The title compound (systematic name:cis-anti-cis-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane acetonitrile disolvate), C20H36O6·2CH3CN, crystallizes from an acetonitrile solution of dicyclohexane-18-crown-6 on evaporation. The molecule is arranged around a center of symmetry with half the crown ether molecule and one molecule of acetonitrile symmetry independent. All O—C—C—O torsion angles aregauchewhile all C—O—C—C angles aretrans. The sequence of torsion angles is [(tg+t)(tg−t)]3; the geometry of oxygen atoms is close to pseudo-D3dwith three atoms below and three atoms above the mean plane, with an average deviation of ±0.16 (1) Å from the mean plane. This geometry is identical to that observed in metal ion complexes of dicyclohexane-18-crown-6 but differs significantly from the conformation of a free unsolvated molecule. Each acetonitrile molecule connects to a crown ether moleculeviatwo of its methyl group H atoms (C—H...O). Weaker interactions exist between the third H atom of the acetonitrile methyl group and an O atom of a neighbouring crown ether molecule (C—H...O); and between the N atom of the acetonitrile molecule and a H atom of another neighbouring crown ether molecule. All these intermolecular interactions create a three-dimensional network stabilizing the disolvate.
Crystal structure of 4-methylbenzylN′-[(thiophen-2-yl)methylidene]hydrazinecarbodithioate
Authors: Ramli Syahirah binti , Ravoof Thahira Begum S. A. , Tahir Mohamed Ibrahim Mohamed , Tiekink Edward R. T.
Published: June 2015

In the title compound, C15H16N2S3{systematic name: [({[(4-methylphenyl)methyl]sulfanyl}methanethioyl)amino][1-(thiophen-2-yl)ethylidene]amine}, the central CN2S2residue is almost planar (r.m.s. deviation = 0.0061 Å) and forms dihedral angles of 7.39 (10) and 64.91 (5)° with the thienyl andp-tolyl rings, respectively; the dihedral angle between these rings is 57.52 (6)°. The non-thione S atoms aresyn, and with respect to the thione S atom, the benzyl group isanti. In the crystal, centrosymmetrically related molecules self-associateviaeight-membered {...HNCS}2synthons. The dimeric aggregates stack along theaaxis and are are consolidated into a three-dimensional architectureviamethyl-C—H...π(benzene) and benzene-C—H...π(thienyl) interactions.
Crystal structure oftrans-(1,8-dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ4N3,N6,N10,N13)bis(thiocyanato-κN)nickel(II) from synchrotron data
Authors: Kim Dae-Woong , Kim Jong Jin , Shin Jong Won , Kim Jin Hong , Moon Dohyun
Published: June 2015

The crystal structure of the title compound, [Ni(NCS)2(C16H38N6)], has been determined from synchrotron data. The asymmetric unit consists of two halves of the complex molecules which have their NiIIatoms located on inversion centres. The NiIIions show a tetragonally distorted octahedral coordination geometry, with four secondary amine N atoms of the azamacrocyclic ligand in the equatorial plane and two N atoms of the thiocyanate anions in the axial positions. The average equatorial Ni—N bond length [2.070 (5) Å] is shorter than the average axial Ni—N bond length [2.107 (18) Å]. Only half of the macrocyclic ligand N—H groups are involved in hydrogen bonding. The complex molecules are connectedviaintermolecular N—H...S hydrogen bonds into two symmetry-independent one-dimensional polymeric structures extending along theb-axis direction. One of then-butyl substituents of the macrocycle exhibits conformational disorder with a refined occupancy ratio of 0.630:0.370.
Crystal structure of 1,2-dibenzoylacenaphthylene
Authors: Greenberg Fred H. , Nazarenko Alexander Y.
Published: June 2015

The title molecule, C26H16O2, crystallizes as a molecular crystal with no strong intermolecular interactions (the shortest C—H...O contact is longer than 3.4 Å). Two flat acenaphthylene groups of neigboring 1,2-dibenzoylacenaphthylene molecules are related by a crystallographic center of symmetry and are stacked with the distance between their mean planes of 3.37 (1) Å, apparently making an optimal close packing for these bulky aromatic moieties. Both carbonyl groups are oriented towards the same side of the planar acenaphthylene. The angles between the flat acenaphthylene group and the benzoyl groups are 62.6 (1) and 57.8 (1)°. Because rotation of the benzoyl groups is sterically hindered, we expect that the molecules will remain locked in this `pseudo-cis' orientation in solution. As a result, reduction of 1,2-dibenzoylacenaphthylene at low temperature with sodium dithionite yields thecis-isomer of 1,2-dibenzoyl-1,2-dihydroacenaphthylene, which is sterically favorable. This isomer is thermodynamically less favorable than thetransisomer, but it converts to the more stable isomer only on long-term heating (Greenberg & Schenendorf (1980).
Crystal structure of (E)-5,5-dimethyl-2-[3-(4-nitrophenyl)allylidene]cyclohexane-1,3-dione
Authors: Lee Jae Kyun , Min Sun-Joon , Cho Yong Seo , Kwon Jang Hyuk , Park Junghwan
Published: June 2015

In the title compound, C17H17NO4, the cylohexane-1,3-dione ring adopts an envelope conformation with the dimethyl-subsituted C atom as the flap. Its mean plane is inclined to the benzene ring by 7.99 (19)°. The molecule has atransconformation about the bridging C=C bonds of the allyidene chain. In the crystal, molecules are linkedviapairs of C—H...O hydrogen bonds, forming inversion dimers. The dimers are linked by further C—H.·O hydrogen bonds, forming sheets lying parallel to (10-1).
Greek public libraries in economic crisis: the past, the present and the future
Authors: Vassilakaki Evgenia
Published: June 2015

Purpose

– The aim of this paper is to discuss the challenges that the current economic crisis has posed for Greek public and municipal libraries.

Design/methodology/approach

– This is a viewpoint paper discussing the past, present and future directions that Greek public and municipal libraries have adopted or should adopt in the context of the present economic crisis.

Findings

– Greek public and municipal libraries ought to see the economic crisis as a challenge for development, improvement and the promotion of their presence and role in the community which they serve.

Originality/value

– The paper discusses the factors affecting the past and present situation relating to public and municipal libraries in Greece and addresses the future challenges for promoting development and innovation.
Evaluation of linear and revolute underactuated grippers for steel foundry operations
Authors: Carpenter Ryan , Hatton Ross , Balasubramanian Ravi
Published: June 2015

Purpose

– The purpose of this paper is to develop an automated industrial robotic system for handling steel castings of various sizes and shapes in a foundry.

Design/methodology/approach

– The authors first designed a prismatic gripper for pick-and-place operations that incorporates underactuated passive hydraulic contact (PHC) phalanges that enable the gripper to easily adapt to different casting shapes. The authors then optimized the gripper parameters and compared it to an adaptive revolute gripper using two methods: a planar physics based quasistatic simulation that accounts for object dynamics and validation using physical prototypes on a physical robot.

Findings

– Through simulation, the authors found that an optimized PHC gripper improves grasp performance by 12 per cent when compared to an human-chosen PHC configuration and 60 per cent when compared to the BarrettHand™. Physical testing validated this finding with an improvement of 11 per cent and 280 per cent, respectively.

Originality/value

– This paper presents for the first time optimized prismatic grippers which passively adapt to an object shape in grasping tasks.
A new variable stiffness robot joint
Authors: Tao Yong , Wang Tianmiao , Wang Yunqing , Guo Long , Xiong Hegen , Xu Dong
Published: June 2015

Purpose

– This study aims to propose a new variable stiffness robot joint (VSR-joint) for operating safely. More and more variable stiffness actuators are being designed and implemented because of their ability to minimize large forces due to shocks, to safely interact with the user and their ability to store and release energy in passive elastic elements.

Design/methodology/approach

– The design of VSR-joint is compact and integrated highly and the operating is simply. The mechanics, the principle of operation and the model of the VSR-joint are proposed. The principle of operation of VSR-joint is based on a lever arm mechanism with a continuously regulated pivot point. The VSR-joint features a highly dynamic stiffness adjustment along with a mechanically programmable system behavior. This allows an easy adaption to a big variety of tasks.

Findings

– Preliminary results are presented to demonstrate the fast stiffness regulation response and the wide range of stiffness achieved by the proposed VSR-joint design.

Originality/value

– In this paper, a new variable stiffness joint is proposed through changing the cantilever arm to change the performance of the elastic element, which is compact, small size and simple adjustment.
Using lean principles to drive operational improvements in intermodal container facilities
Authors: Olesen Peter , Powell Daryl , Hvolby Hans-Henrik , Fraser Kym
Published: June 2015

Purpose

– The purpose of this paper is to explore the use of lean principles to drive operational improvements in intermodal container facilities. Intermodal terminals have an important role in today’s globally complex supply networks. In the case of bottleneck-derived terminalization, operational issues such as achieving effective material flow remains a significant and common challenge. To assist with such challenges, the paper develops a conceptual framework built on the principles of lean.

Design/methodology/approach

– In this paper, a theory-building approach is adopted and a lean terminalization framework developed by combining aspects of lean- and intermodal transport theory with practical insights. The framework was developed in conjunction with two intermodal container facilities within the Scandinavian region.

Findings

– The conceptual framework demonstrates how lean approaches can be used to identify improvement areas, as well as to develop solutions for improved material flow in the context of intermodal transport operations. The framework can be used to guide the lean implementation process in small to medium intermodal container facilities.

Research limitations/implications

– The development of the framework represents the first stage of a two-stage project. The second stage will involve implementing and empirically testing the framework in the practical settings of the two-case facilities.

Practical implications

– Lean is a philosophical approach that consists of a set of principles that drive organizations to continually add value to their operations. The application of lean practices enhances necessary process steps and eliminates those that fail to add value, thereby improving material flow and performance.

Social implications

– Improving the operational efficiency and effectiveness of container terminals out not only assists the profitability of the facilities but also has flow-on benefits for stakeholders, external customers, consumers and the environment.

Originality/value

– Lean has been successfully applied in manufacturing because the 1990s, and though it has also found relevance in a number of other industries, applications of lean within the intermodal transport sector is limited.