bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synchronization of Coupled Oscillators on a Two‐Dimensional Plane
Authors: Guo Dameng , Fu Yong Qing , Zheng Bo 
Published: April 2016

AbstractThe effect of the transfer rate of signal molecules on coupled chemical oscillators arranged on a two‐dimensional plane was systematically investigated in this paper. A microreactor equipped with a surface acoustic wave (SAW) mixer was applied to adjust the transfer rate of the signal molecules in the microreactor. The SAW mixer with adjustable input powers provided a simple means to generate different mixing rates in the microreactor. A robust synchronization of the oscillators was found at an input radio frequency power of 20 dBm, with which the chemical waves were initiated at a fixed site of the oscillator system. With increasing input power, the frequency of the chemical waves was increased, which agreed well with the prediction given by the time‐delayed phase oscillator model. Results from the finite element simulation agreed well with the experimental results.
pH‐Dependent Cancer‐Directed Photodynamic Therapy by a Water‐Soluble Graphitic‐Phase Carbon Nitride–Porphyrin Nanoprobe
Authors: Chan Chi‐Fai , Zhou Yan , Guo Hongyu , Zhang Junying , Jiang Lijun , Chen Wei , Shiu Kwok‐Keung , Wong Wai‐Kwok , Wong Ka‐Leung 
Published: April 2016

AbstractTheranostic photodynamic nanomaterials suffer from poor water solubility and nontargeted toxicity. A water‐soluble graphitic‐phase carbon nitride‐based material (g‐C3N4) conjugated to a positively charged porphyrin P2 (conjugating concentration: 60 μm mg−1 mL−1) is shown to be a new concept of photodynamic therapeutic agent (g‐C3N4–P2). The pH‐sensitive emission of g‐C3N4 is the driving force for the generation of 1O2 from g‐C3N4–P2. The amount of 1O2/light generated from a photosensitizer porphyrin can be controlled by the pH‐sensitive emission of g‐C3N4 at acidic pH (pH 4–6), especially under acidic conditions mimicking those of tumor tissue, and thus has the potential to be utilized as a cancer‐selective PDT agent.
A Thienyl‐Substituted Diketopyrrolopyrrole Derivative with Efficient Reactive Oxygen Species Generation for Photodynamic Therapy
Authors: Shi Huaxia , Sun Wucheng , Wang Qiang , Gu Guiying , Si Weili , Huang Wei , Zhang Qi , Dong Xiaochen 
Published: April 2016

AbstractReducing the energy gap of photosensitizer between singlet and triplet states (ΔEST) can improve the efficiency of intersystem crossing, further enhancing the resulting generation of reactive oxygen species for photodynamic therapy. In this study, two photosensitizer chromophores—phenyl‐substituted diketopyrrolopyrrole and thienyl‐substituted diketopyrrolopyrrole (TDPP)—were synthesized. Theoretical calculations indicate that TDPP can greatly reduce the ΔEST (0.48 eV) relative to that of diketopyrrolopyrrole (0.66 eV). Experiments confirmed that TDPP generates reactive oxygen species more efficiently than diketopyrrolopyrrole. After conjugation of TDPP with methoxy poly(ethylene glycol)carboxyl (mPEG‐COOH), the resulting TDPP‐mPEG has excellent water solubility, biocompatibility and photostability. When it serves as photosensitizer for photodynamic therapy, in vitro and in vivo measurements indicate that TDPP‐mPEG can effectively inhibit tumor growth and shows great potential for the treatment of cancer in the clinic.
First Synthesis of (R)‐ and (S)‐1,2,3,4‐Tetrahydroisoquinoline‐3‐phosphonic Acid (TicP) Using a Pictet–Spengler Reaction
Authors: Viveros‐Ceballos José Luis , Ordóñez Mario , Sayago Francisco J. , Jiménez Ana I. , Cativiela Carlos 
Published: April 2016

AbstractWe report here a practical and efficient synthesis of diethyl 1,2,3,4‐tetrahydroisoquinoline‐3‐phosphonate derivatives. The target compounds were prepared in good yield using a Pictet–Spengler reaction involving α‐amino phosphonates that were easily obtained. We have paid special attention to the synthesis of (R)‐ and (S)‐1,2,3,4‐tetrahydroisoquinoline‐3‐phosphonic acid (TicP) 2a, a conformationally constrained analogue of phosphophenylalanine PheP. The procedure is based on the preparation of racemic phosphophenylalanine (PheP) diethyl ester followed by chiral chromatographic separation and subsequent Pictet–Spengler chemistry.
Graphene‐Functionalized 3D‐Carbon Fiber Electrodes – Preparation and Electrochemical Characterization
Authors: Koushanpour Ashkan , Guz Nataliia , Gamella Maria , Katz Evgeny 
Published: April 2016

AbstractGraphene nanosheets were produced on the surface of carbon fibers by in situ electrochemical procedure including oxidative and reductive steps to yield first graphene oxide, later converted to graphene. The electrode material composed of graphene‐functionalized carbon fibers was characterized by scanning electron microscopy (SEM) and cyclic voltammery demonstrating superior electrochemical kinetics comparing with the original carbon paper. The interfacial electron transfer rate for the reversible redox process of [Fe(CN)6]3−/4− was found ca. 4.5‐fold higher after the electrode modification with the graphene nanosheets. The novel electrode material is suggested as a promising conducting interface for bioelectrocatalytic electrodes used in various electrochemical biosensors and biofuel cells, particularly operating in vivo.
Uncommon Carbon Nanostructures for the Preparation of Electrochemical Immunosensors
Authors: Yáñez‐Sedeño Paloma , González‐Cortés Araceli , Agüí Lourdes , Pingarrón José M. 
Published: April 2016

AbstractElectrochemical devices making use of carbon nanomaterials have demonstrated great applicability. Single‐ or multi‐walled nanotubes and graphene have been largely applied to the construction of electrochemical (bio)sensors improving two key aspects in this field: surface nanostructuration allowing the preparation of electrode platforms more conductive, selective and suitable for biomolecules immobilization, and the ability to design suitable strategies for signal amplification. Besides the above mentioned carbon nanomaterials, more recently new carbon nanoforms have appeared as suitable nanostructuration tools. Carbon nanohorns, double‐walled carbon nanotubes, fullerene (C60), carbon nanoparticles, and graphene quantum dots are examples of novel nanomaterials whose particular characteristics make them well suited for the construction of bioelectrochemical devices. In this article, the use of these carbon nanomaterials for the development of electrochemical immunosensors is reviewed.
The Substituent Effect on the Energy Profiles of Inter and Intramolecular Proton Transfers between Phosphine Oxide‐Phosphinous Acid Tautomers
Authors: Tavakol Hossein , Keshavarzipour Fariba 
Published: April 2016

AbstractThis report presents the energy details related to mechanistic pathways of tautomeric interconversion between phosphinous acids and phosphine oxides with different substituents using DFT, MP2 and CCSD (T) calculations. Four mechanisms consisting of simple, dimer, water‐assisted (with 1, 2, and 3 molecules of water), and methanol‐assisted have been considered. In the most cases and all pathways, the halogen‐containing phosphorus compounds preferred phosphinous acid tautomer and the other structures preferred phosphine oxide tautomers. In simple tautomerism, the high‐energy barriers showed the impossible pathway for this interconversion and halogen substituents had higher rate constants. In dimeric mechanism, the relative stability of phosphine oxide tautomer was increased and the tautomeric processes via this mechanism were found to have the higher rates versus the simple mechanism. In the solvent‐assisted mechanism, except one structure, the relative stability of phosphinous acids was increased in comparison with the simple or dimer cases. Moreover, activation energies showed the great enhancements in the rates of these interconversions in the direct presence of the solvent.
Discrete Choice Experiment Response Rates: A Meta‐analysis
Authors: Watson Verity , Becker Frauke , de Bekker‐Grob Esther 
Published: April 2016

AbstractThis paper uses meta‐regression analysis to test how aspects of discrete choice experiment (DCE) study design influence survey response rates. DCEs are a survey‐based method used to elicit preferences for health and health care and are prone to survey errors of coverage, sampling, non‐response and measurement. However, research on DCE response rates is lacking. Our analysis is motivated by a social exchange theory of survey response. We find that DCE response rates are related to the survey's cognitive burden and the relevance to the surveyed population. Copyright © 2016 John Wiley & Sons, Ltd.
Relationship between XspI Site Polymorphisms of LDL‐R Gene and Serum IL‐2 and IL‐10 in Patients with Hypercholesterolemia
Authors: Zhang Mingming , Lu Yamin , Liu Xin , Zhang Xiaobin , Zhang Cuigai , Gao Wei , Tie Yanqing 
Published: April 2016

BackgroundRelationship has been identified in sporadic reports between polymorphisms and hypercholesterolemia. However, the relationship between inflammatory cytokines and polymorphism of low‐density lipoprotein receptor (LDL‐R) gene in hypercholesterolemia is unclear. This study aimed to explore the relationship and significance between polymorphisms of LDL‐R gene and serum Interleukin‐2 (IL‐2), IL‐10 in patients with hypercholesterolemia.MethodsPCR‐RFLP and direct DNA sequencing assay were employed to determine polymorphism of LDL‐R gene in 900 patients with hypercholesterolemia and 400 healthy cases. ELISA was applied to assay serum concentration of IL‐2 and IL‐10. Blood lipid indexes were tested in all cases.ResultsCompared with the healthy controls, level of IL‐2 increased significantly, while IL‐10 decreased significantly (P < 0.05). Correlation analysis showed that IL‐2 was positively correlated with total cholesterol (TC), LDL‐c, and genotype (r = 0.542, 0.410, 0.598, P < 0.05) and negatively correlated with HDL‐c (r = −0.352, P < 0.05). Negative relationship also was found between TC, LDL‐c, genotype, and IL‐10 (r = −0.452, −0.390, −0.613, P < 0.05), and positive correlation between HDL‐c and IL‐10 (r = 0.398, P < 0.05). Multiple linear regression showed that genotypes and TC were independent factors affecting the levels of IL‐2 and IL‐10 (P < 0.05).ConclusionIL‐2 and IL‐10 were related to gene polymorphisms of LDL‐R, which might be involved in the development and progress of hypercholesterolemia.
Resting Metabolic Rate Is Positively Correlated with Parental Care Behavior in a Dwarf Hamster
Authors: Clavijo‐Baquet Sabrina , Cumplido Nicolás , Bozinovic Francisco 
Published: April 2016

ABSTRACTEndotherms maintain high and constant body temperatures through the production and maintenance of metabolic heat. Defining the evolutionary history of these thermal adaptations and the selective factors responsible for the evolution of endothermy despite its high metabolic costs have been elusive and controversial topics in evolutionary biology. In this sense, several models have been proposed to explain the evolution of endothermy. Among them, the parental care model explains the increase in resting metabolic rate (RMR) by the action of natural selection favoring parental care. Thus, a positive relationship between parental care behavior and RMR is predicted. However, there appears to be no or little previous work experimentally testing this relationship. In the study presented here, RMR was increased through l‐tyrosine injections and parental care behavior was measured. This treatment allowed us to test the relationship between RMR level and parental care behavior in a dwarf hamster. It was found that increased RMR enhanced male parental care. Specifically, male latency time, or the time until contacting and picking up their pups, decreased when RMR increased. This study demonstrates the positive relationship between RMR and the allocation of resources to parental care. This study supports the main assumption of Kotejas's parental care model and accepts Koteja's proposed explanation for the evolution of endothermy as a plausible hypothesis.
Interdecadal variability of early summer monsoon rainfall over South China in association with the Pacific Decadal Oscillation
Authors: Wu Xiaofei , Mao Jiangyu 
Published: April 2016

ABSTRACTThe interdecadal variability of early summer South China (SC) monsoon rainfall (SCMR) is investigated based on several long‐term rainfall data sets from 1926 to 2013. Both correlation and composite analyses suggest a significant out‐of‐phase relationship between interdecadal fluctuations of SCMR and the preceding wintertime Pacific Decadal Oscillation (PDO), with negative (positive) PDO epochs favouring above‐normal (below‐normal) SCMR. The physical mechanism relating the wintertime PDO to the interdecadal variability of SCMR appears to take place via atmospheric and oceanic teleconnections. The below‐normal SCMR is characterized by a meridionally arranged vortex (MAV) pattern across the East Asia–western North Pacific (WNP) sector, with an anomalous cyclone, an anomalous anticyclone and an anomalous cyclone occurring alternately over the South China Sea (SCS)–WNP, Yangtze Basin and Lake Baikal in the early summer. This may respond to the PDO‐related positive sea surface temperature (SST) anomalies locally over the SCS–WNP and remotely over the tropical eastern Pacific, with the latter forcing anomalous Hadley and Walker circulations. SC is located directly under the divergent moisture environment of anomalous northeasterlies between the anomalous cyclone over the SCS–WNP and the anticyclone over the Yangtze Basin. Again, the below‐normal SCMR is preceded by negative (positive) SST anomalies in the midlatitude North Pacific (tropical eastern Pacific) associated with positive PDO in wintertime. Such an anomalous SST pattern subsequently induces a strengthened and northward‐shifted upper‐tropospheric jet in early summer, leading to significant upper‐tropospheric convergence over SC. The out‐of‐phase relationship between SCMR and wintertime PDO as well as related physical processes are validated by coupled model simulations.
Halloysite‐based dopamine‐imprinted polymer for selective protein capture
Authors: Zhu Xiaohong , Li Hui , Liu Hui , Peng Wei , Zhong Shian , Wang Yan 
Published: April 2016

We describe a facile, general, and highly efficient approach to obtain polydopamine‐coated molecularly imprinted polymer based on halloysite nanotubes for bovine serum albumin. The method combined surface molecular imprinting and one‐step immobilized template technique. Hierarchically structured polymer was prepared in physiological conditions adopting dopamine as functional monomer. A thin layer of polydopamine can be coated on the surface of amino‐modified halloysite nanotubes by self‐polymerization, and the thickness of the imprinted shells can be controlled by the mass ratio of matrix and dopamine. The polymer was characterized by Fourier transform infrared spectrometry, transmission electron microscopy, and thermogravimetric analysis. The prepared material showed high binding capacity (45.4 mg/g) and specific recognition behavior toward the template protein. In addition, stability and regeneration analyses indicated that the imprinted polymer exhibited excellent reusability (relative standard deviation < 9% for batch‐to‐batch evaluation). Therefore, the developed polymer is effective for protein recognition and separation.
Developing a Country‐wide Tourist Loyalty Scheme: A Barren Landscape
Authors: Zopiatis Anastasios , Theocharous Antonis L. , Kosmas Petros C. , Webster Craig , Melanthiou Yioula 
Published: April 2016

AbstractLoyalty programs, popular in today's competitive business environment, have been capturing the attention of the tourism industry since the mid 80's. While many segments of the industry have successfully utilized loyalty programs, the development of a country‐wide loyalty scheme still poses major challenges. Reflecting the findings of an extensive mixed methods research, the paper set out to empirically investigate tourists' willingness to participate in a country‐wide loyalty scheme, define the incentives they expect from such a scheme, and, explore the perceptions of hospitality stakeholders towards this potential development. Findings are of interest to both academic scholars and industry stakeholders. Copyright © 2016 John Wiley & Sons, Ltd.
Kinetics of Chain Exchange between Diblock Copolymer Micelles
Authors: Prhashanna Ammu , Khan Saif A. , Chen Shing Bor 
Published: April 2016

Dissipative particle dynamics simulation is employed to study the chain exchange kinetics between micelles of diblock copolymer in aqueous solution via in silico hybridization method. One focus is placed on the effect of chain flexibility on the dynamic behavior by varying the spring constant in the bead‐spring model. The length ratio of hydrophilic to hydrophobic block is also varied. It is found that chain expulsion/insertion is the dominant mechanism in the chain exchange process. The most interesting finding is the multimodal relaxation behavior for the chain exchange and expulsion when the spring constant is small or the length ratio of hydrophilic to hydrophobic block is large. This phenomenon is due to an increase in size polydispersity of micelles with rising population of small aggregates/micelles, for which the exchange kinetics is faster. Micelles with larger aggregation numbers (>10) are found to follow single exponential relaxation kinetics.
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Biopolymeric nanocomposites for potential biomedical applications
Authors: Sionkowska Alina 
Published: April 2016

AbstractThis review reports recent advances in the field of biopolymeric composites and nanocomposites for potential biomedical applications. These materials have attracted both academic and, for several composites, industrial attention because they exhibit properties required in the biomedical field. Herein, the structure, preparation and properties of biopolymeric composite blends are discussed in general, and detailed examples are also drawn from the scientific literature and practical work. In this review the most common natural polymers collagen, chitosan and their composites and nanocomposites with inorganic particles are discussed. © 2016 Society of Chemical Industry
Almost‐spanning universality in random graphs
Authors: Conlon David , Ferber Asaf , Nenadov Rajko , Škorić Nemanja 
Published: April 2016

AbstractA graph G is said to be ‐universal if it contains every graph on at most n vertices with maximum degree at most Δ. It is known that for any and any natural number Δ there exists such that the random graph G(n, p) is asymptotically almost surely ‐universal for . Bypassing this natural boundary, we show that for the same conclusion holds when . © 2016 Wiley Periodicals, Inc. Random Struct. Alg., 50, 380–393, 2017
Wildlife speed cameras: measuring animal travel speed and day range using camera traps
Authors: Rowcliffe J. Marcus , Jansen Patrick A. , Kays Roland , Kranstauber Bart , Carbone Chris 
Published: April 2016

AbstractTravel speed (average speed of travel while active) and day range (average speed over the daily activity cycle) are behavioural metrics that influence processes including energy use, foraging success, disease transmission and human‐wildlife interactions, and which can therefore be applied to a range of questions in ecology and conservation. These metrics are usually derived from telemetry or direct observations. Here, we describe and validate an entirely new alternative approach, using camera traps recording passing animals to measure movement paths at very fine scale. Dividing the length of a passage by its duration gives a speed observation, and average travel speed is estimated by fitting size‐biased probability distributions to a sample of speed observations. Day range is then estimated as the product of travel speed and activity level (proportion of time spent active), which can also be estimated from camera‐trap data. We field tested the procedure with data from a survey of terrestrial mammals on Barro Colorado Island, Panama. Travel speeds and day ranges estimated for 12 species scaled positively with body mass, and were higher in faunivores than in herbivores, patterns that are consistent with those obtained using independent estimates derived from tracked individuals. Comparisons of our day range estimates with independent telemetry‐based estimates for three species also showed very similar values in absolute terms. We conclude that these methods are accurate and ready to use for estimating travel speed and day range in wildlife. Key advantages of the methods are that they are non‐invasive, and that measurements are made at very high resolution in time and space, yielding estimates that are comparable across species and studies. Combined with emerging techniques in computer vision, we anticipate that these methods will help to expand the range of species for which we can estimate movement rate in the wild.
Adaptive quantum mechanics/molecular mechanics methods
Authors: Zheng Min , Waller Mark P. 
Published: April 2016

Multiscale methods have enjoyed a well‐celebrated place in the computational chemists’ toolbox, while the next generation of so‐called adaptive quantum mechanics/molecular mechanics (QM/MM) methods were being developed on the fringe for the past 20 years. Adaptive QM/MM methods hold the promise of extending the range of applicability, currently at the expense of complexity and computational scaling. There are a number of challenges in the area; firstly, the ability to partition a system on the fly has led to the distance, number, density, and stress‐based approaches. Secondly, methods that smoothen the transition from a QM to an MM region using a single configuration include Hot‐Spot, ONIOM‐XS, and time‐adaptive. Alternatively, more computationally expensive methods that smoothen the transition region based on multiple configurations are the permuted and sorted adaptive permutation, difference‐based adaptive, and size‐consistent multipartitioning methods. There exist three alternative methods that avoid issues of smoothening altogether; they are the so‐called buffered force, ABRUPT, and the flexible inner restraint methods. In this advanced review, an overview on the available methods, a number of applications, and the remaining challenges are discussed. WIREs Comput Mol Sci 2016, 6:369–385. doi: 10.1002/wcms.1255This article is categorized under:

Structure and Mechanism > Computational Biochemistry and Biophysics
Electronic Structure Theory > Combined QM/MM Methods
Molecular and Statistical Mechanics > Molecular Dynamics and Monte-Carlo Methods
Yeast and mould dynamics in Caciofiore della Sibilla cheese coagulated with an aqueous extract of Carlina acanthifolia All.
Authors: Cardinali Federica , Taccari Manuela , Milanović Vesna , Osimani Andrea , Polverigiani Serena , Garofalo Cristiana , Foligni Roberta , Mozzon Massimo , Zitti Silvia , Raffaelli Nadia , Clementi Francesca , Aquilanti Lucia 
Published: April 2016

AbstractCaciofiore della Sibilla is a speciality ewes' milk cheese traditionally manufactured in a foothill area of the Marche region (Central Italy) with a crude extract of fresh young leaves of Carlina acanthifolia All. subsp. acanthifolia as a coagulating agent. The fungal dynamics and diversity of this speciality cheese were investigated throughout the manufacturing and 20‐day ripening process, using a combined PCR–DGGE approach. The fungal biota of a control ewes' milk cheese, manufactured with the same batch of milk coagulated with a commercial animal rennet, was also monitored by PCR–DGGE, in order to investigate the contribution of the peculiar vegetable coagulant to the fungal diversity and dynamics of the cheese. Based on the overall results collected, the raw milk and the dairy environment represented the main sources of fungal contamination, with a marginal or null contribution of thistle rennet to the fungal diversity and dynamics of Caciofiore della Sibilla cheese. Copyright © 2016 John Wiley & Sons, Ltd.