bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tandem Ring‐Opening Metathesis – Vinyl Insertion Polymerization: Fundamentals and Application to Functional Polyolefins
Authors: Buchmeiser Michael R. 
Published: February 2017

The accomplishments in the copolymerization of ethylene with cyclic olefins such as norborn‐2‐ene or cis‐cyclooctene via tandem ring‐opening metathesis polymerization (ROMP) – vinyl insertion polymerization (VIP) are outlined. This approach provides polyolefins with high molecular weight (600,000 < Mn < 4,500,000 g mol−1) and substantial amounts of double bonds along the polymer main chain. Olefinic moieties in ROMP‐derived polymers can be converted into hydroxyl, amino, silyl, ester, or carboxylate groups by different means including controlled radical polymerization‐based grafting. The underlying concept for the switch in polymerization mechanism, the resulting pre‐catalyst requirements, limitations and challenges and the chemistry developed for functionalizing unsaturated polymers are outlined in detail.
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Deep‐Blue Fluorescent Particles via Microwave Heating of Polyacrylonitrile Dispersions
Authors: Go Dennis , Jurásková Alena , Hoffmann Andreas , Kapiti Gent , Kuehne Alexander J. C. 
Published: February 2017

This study presents a new method to produce fluorescent particles. Established methods are based on the incorporation of conjugated dye molecules into dielectric polymer matrices or preparation of colloids, which are composed of fluorescent conjugated polymer. By contrast, this study presents a method where dielectric polyacrylonitrile is exposed to microwave radiation leading to an intramolecular cyclization reaction producing π‐conjugated segments, which fluoresce blue. During this conversion, the particles shrink in diameter but as an ensemble they retain their monodispersity. This work investigates the optimal reaction conditions and characterizes the optical properties.
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A semi‐analytical scheme for highly oscillatory integrals over tetrahedra
Authors: Hospital‐Bravo R. , Sarrate J. , Díez P. 
Published: February 2017

SummaryThis paper details a semi‐analytical procedure to efficiently integrate the product of a smooth function and a complex exponential over tetrahedral elements. These highly oscillatory integrals appear at the core of different numerical techniques. Here, the partition of unity method enriched with plane waves is used as motivation. The high computational cost or the lack of accuracy in computing these integrals is a bottleneck for their application to engineering problems of industrial interest. In this integration rule, the non‐oscillatory function is expanded into a set of Lagrange polynomials. In addition, Lagrange polynomials are expressed as a linear combination of the appropriate set of monomials, whose product with the complex exponentials is analytically integrated, leading to 16 specific cases that are developed in detail. Finally, we present several numerical examples to assess the accuracy and the computational efficiency of the proposed method, compared with standard Gauss–Legendre quadratures. Copyright © 2016 John Wiley & Sons, Ltd.
Synthesis, Characterization, and Antimicrobial Activity of Near‐IR Photoactive Functionalized Gold Multibranched Nanoparticles
Authors: Kalachyova Yevgeniya , Olshtrem Anasiya , Guselnikova Olga A. , Postnikov Pavel S. , Elashnikov Roman , Ulbrich Pavel , Rimpelova Silvie , Švorčík Václav , Lyutakov Oleksiy 
Published: February 2017

AbstractSurface‐modified gold multibranched nanoparticles (AuMs) were prepared by simple chemical reduction of gold chloride aqueous solution followed by in situ modification by using water‐soluble arenediazonium tosylates with different functional organic groups. Chemical and morphological structures of the prepared nanoparticles were examined by using transmission electron and scanning electron microscopies. The covalent grafting of organic compounds was confirmed by scanning electron microscopy with energy dispersive X‐ray spectroscopy (SEM‐EDX) and Raman spectroscopy techniques. Covalent functionalization of nanoparticles significantly expands the range of their potential uses under physiological conditions, compared with traditional non‐covalent or thiol‐based approaches. The antibacterial effect of the surface‐modified AuMs was evaluated by using Escherichia coli and Staphylococcus epidermidis bacteria under IR light illumination and without external triggering. Strong plasmon resonance on the AuMs cups leads to significant reduction of the light power needed kill bacteria under the mild conditions of continuous illumination. The effect of the surface‐modified AuMs on the light‐induced antibacterial activities was founded to be dependent on the grafted organic functional groups.
Phase separation kinetics in unentangled polymer solutions under high‐rate extension
Authors: Semenov Alexander N. , Subbotin Andrey V. 
Published: February 2017

ABSTRACTPhase separation processes following high‐rate extension in unentangled polymer solutions are studied theoretically. The flow‐induced demixing is associated with the coil–stretch transition predicted in high‐molecular‐weight polymer solutions at high‐enough Weissenberg numbers. The developed mean‐field theory is valid in the dilute/semidilute solution regime, where the stretched coils overlap strongly. We elucidate and discuss the main kinetic stages of the polymer/solvent separation process including (i) growth of concentration fluctuations and formation of oriented protofibrils by anisotropic spinodal decomposition; (ii) development of well‐defined highly oriented and stiff fibrils forming an anisotropic network (cross‐linked fiber); (iii) microphase separation and lateral collapse of the network yielding dense oriented fiber. These novel predictions are in qualitative agreement with the experimental data. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2017, 55, 623–637
Modeling posttraumatic growth among cancer patients: The roles of social support, appraisals, and adaptive coping
Authors: Cao Weidan , Qi Xiaona , Cai Deborah A. , Han Xuanye 
Published: February 2017

AbstractObjectiveThe purpose of the study was to build a model to explain the relationships between social support, uncontrollability appraisal, adaptive coping, and posttraumatic growth (PTG) among cancer patients in China.MethodsThe participants who were cancer patients in a cancer hospital in China filled out a survey. The final sample size was 201. Structural equation modeling was used to build a model explaining PTG.ResultsStructural equation modeling results indicated that higher levels of social support predicted higher levels of adaptive coping, higher levels of uncontrollability appraisal predicted lower levels of adaptive coping, and higher levels of adaptive coping predicted higher levels of PTG. Moreover, adaptive coping was a mediator between social support and growth, as well as a mediator between uncontrollability and growth. The direct effects of social support and uncontrollability on PTG were insignificant.ConclusionsThe model demonstrated the relationships between social support, uncontrollability appraisal, adaptive coping, and PTG. It could be concluded that uncontrollability appraisal was a required but not sufficient condition for PTG. Neither social support nor uncontrollability appraisal had direct influence on PTG. However, social support and uncontrollability might indirectly influence PTG, through adaptive coping. It implies that both internal factors (eg, cognitive appraisal and coping) and external factors (eg, social support) are required in order for growth to happen.
Complete topology inversion can be part of normal membrane protein biogenesis
Authors: Woodall Nicholas B. , Hadley Sarah , Yin Ying , Bowie James U. 
Published: February 2017

AbstractThe topology of helical membrane proteins is generally defined during insertion of the transmembrane helices, yet it is now clear that it is possible for topology to change under unusual circumstances. It remains unclear, however, if topology reorientation is part of normal biogenesis. For dual topology dimer proteins such as the multidrug transporter EmrE, there may be evolutionary pressure to allow topology flipping so that the populations of both orientations can be equalized. We previously demonstrated that when EmrE is forced to insert in a distorted topology, topology flipping of the first transmembrane helix can occur during translation. Here, we show that topological malleability also extends to the C‐terminal helix and that even complete topology inversion of the entire EmrE protein can occur after the full protein is translated and inserted. Thus, topology rearrangements are possible during normal biogenesis. Wholesale topology flipping is remarkable given the physical constraints of the membrane and expands the range of possible membrane protein folding pathways, both productive and detrimental.
A novel signal transduction protein: Combination of solute binding and tandem PAS‐like sensor domains in one polypeptide chain
Authors: Wu R. , Wilton R. , Cuff M. E. , Endres M. , Babnigg G. , Edirisinghe J. N. , Henry C. S. , Joachimiak A. , Schiffer M. , Pokkuluri P. R. 
Published: February 2017

AbstractWe report the structural and biochemical characterization of a novel periplasmic ligand‐binding protein, Dret_0059, from Desulfohalobium retbaense DSM 5692, an organism isolated from Lake Retba, in Senegal. The structure of the protein consists of a unique combination of a periplasmic solute binding protein (SBP) domain at the N‐terminal and a tandem PAS‐like sensor domain at the C‐terminal region. SBP domains are found ubiquitously, and their best known function is in solute transport across membranes. PAS‐like sensor domains are commonly found in signal transduction proteins. These domains are widely observed as parts of many protein architectures and complexes but have not been observed previously within the same polypeptide chain. In the structure of Dret_0059, a ketoleucine moiety is bound to the SBP, whereas a cytosine molecule is bound in the distal PAS‐like domain of the tandem PAS‐like domain. Differential scanning flourimetry support the binding of ligands observed in the crystal structure. There is significant interaction between the SBP and tandem PAS‐like domains, and it is possible that the binding of one ligand could have an effect on the binding of the other. We uncovered three other proteins with this structural architecture in the non‐redundant sequence data base, and predict that they too bind the same substrates. The genomic context of this protein did not offer any clues for its function. We did not find any biological process in which the two observed ligands are coupled. The protein Dret_0059 could be involved in either signal transduction or solute transport.
Experimental conformational energy maps of proteins and peptides
Authors: Balaji Govardhan A. , Nagendra H. G. , Balaji Vitukudi N. , Rao Shashidhar N. 
Published: February 2017

ABSTRACTWe have presented an extensive analysis of the peptide backbone dihedral angles in the PDB structures and computed experimental Ramachandran plots for their distributions seen under a various constraints on X‐ray resolution, representativeness at different sequence identity percentages, and hydrogen bonding distances. These experimental distributions have been converted into isoenergy contour plots using the approach employed previously by F. M. Pohl. This has led to the identification of energetically favored minima in the Ramachandran (ϕ, ψ) plots in which global minima are predominantly observed either in the right‐handed α‐helical or the polyproline II regions. Further, we have identified low energy pathways for transitions between various minima in the (ϕ,ψ) plots. We have compared and presented the experimental plots with published theoretical plots obtained from both molecular mechanics and quantum mechanical approaches. In addition, we have developed and employed a root mean square deviation (RMSD) metric for isoenergy contours in various ranges, as a measure (in kcal.mol−1) to compare any two plots and determine the extent of correlation and similarity between their isoenergy contours. In general, we observe a greater degree of compatibility with experimental plots for energy maps obtained from molecular mechanics methods compared to most quantum mechanical methods. The experimental energy plots we have investigated could be helpful in refining protein structures obtained from X‐ray, NMR, and electron microscopy and in refining force field parameters to enable simulations of peptide and protein structures that have higher degree of consistency with experiments. Proteins 2017; 85:979–1001. © 2017 Wiley Periodicals, Inc.
Review of Frameworks for Sustainability Implementation
Authors: Chofreh Abdoulmohammad Gholamzadeh , Goni Feybi Ariani 
Published: February 2017

AbstractSustainability enables the creation of new opportunity through innovation to achieve competitive advantage and drive cost reduction programs. Organizations that acknowledge and embrace the key drivers for sustainability will obtain the ultimate benefits of market opportunities and efficient business operations. Numerous organizations are involved in sustainability initiatives and they need a holistic vision to achieve sustainability. This requires a comprehensive framework that shows the perspective of sustainability. This study aims to review the existing sustainability frameworks and highlight the gaps and inconsistencies in the related literature. The literature revealed that there are two important paradigms that need to be considered in sustainability implementation frameworks. They are the sustainability paradigm (environment, social, and economic) and the decisional paradigm (strategic, tactical, and operational). The sustainability and decisional paradigms show the main perspective of sustainability implementation. The integration of these two paradigms is significant for a successful sustainability implementation project. Copyright © 2017 John Wiley & Sons, Ltd and ERP Environment
The social networking investigation of metadata of forensic artifacts of a typical WeChat session under Windows
Authors: Chu Hai‐Cheng , Wang Gai‐Ge , Deng Der‐Jiunn 
Published: February 2017

AbstractDigital forensics‐related investigations have been a relative competitive research area by the computer specialists or law enforcement agency officers to confirm or refuse the assumptions with respect to the cybercrime scenes. WeChat is one of the most popular instant messaging application programs in contemporary age. While applying WeChat, there is precious information deposited in the computing devices that could be supportive evidences in a court of law. Hence, this research is focusing on the application of WeChat on the desktop PC under Windows 7 by means of the acquisition of volatile digital evidences in order to provide supporting information for some cybercrime cases. This paper provides generic investigation methods conducting forensic sound analysis on WeChat from the aspect of data volatility of the computing devices. By means of the proposed methodologies, the digital forensics specialists should be able to gather critical digital traces to confirm the previous actions of a WeChat user or even to reconstruct the crime scene to prove the suspect is guilty or innocent in a court of law. Copyright © 2017 John Wiley & Sons, Ltd.
Power analysis attacks against FPGA implementation of KLEIN
Authors: Tang Shaohua , Li Weijian , Wu Jianhao , Gong Zheng , Tang Ming 
Published: February 2017

AbstractKLEIN is a family of block ciphers whose lightweight features are suitable for resource‐constrained devices. However, the original design of KLEIN does not consider the potential attacks by power analysis methods. This paper presents power analysis attacks against an field‐programmable gate array (FPGA) implementation of KLEIN by the authors of KLEIN. The attacking strategy, attacking point, and complexity of our attacks via power analysis against KLEIN are discussed in detail. Besides, the implementation of the attacks is also described, and the experimental data is given. A lot of attacking experiments are launched by this paper; the best method in our experiment is Correlation Power Analysis (CPA) attack that requires only 4000 random plaintexts and 115 s to reveal the 64‐bit key of KLEIN, with the storage complexity nearly 212 and the success probability of attack nearly 100%. Finally, a defensive countermeasure against our attacks is proposed. Copyright © 2017 John Wiley & Sons, Ltd.
Three‐dimensional morphological analysis of a Parahaentzschelinia‐like trace fossil
Authors: Reynolds Robyn , McIlroy Duncan 
Published: February 2017

AbstractSerial grinding and three‐dimensional reconstruction of aff. Parahaentzschelinia trace fossils from the Ordovician Winterhouse Formation reveals complex tiered network systems associated with more typical Parahaentzschelinia‐like conical bundles of sub‐vertical tubes. The morphological complexity of the burrow system is interpreted as an indication of the diverse behaviour of the trace‐making organism. This organism is inferred to have exploited organic matter within the sand‐rich event beds as well as in muddier beds above and below the sandstone beds using a variety of behaviours. Potential burrow irrigation and microbial cultivation associated with gardening behaviour is also inferred. The trace‐making organism is unknown, but comparisons are drawn between the structures observed herein and those produced by both modern polychaetes and bivalves.
Organocatalytic Hydrophosphonylation Reaction of Carbonyl Groups
Authors: Herrera Raquel P. 
Published: February 2017

AbstractThis revision is covering the limited examples reported for a pivotal strategy in the formation of C−P bonds such as the asymmetric organocatalytic hydrophosphonylation of carbonyl groups (Pudovik reaction). The scope and limitations, and the proposed mechanisms for the scarce different possibilities of asymmetric induction are also shown. The recent evolution and future trends of this undeveloped approach are commented.
Usefulness of mineralocorticoid receptor antagonists, rather than angiotensin II receptor blockers, for the prevention and treatment of licorice‐induced pseudoaldosteronism
Authors: Yokoyama Tasuku , Otsuka Noboru , Asahara Yoshinori , Nogaki Fumiaki , Ono Takahiko 
Published: February 2017

ABSTRACT
AimThe influence of angiotensin II receptor blockers (ARB) on licorice‐induced pseudoaldosteronism remains unclear and the antihypertensive drug selection of prescribers, when they encounter hypokalemia and hypertension in licorice‐treated patients, has not been surveyed.MethodsWe examined the occurrence of hypokalemia, concomitant drugs, and treatment for hypokalemia and hypertension in 42, 26 and 27 patients prescribed the licorice‐containing traditional Japanese kampo medicines shakuyakukanzoto (SKT; containing 6 g licorice/day), rikkunshito (RKT; 1 g licorice/day), and goshajinkigan (GJG; without licorice), respectively.ResultsSeven (16.7%;
P
< 0.05) of 42 patients treated with SKT more than 4 weeks developed hypokalemia. This rate was significantly higher than that in the GJG group as a negative control. Only one (3.8%) of 26 patients treated with RKT developed hypokalemia. None of the five patients who received simultaneous SKT and mineralocorticoid receptor (MR) antagonists developed hypokalemia. In contrast, four (57.1%) of seven patients who developed hypokalemia were treated with simultaneous SKT and ARB.Conclusion
MR antagonists may be useful for both the prevention and treatment of pseudoaldosteronism, while ARB may not be.
Physiological adaptation of endothelial function to pregnancy: systematic review and meta‐analysis
Authors: Lopes van Balen V. A. , van Gansewinkel T. A. G. , de Haas S. , van Kuijk S. M. J. , van Drongelen J. , Ghossein‐Doha C. , Spaanderman M. E. A. 
Published: February 2017

ABSTRACTObjectivesTo establish reference values for flow‐mediated dilatation (FMD) and brachial artery diameter (BAD) in pregnancy and to provide insight into the physiological and pathological course of endothelial adaptation throughout human singleton pregnancy.MethodsA meta‐analysis was performed following a systematic review of current literature on FMD, as a derivative for endothelial function, and BAD, throughout uncomplicated and complicated pregnancy. PubMed (NCBI) and EMBASE (Ovid) electronic databases were used for the literature search, which was performed from inception to 9 June 2016. To allow judgment of changes in comparison with the non‐pregnant state, studies were required to report both non‐pregnant mean reference of FMD (matched control group, prepregnancy or postpartum measurement) and mean FMD at a predetermined and reported gestational age. Pooled mean differences between the reference and pregnant FMD values were calculated for predefined intervals of gestational age.ResultsFourteen studies that enrolled 1231 participants met the inclusion criteria. Publication dates ranged from 1999 to 2014. In uncomplicated pregnancy, FMD was increased in the second and third trimesters. Between 15 and 21 weeks of gestation, absolute FMD increased the most, by a mean (95% CI) of 1.89% (0.25–3.53%). This was a relative increase of 22.5% (3.0–42.0%) compared with the non‐pregnant reference. BAD increased progressively, in a steady manner, by the second trimester but not significantly in the first half of the second trimester. We could not discern differences in FMD and BAD between complicated and uncomplicated pregnancies at 29–35 weeks' gestation, reported in the three studies that met our inclusion criteria. Despite the increase in FMD and BAD throughout gestation, both reference curves were characterized by wide 95% CIs.ConclusionDuring healthy pregnancy, endothelium‐dependent vasodilatation and BAD increase. Women with a complicated pregnancy had FMD values within the lower range when compared with those with uncomplicated pregnancy but, as a group, did not differ from each other. Copyright © 2017 ISUOG. Published by John Wiley & Sons Ltd.
Atomistic mechanisms of van der Waals epitaxy and property optimization of layered materials
Authors: Choi Jin‐Ho , Cui Ping , Chen Wei , Cho Jun‐Hyung , Zhang Zhenyu 
Published: February 2017

Since the first isolation of graphene from graphite in 2004, atomically thin or layered materials have been occupying the central stage of today's condensed matter physics and materials sciences because of their rich and exotic properties in two dimensions (2D). Many members of the ever‐expanding 2D materials family, such as graphene, silicene, phosphorene, borophene, hexagonal boron nitride, transition metal dichalcogenides, and even the strong topological insulators, share the distinct commonality of possessing relatively weak van der Waals (vdW) interlayer coupling, whereas each member may invoke its own fabrication approaches, and is characterized by its unique properties. In this review article, we first discuss the major atomistic processes and related morphological evolution in the epitaxial growth of vdW layered materials, including nucleation, diffusion, feedstock dissociation, and grain boundaries. Representative systems covered include the vdW epitaxy of both monolayered 2D systems and their lateral or vdW‐stacked heterostructures, emphasizing the vital importance of the vdW interactions in these systems. We also briefly highlight on some of the recent advances in the property optimization and functionalization of the 2D materials, especially in the fields of optics, electronics, and spintronics. WIREs Comput Mol Sci 2017, 7:e1300. doi: 10.1002/wcms.1300This article is categorized under:

Structure and Mechanism > Computational Materials Science
Electronic Structure Theory > Ab Initio Electronic Structure Methods
Theoretical and Physical Chemistry > Reaction Dynamics and Kinetics