bluuebunny/crossref_metadata_2025_split huggingface dataset:
Quantum mechanical electronic structure calculation reveals orientation dependence of hydrogen bond energy in proteins
Authors: Mondal Abhisek , Datta Saumen 
Published: February 2017

ABSTRACTHydrogen bond plays a unique role in governing macromolecular interactions with exquisite specificity. These interactions govern the fundamental biological processes like protein folding, enzymatic catalysis, molecular recognition. Despite extensive research work, till date there is no proper report available about the hydrogen bond's energy surface with respect to its geometric parameters, directly derived from proteins. Herein, we have deciphered the potential energy landscape of hydrogen bond directly from the macromolecular coordinates obtained from Protein Data Bank using quantum mechanical electronic structure calculations. The findings unravel the hydrogen bonding energies of proteins in parametric space. These data can be used to understand the energies of such directional interactions involved in biological molecules. Quantitative characterization has also been performed using Shannon entropic calculations for atoms participating in hydrogen bond. Collectively, our results constitute an improved way of understanding hydrogen bond energies in case of proteins and complement the knowledge‐based potential. Proteins 2017; 85:1046–1055. © 2017 Wiley Periodicals, Inc.
Causality, transfer entropy, and allosteric communication landscapes in proteins with harmonic interactions
Authors: Hacisuleyman Aysima , Erman Burak 
Published: February 2017

ABSTRACTA fast and approximate method of generating allosteric communication landscapes in proteins is presented by using Schreiber's entropy transfer concept in combination with the Gaussian Network Model of proteins. Predictions of the model and the allosteric communication landscapes generated show that information transfer in proteins does not necessarily take place along a single path, but an ensemble of pathways is possible. The model emphasizes that knowledge of entropy only is not sufficient for determining allosteric communication and additional information based on time delayed correlations should be introduced, which leads to the presence of causality in proteins. The model provides a simple tool for mapping entropy sink‐source relations into pairs of residues. By this approach, residues that should be manipulated to control protein activity may be determined. This should be of great importance for allosteric drug design and for understanding the effects of mutations on function. The model is applied to determine allosteric communication in three proteins, Ubiquitin, Pyruvate Kinase, and the PDZ domain. Predictions are in agreement with molecular dynamics simulations and experimental evidence. Proteins 2017; 85:1056–1064. © 2017 Wiley Periodicals, Inc.
In situ Growth of Phase‐Controlled Nickel Sulfide Nanostructures on Reduced Graphene Oxide Nanosheets : A Improved Cost‐effective Catalyst for 4‐Nitrophenol Reduction
Authors: Karthikeyan Rajan , Thangaraju Dheivasigamani , Prakash Natarajan , Arivanandhan Mukannan , Hayakawa Yasuhiro 
Published: February 2017

AbstractReduced graphene oxide (rGO)‐functionalized nickel sulfide nanoparticles were synthesized using a temperature‐controlled injection method. Syntheses were carried out in single (oleylamine) and mixed (oleylamine, oleic acid, and octadecene) solvents. Phase‐controlled NiS, NiS2, or Ni3S4 nanocrystals were decorated on rGO sheets through the single‐step temperature‐controlled injection processes. Problems with the synthesis of rGO/nickel sulfide yielding mixed phases were overcome by adjusting the solvent mixture and source concentrations. X‐ray diffraction and transmission electron microscopy were used to study the crystal structures and phases of nickel sulfide on the rGO sheets. The catalytic performances of rGO/nickel sulfide structures containing different nickel sulfide phases were analyzed by measuring the degradation rate of 4‐nitrophenol. Catalytic activity of as synthesized rGO/NiS, rGO/NiS2 and rGO/Ni3S4 were higher activity than pure NiS, among them rGO/NiS was showed better activity than those of rGO/NiS2 and rGO/Ni3S4.
PdCu Nanoparticles Stabilized on Porous CeO2 for Catalytic Degradation of Azo Dyes: Structural Characterization and Kinetic Studies
Authors: Saikia Himadri , Duarah Rajib , Sudarsanam Putla , Bhargava Suresh K. , Bharali Pankaj 
Published: February 2017

AbstractIn this work, a series of porous CeO2 stabilized PdCu nanoparticles are synthesized by a modified hydrothermal method and applied for catalytic reductive degradation of azo dyes. For the synthesis of CeO2 support a simple precipitation method is adopted using ammonium oxalate as precipitant. Synthesized support and nanoparticles are characterized by XRD, TGA, BET surface area, SEM/EDX, TEM, Raman, UV‐visible DRS, FTIR and XPS analyses. Catalytic studies show that the synthesized nanoparticles can efficiently reduce model azo dyes, methyl orange (MO) and congo red (CR) with good recyclability. Among various PdCu compositions, Pd1Cu9/CeO2 exhibits superior catalytic activity towards reductive degradation of MO and CR at room temperature. Thus, PdCu/CeO2 nanoparticles can be accepted as potential component for the application in wastewater treatment.
The Synergy of Graphene Oxide and Polydopamine Assisted Immobilization of Lysozyme to Improve Antibacterial Properties
Authors: Hao Xiangping , Chen Shougang , Zhu Hongzheng , Wang Longqiang , Zhang Yue , Yin Yansheng 
Published: February 2017

AbstractAntibacterial coatings are rapidly developing in recent years and applying to medical treatment, water reservoir and other fields. Here we report an easy, feasible and biocompatible method that combines the adhesive property of polydopamine (PDA), loaded platforms effect, antibacterial property of graphene oxide (GO) with the antimicrobial enzyme lysozyme of chicken egg(cLY), endowing substrate like glass slides with antimicrobial actions. The PDA/rGO‐cLY film is determined by Fourier transforms infrared spectroscopy (FT‐IR), Raman; the micromorphology of the PDA/rGO film is observed by scanning electron microscopy (SEM). The loading quantity of cLY onto PDA/rGO film is confirmed by fluorescence microscope and Quartz crystal microbalance (QCM). More significantly, the PDA/rGO‐cLY film indicated extraordinary antibacterial property for Escherichia coli (E.coli), and maintained a high bacteriostatic percentage after a period of time. This platform should be applicable also to other bactericide and the modified surface could be used in many fields.
Interconnected Porous Carbon: Unique Versatile Matrix for the Growth of Nanostructured Polyaniline and Its Enhanced Performance towards Electrochemical Energy Storage
Authors: Arulmani Subramanian , Michelraj Singarayan , Suresh Chinnathambi , Sivakumar Chinnaiah 
Published: February 2017

AbstractHerein we report the nanostructured polyaniline (PANI) growth on interconnected porous carbon (ICPC) by in‐situ electro‐polymerization route. Structural and morphological investigation confirms the formation of ICPC and growth of PANI over the surface of carbon. Electrochemical performance of PANI/ICPC was assessed by Cyclic Voltammetry (CV) and charge‐discharge cycle profile. The large surface area (750 m2 g−1) with interconnected pore structure of ICPC plays an imperative role for the penetration of aniline and leads to the formation of nanostructured PANI on its matrix. The achieved results revealed that anchoring of PANI on ICPC enhances the specific capacitance (861 Fg−1) than the individuals. Composite conquers a good cycling stability owing to the synergistic effect of PANI and ICPC be a sign of potential candidate for the fabrication of high‐performance electrode materials for energy storage applications.
Application of vector form intrinsic finite element on integrated simulation of wind turbine
Authors: Chen Junling , Yang Rongchang , Zhao Yong 
Published: February 2017

SummaryLarge wind turbine system is a periodic time‐varying system with many rigid‐flexible coupling bodies. It is difficult to deal with the singular stiffness matrix produced by the rotation of blades via the traditional finite element method. However, the vector form intrinsic finite element (VFIFE) method can effectively solve the geometric deformation of elastic continuum, the nonlinear or discrete constitutive model, the coupling motion continuum, and rigid body. In this study, a solver program of space beam element is developed by VFIFE method, and three typical examples are chosen to verify its accuracy. And then the integrated simulation of wind turbine system is established, and its dynamic response is analyzed. The natural frequencies of the turbine system, which are obtained by modal parameter identification, can agree well with the results obtained by traditional finite element method. The weighted amplitude wave superposition method and the proper orthogonal decomposition method as well as B‐spline surface interpolation are employed to obtain the wind time series of wind turbine under the normal operation condition. The wind‐induced dynamic response of wind turbine system is calculated by VFIFE method. The numerical results can reflect the periodic influence of gravity on the internal forces of blades and the interaction between blades and the tower.
Black Issues in the Therapeutic Process
Authors: McKenzie-Mavinga Isha 
Published: February 2017

The impact of slavery and colonialism still reverberates in black and ethnic minority communities, but counsellors are often given little training on how to respond effectively to the profound effects on their clients. Inspired by the author's own research, this book explores creatively how the therapeutic relationship with people of African or Caribbean heritage can better take account of such deep-seated intercultural issues.
Offering real-life stories, examples and poetry extracts, the author reflects on students' and practitioners' understanding of their own connections with black issues and draws on layers of experience to give practical advice. Filled with thoughtful and supportive guidance, the book:
- provides direct techniques to assist empathic therapeutic work with the hurt of racism
- explores questions that have been asked by practising and trainee therapists
- develops readers' understanding of key issues in a global and historical context
- encourages practitioners to broaden their experience of working with black issues.
This unique and engaging book offers invaluable insight for all students, counsellors and health care professionals who are seeking better understanding in their work with people of black African/Caribbean origin.
Regret in Surgical Decision Making: A Systematic Review of Patient and Physician Perspectives
Authors: Wilson Ana , Ronnekleiv‐Kelly Sean M. , Pawlik Timothy M. 
Published: February 2017

AbstractObjectiveRegret is a powerful motivating factor in medical decision making among patients and surgeons. Regret can be particularly important for surgical decisions, which often carry significant risk and may have uncertain outcomes. We performed a systematic review of the literature focused on patient and physician regret in the surgical setting.MethodsA search of the English literature between 1986 and 2016 that examined patient and physician self‐reported decisional regret was carried out using the MEDLINE/PubMed and Web of Science databases. Clinical studies performed in patients and physicians participating in elective surgical treatment were included.ResultsOf 889 studies identified, 73 patient studies and 6 physician studies met inclusion criteria. Among the 73 patient studies, 57.5% examined patients with a cancer diagnosis, with breast (26.0%) and prostate (28.8%) cancers being most common. Interestingly, self‐reported patient regret was relatively uncommon with an average prevalence across studies of 14.4%. Factors most often associated with regret included type of surgery, disease‐specific quality of life, and shared decision making. Only 6 studies were identified that focused on physician regret; 2 pertained to surgical decision making. These studies primarily measured regret of omission and commission using hypothetical case scenarios and used the results to develop decision curve analysis tools.ConclusionSelf‐reported decisional regret was present in about 1 in 7 surgical patients. Factors associated with regret were both patient‐ and procedure related. While most studies focused on patient regret, little data exist on how physician regret affects shared decision making.
Phase and Rheological Properties of a Curcumin‐Encapsulated Cubic Liquid Crystal
Authors: Wang Zhongni , Fu Lei , Liu Xin , Zhang Li , Guo Fumin , Zhao Xin 
Published: February 2017

AbstractFor the purpose of encapsulating curcumin, cubic liquid crystals were constructed using a Brij 97‐NaDC (surfactant)/IPM‐PEG 400 (oil)/H2O system, at a constant Brij 97/NaDC ratio of 4:1 and varied IPM/PEG 400 ratios of 9:1, 8:2, 7:3, 6:4, 5:5, 4:6, and 3:7. The cubic liquid crystal samples, possessing a fixed surfactant/oil/water composition and different IPM/PEG 400 ratios, underwent a structure transition from Im3m to the coexistence of Im3m and Ia3d as determined by small‐angle X‐ray scattering (SAXS) measurements. SAXS and rheological investigations on the 5:5 IPM/PEG 400 ratio cubic samples suggested that the cubic liquid crystals became more stable after encapsulating curcumin in either IPM or PEG 400, as indicated by the longer characteristic relaxation time. By saturating curcumin in both IPM and PEG 400, at an IPM/PEG 400 ratio less than 5:5, higher elastic modulus, larger q value, and stronger intensity of the first scattering peak for the curcumin‐encapsulated liquid crystals were observed as compared to the corresponding curcumin‐free samples. Also, clearly different melting points for these systems were found. These results indicate a method of tailoring the stability and the temperature sensitivity of the investigated curcumin‐encapsulated cubic liquid crystals.
Digestion of Ceramide 2‐Aminoethylphosphonate, a Sphingolipid from the Jumbo Flying Squid Dosidicus gigas, in Mice
Authors: Tomonaga Nami , Manabe Yuki , Sugawara Tatsuya 
Published: February 2017

AbstractCeramide 2‐aminoethylphosphonate (CAEP), a sphingophosphonolipid containing a carbon–phosphorus bond, is frequently found in marine organisms and has a unique triene type of sphingoid base in its structure. CAEP has not been evaluated as a food ingredient, although it is generally contained in Mollusca organisms such as squids and shellfish, which are consumed worldwide. In this study, we aimed to elucidate the effects of CAEP as a food component by evaluating the digestion of CAEP extracted from the skin of the jumbo flying squid Dosidicus gigas. Our results revealed that dietary CAEP was digested to free sphingoid bases via ceramides by the mouse small intestinal mucosa. At pH 7.2, CAEP was hydrolyzed more rapidly than the major mammalian sphingolipid sphingomyelin; however, the hydrolysis of CAEP was similar to that of sphingomyelin at pH 9.0. Thus, the digestion of CAEP may be catalyzed by alkaline spingomyelinase and other enzymes. Our findings provide important insights into the digestion of the dietary sphingophosphonolipid CAEP in marine foods.
Effect of feeding Actigen™ to sows during gestation and lactation and on piglet performance
Authors: Taylor-Pickard J. , McArdle T. , Icely S. 
Published: February 2017

SummaryActigen™ is a second generation, unique bioactive fraction derived from the outer cell wall of a specific strain of yeast,Saccharomyces cerevisiae, where it acts in the gut to bind pathogenic bacteria, preventing disease and competition for nutrients. In the current trial, 260 sows were used and fed either an unsupplemented control diet or one containing Actigen™ at 0.08% of the formulation during gestation, farrowing and lactation, to assess its impact on sow and piglet performance. Results showed significant increases in feed intake for sows fed Actigen™ pre-farrowing, but this was reversed during lactation, leading to a 7 kg saving in feed intake per animal. At birth, piglets weighed 42 g more in litters from Actigen™-fed sows compared to the control group. Weaning weight of the total litter from Actigen™ sows was significantly higher (P< 0.05) by 3.3 kg, although individual piglet weights were the same. Sows showed no significant loss in body weight during the trial, indicating that the improved piglet production was related to improved nutrient availability and perhaps Ig status of piglets due to the addition of Actigen™ in the diet.
CADRE ROTATION AND CAMPAIGN MOBILIZATION IN CHINA'S ANTICORRUPTION ENFORCEMENT
Authors: Zeng Qingjie 
Published: February 2017

AbstractIn authoritarian regimes, anticorruption measures are fundamentally mechanisms of controlling agents at various levels. To do this, the principal can either rely on routine bureaucratic management or resort toad hoc, intense mobilization to discipline its agents. Using China as a case study, this article explores which mode of top-down control exerts greater influence on the pattern of anticorruption enforcement. We focus on the cadre rotation system as an example of routine management techniques and examine its effects on provincial level enforcement. We also investigate how provinces respond to the central government's periodic call to intensify anticorruption efforts. Based on provincial enforcement data from 1998 to 2013, our analysis finds that the proportion of rotated officials has little impact on enforcement outcomes. Rather, the vigor of enforcement in the provinces responds strongly to national policy priorities, suggesting a highly centralized disciplinary system. Moreover, provinces of greater political importance are under more central pressure to conform. The findings challenge the often-made argument that stable institutions are effective in fostering top-down control in authoritarian regimes, and suggest that campaign mobilization continues to be an essential instrument at the dictator's disposal.
Coastal plain stratigraphy records tectonic, environmental, and human habitability changes related to sea-level drawdown, ‘Upolu, Sāmoa
Authors: Kane Haunani H. , Fletcher Charles H. , Cochrane Ethan E. , Mitrovica Jerry X. , Habel Shellie , Barbee Matthew 
Published: February 2017

AbstractCoastal plain stratigraphy is often over looked in paleo–sea-level reconstructions because carbonate sediments do not precisely constrain former sea level. Pacific Island sedimentology provides an invaluable record of geomorphic and environmental consequences of coastal evolution in response to changes in sea level and local tectonics. A series of coastal auger cores obtained from eastern ʻUpolu reveal a subsurface carbonate sand envelope predominately composed of coral and coralline algae derived from the reef framework. Coupling the sedimentological record with geophysical models of Holocene sea level, we identify a critical value (0.3–1.0 m) during the falling phase of the sea-level high stand (1899–2103 cal yr BP) that represents the transition from a transgressive to a regressive environment and initiates coastal progradation. Correlating the critical value with time, we observe nearly a millennium of coastal plain development is required before a small human population is established. Our findings support previous studies arguing that Sāmoa was colonized by small and isolated groups, as post–mid-Holocene drawdown in regional sea level produced coastal settings that were morphologically attractive for human settlement. As future sea level approaches mid-Holocene high stand values, lessons learned from Pacific Island sedimentological records may be useful in guiding future decisions related to coastal processes and habitat suitability.
ASYMPTOTIC TRIANGULATIONS AND COXETER TRANSFORMATIONS OF THE ANNULUS
Authors: VOGEL HANNAH , FELIKSON ANNA , TUMARKIN PAVEL 
Published: February 2017

AbstractAsymptotic triangulations can be viewed as limits of triangulations under the action of the mapping class group. In the case of the annulus, such triangulations have been introduced in K. Baur and G. Dupont (Compactifying exchange graphs: Annuli and tubes, Ann. Comb.3(18) (2014), 797–839). We construct an alternative method of obtaining these asymptotic triangulations using Coxeter transformations. This provides us with an algebraic and combinatorial framework for studying these limits via the associated quivers.
BRITISH SOLDIERS AND THE LEGEND OF NAPOLEON
Authors: DALY GAVIN 
Published: February 2017

ABSTRACTInvestigating the letters, diaries, and memoirs of British officers and enlisted men from the Napoleonic Wars, this article explores the hitherto neglected subject of British soldiers’ perceptions of Napoleon. Soldiers often formed mixed and ambivalent views on Napoleon. At one level, this corresponds with a range of attitudes within Britain, highlighting the important connections between soldiers and domestic culture. Yet these views also reveal what soldiers as a distinct cohort prioritized about Napoleon, and how these perceptions evolved over time. They also reveal tensions and divisions within the army itself, and shed light on British soldiers and patriotism. And finally, they add to our understanding of soldiers’ writing practices, especially their cultural context and the differences between wartime writing and memoirs. A diverse and shifting set of cultural frameworks and lived experiences shaped soldiers’ writings on Napoleon – from the Black Legend and Napoleonic Legend, to the Enlightenment and Romanticism; and from Spain and its battlefields to Restoration Paris and post-Waterloo Britain. Tracing the evolution of British soldiers’ perceptions of Napoleon from the outbreak of the Peninsular War in 1808 to the mid-nineteenth century reveals a growing admiration of Napoleon and the increasing hold of the Napoleonic Legend.
ASSERTIONS OF ENTITLEMENT TO THE OUTER CONTINENTAL SHELF IN THE CENTRAL ARCTIC OCEAN
Authors: Kunoy Bjørn 
Published: February 2017

AbstractThe legal and technical issues relating to the outer continental shelf entitlements in the Central Arctic Ocean present several challenges, most of which are to be resolved in accordance with Article 76 of the United Nations Convention on the Law of the Sea. Recently, two coastal States in the Central Arctic Ocean have made fully fledged submissions relating to the Arctic to the Commission on the Limits of the Continental Shelf. Russia has made a revised submission that is currently being considered by the Commission on the Limits of the Continental Shelf. The submission of Denmark/Greenland will most likely only be considered in 10 or 15 years time.