bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis, Photophysical Properties, and Self‐Organization of Difurobenzosilole Derivatives
Authors: Li Liangchun , Li Shuhong , Zhao Cui‐Hua , Xu Caihong
Published: March 2014

A facile synthetic route was developed to fuse furan rings to a dibenzosilole core for the construction of difurobenzosilole derivatives through an electrophilic double cyclization reaction. Only silafluorene derivatives with electron‐donating groups on the periphery participated in this cyclization. Suzuki–Miyaura coupling and deiodination of the diiododifurobenzosiloles resulted in highly emissive silicon‐bridged dibenzofuran compounds. These obtained compounds exhibited very high luminescent quantum yields (93 to about 99 %) and good thermal stability. Single crystals of the silicon‐bridged dibenzofuran compound with a marginal phenyl group were easily grown and analyzed by single‐crystal X‐ray diffraction, whereas the deiodinated silicon‐bridged dibenzofuran compound showed a high tendency to self‐organize into 1D microfibers in various solvents such as hexane, toluene, and THF.
Pressure‐Induced Metallic Conductivity in the Single‐Component Molecular Crystal [Ni(dmit)2]
Authors: Cui Hengbo , Tsumuraya Takao , Miyazaki Tsuyoshi , Okano Yoshinori , Kato Reizo
Published: March 2014

Given that a molecular system has a soft lattice, high‐pressure applications are effective ways to discover new single‐component molecular metals and superconductors. In this study, we measured the high‐pressure electrical resistivity of a single‐component molecule crystal of [Ni(dmit)2] (dmit = 1,3‐dithiole‐2‐thione‐4,5‐dithiolate) up to 25.5 GPa by using a newly developed diamond anvil cell technique that generates high‐quality hydrostatic pressures. We successfully observed the metallic state over a wide temperature range above 15.9 GPa. Two different band calculation methods, tight‐binding calculations coupled with the interatomic repulsion model and ab initio DFT calculations, indicated that 2D and 3D Fermi surfaces appear under high pressures.
Synthesis, Characterisation, and Organocatalytic Activity of Chiral Tetrathiahelicene Diphosphine Oxides
Authors: Cauteruccio Silvia , Dova Davide , Benaglia Maurizio , Genoni Andrea , Orlandi Manuel , Licandro Emanuela
Published: March 2014

Two new chiral tetrathia[7]helicene (7‐TH) based tertiary phosphine oxides (±)‐2b and (±)‐2c, bearing two substituents on the phosphorus atoms with different steric and electronic properties, have been synthesised and fully characterised by means of analytical and spectroscopic techniques. The resolution of (±)‐2a–c into their antipodes was accomplished by HPLC separation on a chiral stationary phase, and their chiroptical properties were investigated by CD spectroscopy. The behaviour of 2a–c as organocatalysts was assessed in representative reactions mediated by tri‐ or tetrachlorosilane. 7‐TH‐based phosphine oxides 2a and 2b promoted both ketoimine reduction and stereoselective carbon–carbon bond formation in good chemical yields and diastereoselectivity, albeit with low enantioselectivity, thus opening the way to the development of a novel class of enantiopure helical‐based phosphorus organocatalysts.
Enhancing the bioactivity of polymeric implants by means of cold gas spray coatings
Authors: Gardon M. , Melero H. , Garcia‐Giralt N. , Dosta S. , Cano I. G. , Guilemany J. M.
Published: March 2014

Nanostructured anatase coatings were built‐up on biocompatible polyetheretherketone (PEEK) by means of cold gas spray (CGS). Titanium layer was previously desposited, which acted as bond coat between PEEK and metal oxide. Semicrystalline polymer was not degraded during the spraying process and starting composition of titanium dioxide was not affected. TiO2 was homogeneously obtained onto CGS Ti layer and completely covered the piece. Primary human osteoblasts were seeded onto biomaterials and in vitro cell experiments provided evidence to confirm that nanostructured anatase coatings deposited by cold gas spray improve the performance of PEEK implants. © 2014 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 102B: 1537–1543, 2014.
Detecting synoptic warming trends across the US Midwest and implications to human health and heat‐related mortality
Authors: Vanos J. K. , Kalkstein L. S. , Sanford T. J.
Published: March 2014

This paper highlights and expands on the extensive work concerning extreme heat events, and the environmental and societal factors that affect human health. Selections of this work were presented originally in a Union of Concerned Scientists public report (‘Heat in the Heartland’). As humans respond concomitantly to a suite of meteorological variables, we accordingly aim to examine summertime frequencies and characteristics of select synoptic weather types in the Midwestern United States, particularly those associated with elevated health impacts risk. We analyse five major urban centres, paired with five nearby smaller cities, to investigate the potential relative differences due to urban form and size. In virtually all of these locales, the frequency of health‐debilitating hot weather types has increased in the six most recent decades, with many of these also demonstrating statistically significant upward trends in air and dew point temperatures. This is most prevalent for overnight temperatures, where the hottest weather types display increasing overnight temperatures in both large and small cities, thus causing the diurnal temperature ranges to decrease. Furthermore, the prevalence of three or more consecutive runs of these days is on the rise, with all five large cities experiencing a higher number of heat waves today than in the late 1940s. We emphasize the importance of city‐level efforts to assist in minimizing future climate‐related health risks. Finally, we demonstrate the increasing human mortality response in one select city (Detroit, MI), which is estimated without the presence of city‐level efforts, targeted interventions, adaptation strategies, or physiological acclimatization. This highlights the importance of providing accurate heat‐health warnings to the public, and provides essential understanding of the Midwest US region's summertime climate trends.
Attention Bias Variability and Symptoms of Posttraumatic Stress Disorder
Authors: Iacoviello Brian M. , Wu Gang , Abend Rany , Murrough James W. , Feder Adriana , Fruchter Eyal , Levinstein Yoav , Wald Ilan , Bailey Christopher R. , Pine Daniel S. , Neumeister Alexander , Bar‐Haim Yair , Charney Dennis S.
Published: March 2014

Cognitive theories implicate information‐processing biases in the etiology of anxiety disorders. Results of attention‐bias studies in posttraumatic stress disorder (PTSD) have been inconsistent, suggesting biases towards and away from threat. Within‐subject variability of attention biases in posttraumatic patients may be a useful marker for attentional control impairment and the development of posttrauma symptoms. This study reports 2 experiments investigating threat‐related attention biases, mood and anxiety symptoms, and attention‐bias variability following trauma. Experiment 1 included 3 groups in a cross‐sectional design: (a) PTSD, (b) trauma‐exposed without PTSD, and (c) healthy controls with no trauma or Axis I diagnoses. Greater attention‐bias variability was found in the PTSD group compared to the other 2 groups ; attention‐bias variability was significantly and positively correlated (r = .37) with PTSD symptoms. Experiment 2 evaluated combat‐exposed and nonexposed soldiers before and during deployment. Attention‐bias variability did not differentiate groups before deployment, but did differentiate groups during deployment ; increased variability was observed in groups with acute posttraumatic stress symptoms and acute depression symptoms only. Attention‐bias variability could be a useful marker for attentional impairment related to threat cues associated with mood and anxiety symptoms after trauma exposure.
A simple acquisition strategy to avoid off‐resonance blurring in spiral imaging with redundant spiral‐in/out k‐space trajectories
Authors: Fielden Samuel W. , Meyer Craig H.
Published: March 2014

Purpose

The major hurdle to widespread adoption of spiral trajectories has been their poor off‐resonance performance. Here we present a self‐correcting spiral k‐space trajectory that avoids much of the well‐known spiral blurring during data acquisition.

Theory and Methods

In comparison with a traditional spiral‐out trajectory, the spiral‐in/out trajectory has improved off‐resonance performance. By combining two spiral‐in/out acquisitions, one rotated 180° in k‐space compared with the other, multishot spiral‐in/out artifacts are eliminated. A phantom was scanned with the center frequency manually tuned 20, 40, 80, and 160 Hz off‐resonance with both a spiral‐out gradient echo sequence and the redundant spiral‐in/out sequence. The phantom was also imaged in an oblique orientation in order to demonstrate improved concomitant gradient field performance of the sequence. Additionally, the trajectory was incorporated into a spiral turbo spin echo sequence for brain imaging.

Results

Phantom studies with manually tuned off‐resonance agree well with theoretical calculations, showing that moderate off‐resonance is well‐corrected by this acquisition scheme. Blur due to concomitant fields is reduced, and good results are obtained in vivo.

Conclusion

The redundant spiral‐in/out trajectory results in less image blur for a given readout length than a traditional spiral‐out scan, reducing the need for complex off‐resonance correction algorithms. Magn Reson Med 73:704–710, 2015. © 2014 Wiley Periodicals, Inc.
Focused screening of a panel of cancer‐related genetic polymorphisms reveals new susceptibility loci for pediatric acute lymphoblastic leukemia
Authors: Offenmüller Sonja , Ravindranath Yadddanapudi , Goyette Gerard , Kanakapalli Deepa , Miller Kathryn S. , Brecht Ines B. , Zolk Oliver
Published: March 2014

Background

A genetic predisposition to acute lymphoblastic leukemia (ALL) in childhood is well established. Currently known risk loci, however, explain only one third of the estimated total risk related to common genetic variations.

Procedure

We genotyped 1,421 polymorphisms in 407 candidate genes from the SNP500Cancer database (National Cancer Institute) using the Illumina Cancer SNP Panel. We investigated 78 cases (aged 0–19 years at diagnosis, and mixed ethnic background) of childhood B‐precursor ALL and compared genotype data with those of 1,417 HapMap controls. To account for the ethnic diversity of the study population, structured association by genetically matching cases and controls using identity‐by‐state similarity was used. Case‐control association analyses were performed using Cochran–Mantel–Haenszel tests, adjusted for the population substructure.

Results

Common variations rs6966 (3′ UTR of PPP1R13L, chr 19q13.32, P = 4.55 × 10−9) and rs414580 (intron 2 of MSR1, chr 8p22, P = 6.09 × 10−8) were significantly associated with ALL. These SNPs remained significant after adjustment for multiple testing. The SNP rs6966 tags a haplotype block which includes SNPs in PPP1R13L and ERCC2 genes, which are related to DNA repair and cell survival. rs6966 and rs414580 conferred allelic odds ratios of 3.74 (95% confidence interval [CI] 2.31–6.04) and 3.93 (95% CI 2.31–6.69), respectively.

Conclusions

These findings reveal two independent novel susceptibility loci for childhood ALL. Pediatr Blood Cancer 2014; 61:1411–1415. © 2014 Wiley Periodicals, Inc.
Composition‐dependent electrical and dielectric properties of polyaniline/graphene composites produced by in situ polymerization technique
Authors: Mahla D.K. , Rahaman M. , Khastgir D.
Published: March 2014

Polyaniline (Pani)/Graphene nanocomposites with different compositions were prepared by in situ polymerization of aniline in presence of graphene oxide. Two types of Pani/graphene composites were prepared, composite‐1: where graphite powder as procured is used for preparation of composites, composite‐2: graphite powder is subjected ball milling for further reduction of graphite particles size and then used for preparation of composites. DC and AC resistivity of these composites have been found to be composition dependent. In fact composite‐2 exhibit lower resistivity compared to composite‐1 at same composition. However, both composites show frequency‐independent AC resistivity but frequency‐dependent dielectric constant and loss. POLYM. COMPOS. 36:445–453, 2015. © 2014 Society of Plastics Engineers
Weighted profile likelihood‐based confidence interval for the difference between two proportions with paired binomial data
Authors: Pradhan Vivek , Saha Krishna K. , Banerjee Tathagata , Evans John C.
Published: March 2014

Inference on the difference between two binomial proportions in the paired binomial setting is often an important problem in many biomedical investigations. Tanget al.(2010,Statistics in Medicine) discussed six methods to construct confidence intervals (henceforth, we abbreviate it as CI) for the difference between two proportions in paired binomial setting using method of variance estimates recovery. In this article, we propose weighted profile likelihood‐based CIs for the difference between proportions of a paired binomial distribution. However, instead of the usual likelihood, we use weighted likelihood that is essentially making adjustments to the cell frequencies of a 2 × 2 table in the spirit of Agresti and Min (2005,Statistics in Medicine). We then conduct numerical studies to compare the performances of the proposed CIs with that of Tanget al.and Agresti and Min in terms of coverage probabilities and expected lengths. Our numerical study clearly indicates that the weighted profile likelihood‐based intervals and Jeffreys interval (cf. Tanget al.) are superior in terms of achieving the nominal level, and in terms of expected lengths, they are competitive. Finally, we illustrate the use of the proposed CIs with real‐life examples. Copyright © 2014 John Wiley & Sons, Ltd.
Parking Belval‐Université – ein P&R‐Parkhaus, das die Grenzen in Europa neu definiert
Authors: Schäfer Markus , Widong Marc , Klein Claude
Published: March 2014

Die Verkehrspolitik in Luxemburg sieht das Erstellen eines möglichst dichten Netzes an öffentlichen Verkehrsmitteln vor. Autofahrer, vor allem die Vielzahl der Grenzgänger aus dem angrenzenden Ausland, sollen bereits grenznah auf die Bahn umsteigen, um somit das Straßennetz über die Grenzen von Luxemburg hinaus zu entlasten. Im Jahr 2013 wurde mit der Eröffnung das Parkhauses Belval‐Université das erste einer Reihe geplanter Park

Parking Belval‐Université – A Park and Rail project is defining new boarders in Europe. Transport policy in Luxembourg provides the realization of a dense network of public transport. Motorists, especially the large number of commuters from the neighbor countries, should already change close to the borders to public traffic – especially to train. By that it is possible to relieve the national highways and also those in bordering regions. With the start into service of the new multi‐storey car park Belval‐Université in 2013, the first of a series of planned Park
Purification of G1 daughter cells from different Saccharomycetes species through an optimized centrifugal elutriation procedure
Authors: Marbouty Martial , Ermont Caroline , Dujon Bernard , Richard Guy‐Franck , Koszul Romain
Published: March 2014

Centrifugal elutriation discriminates cells according to their sedimentation coefficients, generating homogeneous samples well suited for genomic comparative approaches. It can, for instance, isolate G1 daughter cells from a Saccharomyces cerevisiae unsynchronized population, alleviating ageing and cell‐cycle biases when conducting genome‐wide/single‐cell studies. The present report describes a straightforward and robust procedure to determine whether a cell population of virtually any yeast species can be efficiently elutriated, while offering solutions to optimize success. This approach was used to characterize elutriation parameters and S‐phase progression of four yeast species (S. cerevisiae, Candida glabrata, Lachancea kluyveri and Pichia sorbitophila) and could theoretically be applied to any culture of single, individual cells. Copyright © 2014 John Wiley & Sons, Ltd.
Coordinated Lot-sizing and Dynamic Pricing under a Supplier All-units Quantity Discount
Authors: Transchel Sandra , Mirner Stefan
Published: March 2014

We consider an economic order quantity model where the supplier offers an all-units quantity discount and a price sensitive customer demand. We compare a decentralized decision framework where selling price and replenishment policy are determined independently to simultaneous decision making. Constant and dynamic pricing are distinguished. We derive structural properties and develop algorithms that determine the optimal pricing and replenishment policy and show how quantity discounts not only influence the purchasing strategy but also the pricing policy. A sensitivity analysis indicates the impact of the fixed-holding cost ratio, the discount policy, and the customers’ price sensitivity on the optimal decisions.
The Role of Ambidexterity in Marketing Strategy Implementation: Resolving the Exploration-Exploitation Dilemma
Authors: Prange Christiane , Schlegelmilch Bodo B.
Published: March 2014

Formulating consistent marketing strategies is a difficult task, but successfully implementing them is even more challenging. This is even more pertinent as marketing strategies quite often incorporate inherent conflicts between major breakthroughs and consolidation. Consequently, marketers need to balance exploratory and exploitative strategies. However, the literature lacks concrete insights for marketing managers as to how exploratory and exploitative strategies can be best combined. This paper addresses this issue by introducing a framework of multiple types of ambidexterity. Based on qualitative research, tools and procedures are identified to overcome marketing dilemmas and support strategy implementation by drawing on ambidextrous designs.
Investigating Research Streams of Conjoint Analysis: A Bibliometric Study
Authors: Teichert Thorsten , Shehu Edlira
Published: March 2014

Conjoint analysis (CA) is one of the most important methods for preference elicitation. In this paper we investigate the intellectual structure within the conjoint analytical research community. Analyses based on single papers provide a method-based overview of streams of conjoint research. By using novel bibliometric techniques in this field we complement findings of existing reviews. We use co-citation and factor analysis of the most cited articles in SSCI to identify the most important articles and research streams. Seven research streams are revealed which are visualized by means of multidimensional scaling. Tables and graphics reveal the disciplinary affiliations of contributors to CA, the special structure within the classes as well as links between them.
Metaheuristics for the Order Batching Problem in Manual Order Picking Systems
Authors: Henn Sebastian , Koch Sören , Doerner Karl F. , Strauss Christine , Wäscher Gerhard
Published: March 2014

In manual order picking systems, order pickers walk or drive through a distribution warehouse in order to collect items which are requested by (internal or external) customers. In order to perform these operations efficiently, it is usually required that customer orders are combined into (more substantial) picking orders of limited size. The Order Batching Problem considered in this paper deals with the question of how a given set of customer orders should be combined such that the total length of all tours is minimized which are necessary to collect all items. The authors introduce two metaheuristic approaches for the solution of this problem: the first one is based on Iterated Local Search; the second on Ant Colony Optimization. In a series of extensive numerical experiments, the newly developed approaches are benchmarked against classic solution methods. It is demonstrated that the proposed methods are not only superior to existing methods but provide solutions which may allow distribution warehouses to be operated significantly more efficiently.
Management Research on Reciprocity: A Review of the Literature
Authors: Göbel Markus , Vogel Rick , Weber Christiana
Published: March 2014

Although reciprocity is fundamental to all social orders, management research offers few reviews of the concept’s theoretical origins and current applications. To help bridge this gap, we elucidate the dominant understandings of reciprocity, ask which areas of research emerge from them, and explore how they interconnect. Our bibliometric methodology detects four clusters of management research on reciprocity. Across these clusters, authors subscribe mainly to substantialist ontology, marginalize morally oriented motives consistent with relational ontology, and largely assume that benefit-oriented motives underlie reciprocity. We outline the advantages of a moral-oriented relationalist concept of reciprocity and discuss potential areas for its development in management research.
Improving Environmental Scanning Systems Using Bayesian Networks
Authors: Welter Simon , Mayer Jörg H. , Quick Reiner
Published: March 2014

As companies’ environment is becoming increasingly volatile, scanning systems gain in importance. We propose a hybrid process model for such systems’ information gathering and interpretation tasks that combines quantitative information derived from regression analyses and qualitative knowledge from expert interviews. For the latter, we apply Bayesian networks. We derive the need for such a hybrid process model from a literature review. We lay out our model to find a suitable set of business environment indicators to forecast a company’s key financials. Deriving lessons learned from a prototype in the industrial sector, we evaluate the utility of our model following the design science research paradigm. We find our model to especially convince in completeness, transparency and transportability when compared with “pure” mathematical models.
Clinical Outcome and Complications of Transpedicular Closing-wedge Osteotomy for Correction of Deformity in Ankylosing Spondylitis in a Regional Hospital
Authors: Wing-Ngai Yim , Ka-Kin Cheung , Pak-Ho Chan Andrew , Hung-On Cheng , Yuk-Yin Chow
Published: March 2014

Study design

Prospective study of surgical correction of thoracolumbar kyphotic deformity caused by ankylosing spondylitis.

Objectives

To assess surgical outcomes and complications of thoracolumbar kyphotic deformity corrected with transpedicular closing-wedge osteotomy performed in a regional hospital.

Summary of background data

There have been several studies reporting on the results of surgical correction of deformity in ankylosing spondylitis all over the world. However, there has not been any local data published.

Methods

From 2003 to 2011, we had performed 12 transpedicular closing-wedge osteotomies in 9 patients with ankylosing spondylitis for correction of kyphotic and scoliotic deformity in thoracolumbar spine. Operative outcomes were assessed clinically by recording the Japanese Orthopaedic Association (JOA) scores, visual analogue scale (VAS) pain scores, Oswestry Disability Index (ODI) preoperatively and postoperatively and patient satisfaction postoperatively. Radiological outcome was assessed by measuring thoracic kyphosis, lumbar lordosis and sagittal plumb line preoperatively and postoperatively as well as the degree of surgical correction. Occurrence of complications was recorded by our standard audit protocol.

Results

All patients had a single level of osteotomy done at a time. Most of the osteotomies were done at L2 or L3. The mean amount of correction was 21.6°. Complications included dural tear, pseudoarthrosis and transient radiculopathy. The extent of correction and incidence of complications improved with experience.

Conclusion

Despite transpedicular closing-wedge osteotomy being a major operation that is not without complications, most of our patients had good clinical results and subjective satisfaction.
Books for Children, Books for Adults
Authors: Michals Teresa
Published: March 2014

In this groundbreaking and wide-ranging study, Teresa Michals explores why some books originally written for a mixed-age audience, such as Daniel Defoe's Robinson Crusoe, eventually became children's literature, while others, such as Samuel Richardson's Pamela, became adult novels. Michals considers how historically specific ideas about age shaped not only the readership of novels, but also the ways that characters are represented within them. Arguing that age is first understood through social status, and later through the ideal of psychological development, the book examines the new determination of authors at the end of the nineteenth century, such as Henry James, to write for an audience of adults only. In these novels and in their reception, a world of masters and servants became a world of adults and children.
Plasmonic Nanoelectronics and Sensing
Authors: Li Er-Ping , Chu Hong-Son
Published: March 2014

Plasmonic nanostructures provide new ways of manipulating the flow of light with nanostructures and nanoparticles exhibiting optical properties never before seen in the macro-world. Covering plasmonic technology from fundamental theory to real world applications, this work provides a comprehensive overview of the field.
• Discusses the fundamental theory of plasmonics, enabling a deeper understanding of plasmonic technology
• Details numerical methods for modeling, design and optimization of plasmonic nanostructures
• Includes step-by-step design guidelines for active and passive plasmonic devices, demonstrating the implementation of real devices in the standard CMOS nanoscale electronic-photonic integrated circuit to help cut design, fabrication and characterisation time and cost
• Includes real-world case studies of plasmonic devices and sensors, explaining the benefits and downsides of different nanophotonic integrated circuits and sensing platforms.
Ideal for researchers, engineers and graduate students in the fields of nanophotonics and nanoelectronics as well as optical biosensing.
Planetary Rings
Authors: Esposito Larry W.
Published: March 2014

Fully updated and expanded, this new edition presents a cutting-edge summary of planetary rings, including results from Cassini's Saturn System, Equinox and Solstice missions, and the New Horizons flyby of Jupiter. The book introduces basic physical processes and simple mathematical approaches in an accessible manner, including N-body and stochastic models of ring dynamics. Further revised chapters present highlighted topics including Saturn's F ring, Uranus' rings and moons, Neptune's partial rings, dusty rings, and Jupiter's ring-moon system after Galileo and New Horizons. Cassini results are fully integrated throughout, including new images in color, and a new Afterword links ring images in the Cassini 'Hall of Fame' gallery to the relevant explanation in the text. An online cache of images and videos from NASA's collection makes it easy to locate relevant and beautiful illustrative materials. This is a key resource for students, researchers and professionals in planetary science, astronomy and space-mission research.
A Matter of Difference: Karen Barad, Ontology and Archaeological Bodies
Authors: Marshall Yvonne , Alberti Benjamin
Published: March 2014

This article explores the implications of adopting Karen Barad's agential realist approach in archaeology. We argue that the location of Barad's work in quantum physics and feminism means it is uniquely placed to inform the ontological turn currently gaining favour for understanding the materiality of bodies. We outline Barad's approach using a comparative reading of Sofaer's book The Body as Material Culture and Barad's Meeting the Universe Halfway. To illustrate, we think through Barad's key concepts of ‘phenomenon’, ‘intra-action’ and ‘apparatus’ in relation to specific archaeological bodies; New Zealand Maori chevron amulets, Argentinean La Candelaria body-pots, Pacific Northwest Coast stone artefacts and Nuu-chah-nulth ceremonial objects. Barad's theory transforms the way we understand and think these object bodies. In particular, her relational ontology, which contrasts with a conventional binary separation of matter and meaning, produces difference in a new way; a difference which facilitates analyses conceptually unthinkable in conventional representationalist terms.
Targeting the mitochondrial apoptotic pathway: a preferred approach in hematologic malignancies?
Authors: Brinkmann K , Kashkar H
Published: March 2014

Acquired resistance toward apoptosis represents one of the hallmarks of human cancer and a major cause of the inefficacy of most anticancer treatment regimens. Based on its ability to inhibit apoptosis, the B-cell lymphoma/leukemia 2 (Bcl-2) protein family has garnered the most attention as a promising therapeutic target in cancer. Accordingly, efforts have lately been focused on the development of drugs targeting Bcl-2 proteins with considerable therapeutic success, particularly in hematologic malignancies. Here, we review the previous studies and highlight the pivotal role of the Bcl-2 protein family in the homeostasis of hematologic tissue compartment. This knowledge provides more insight into why some cancers are more sensitive to Bcl-2 targeting than others and will foster the clinical evaluation of Bcl-2-targeting strategies in cancer by avoiding severe on-target side effects in the development of healthy tissues.
Mammalian protein glycosylation – structure versus function
Authors: Defaus S. , Gupta P. , Andreu D. , Gutiérrez-Gallego R.
Published: March 2014

This review highlights relevant aspects of structural analysis of carbohydrates, attributed functions at different levels, and current discoveries on the relevance of mammalian protein glycosylation through structural assessment in a biological environment.
Synthesis of ZnO nanorods and their application in the construction of a nanostructure-based electrochemical sensor for determination of levodopa in the presence of carbidopa
Authors: Molaakbari Elahe , Mostafavi Ali , Beitollahi Hadi , Alizadeh Reza
Published: March 2014

A novel carbon paste electrode modified with ZnO nanorods and 5-(4′-amino-3′-hydroxy-biphenyl-4-yl)-acrylic acid (3,4′-AAZCPE) was fabricated.
Photophysical properties of bridged core-modified hexaphyrins: conjugational perturbation of thiophene bridges
Authors: Lim Jong Min , Ganesan Karthik , Sung Young Mo , Srinivasan Alagar , Chandrashekar Tavarekere K. , Kim Dongho
Published: March 2014

The role of thiophene bridges in determining the photophysical properties of bridged core-modified hexaphyrins is investigated.
A facile and generic method to improve cathode materials for lithium-ion batteries via utilizing nanoscale surface amorphous films of self-regulating thickness
Authors: Huang Jiajia , Luo Jian
Published: March 2014

Spontaneously-formed surface amorphous films (SAFs) of self-regulating thickness are utilized to improve the performance of cathode materials for lithium-ion batteries.
Pharmacokinetics and preventive effects of platinum nanoparticles as reactive oxygen species scavengers on hepatic ischemia/reperfusion injury in mice
Authors: Katsumi Hidemasa , Fukui Kentaro , Sato Kanako , Maruyama Shoko , Yamashita Shugo , Mizumoto Erika , Kusamori Kosuke , Oyama Munetaka , Sano Masataka , Sakane Toshiyasu , Yamamoto Akira
Published: March 2014

Platinum nanoparticles predominantly accumulated in liver and effectively suppressed hepatic ischemia/reperfusion injury in mice.
Assessing the subcellular distribution of oncogenic phosphoinositide 3-kinase using microinjection into live cells
Authors: Layton Meredith J. , Rynkiewicz Natalie K. , Ivetac Ivan , Horan Kristy A. , Mitchell Christina A. , Phillips Wayne A.
Published: March 2014

Oncogenic mutations in PIK3CA lead to an increase in intrinsic phosphoinositide kinase activity, but it is thought that increased access of PI3Kα (phosphoinositide 3-kinase α) to its PM (plasma membrane) localized substrate is also required for increased levels of downstream PIP3/Akt [phosphoinositide-3,4,5-trisphosphate/also called PKB (protein kinase B)] signalling. We have studied the subcellular localization of wild-type and the two most common oncogenic mutants of PI3Kα in cells maintained in growth media, and starved or stimulated cells using a novel method in which PI3Kα is pre-formed as a 1:1 p110α:p85α complex in vitro then introduced into live cells by microinjection. Oncogenic E545K and H1047R mutants did not constitutively interact with membrane lipids in vitro or in cells maintained in 10% (v/v) FBS. Following stimulation of RTKs (receptor tyrosine kinases), microinjected PI3Kα was recruited to the PM, but oncogenic forms of PI3Kα were not recruited to the PM to a greater extent and did not reside at the PM longer than the wild-type PI3Kα. Instead, the E545K mutant specifically bound activated Cdc42 in vitro and microinjection of E545K was associated with the formation of cellular protrusions, providing some preliminary evidence that changes in protein–protein interactions may play a role in the oncogenicity of the E545K mutant in addition to the well-known changes in lipid kinase activity.
Molecular rheological analysis on binary blends of perfluoropolyether lubricants
Authors: Seung Chung Pil , Hari Vemuri Sesha , Park Sejoon , Jhon Myung S.
Published: March 2014

The molecular rheology of PFPE becomes critically important in designing optimal lubricants that control the friction/wear and air-bearing by tuning elastic or viscous shear/elongation deformations, which affect the performance and reliability of the hard disk drive. In this paper, we examine the rheological responses of nano blended PFPEs including storage (elastic) and loss (viscous) moduli (G′ and G″), by monitoring the time-dependent-stress-strain relationship via non-equilibrium molecular dynamics simulations. By introducing binary blend of nonfunctional and functional PFPEs, we control the degree of liquid/solid-like behavior using the rheology as a complementary tool for design criteria by tuning molecular conformation and diffusion with nano blend ratio.
Small-energy analysis for the selfadjoint matrix Schrödinger operator on the half line. II
Authors: Aktosun Tuncay , Klaus Martin , Weder Ricardo
Published: March 2014

The matrix Schrödinger equation with a selfadjoint matrix potential is considered on the half line with the most general selfadjoint boundary condition at the origin. When the matrix potential is integrable and has a second moment, it is shown that the corresponding scattering matrix is differentiable at zero energy. An explicit formula is provided for the derivative of the scattering matrix at zero energy. The previously established results when the potential has only the first moment are improved when the second moment exists, by presenting the small-energy asymptotics for the related Jost matrix, its inverse, and various other quantities relevant to the corresponding direct and inverse scattering problems.
Matrix effect on vibrational frequencies: Experiments and simulations for HCl and HNgCl (Ng = Kr and Xe)
Authors: Kalinowski Jaroslaw , Gerber R. Benny , Räsänen Markku , Lignell Antti , Khriachtchev Leonid
Published: March 2014

We study the environmental effect on molecules embedded in noble-gas (Ng) matrices. The experimental data on HXeCl and HKrCl in Ng matrices is enriched. As a result, the H−Xe stretching bands of HXeCl are now known in four Ng matrices (Ne, Ar, Kr, and Xe), and HKrCl is now known in Ar and Kr matrices. The order of the H−Xe stretching frequencies of HXeCl in different matrices is ν(Ne) < ν(Xe) < ν(Kr) < ν(Ar), which is a non-monotonous function of the dielectric constant, in contrast to the “classical” order observed for HCl: ν(Xe) < ν(Kr) < ν(Ar) < ν(Ne). The order of the H−Kr stretching frequencies of HKrCl is consistently ν(Kr) < ν(Ar). These matrix effects are analyzed theoretically by using a number of quantum chemical methods. The calculations on these molecules (HCl, HXeCl, and HKrCl) embedded in single Ng′ layer cages lead to very satisfactory results with respect to the relative matrix shifts in the case of the MP4(SDQ) method whereas the B3LYP-D and MP2 methods fail to fully reproduce these experimental results. The obtained order of frequencies is discussed in terms of the size available for the Ng hydrides in the cages, probably leading to different stresses on the embedded molecule. Taking into account vibrational anharmonicity produces a good agreement of the MP4(SDQ) frequencies of HCl and HXeCl with the experimental values in different matrices. This work also highlights a number of open questions in the field.
Optimal control of charge transfer for slow H+ + D collisions with shaped laser pulses
Authors: Zhang Wei , Shu Chuan-Cun , Ho Tak-San , Rabitz Herschel , Cong Shu-Lin
Published: March 2014

We show that optimally shaped laser pulses can beneficially influence charge transfer in slow H++D collisions. Time-dependent wave packet optimal control simulations are performed based on a two-state adiabatic Hamiltonian. Optimal control is performed using either an adaptive or a fixed target to obtain the desired laser control field. In the adaptive target scheme, the target state is updated according to the renormalized fragmentary yield in the exit channel throughout the optimization process. In the fixed target scheme, the target state in the exit channel is a normalized outgoing Gaussian wave packet located at a large internuclear separation. Both approaches produced excellent optimal outcomes, far exceeding that achieved in the field-free collisional charge transfer. The adaptive target scheme proves to be more efficient, and often with complex final wave packet. In contrast, the fixed target scheme, although more slowly convergent, is found to produce high fidelity for the desired target wave packet. The control mechanism in both cases utilizes bound vibrational states of the transient HD+ complex.
The complex scaled multiconfigurational time-dependent Hartree-Fock method for studying resonant states: Application to the 2 s2 He Feshbach resonance
Authors: Liang Liyuan , Yeager Danny L.
Published: March 2014

The complex scaled multiconfigurational time-dependent Hartree-Fock method (CMCTDHF also called the complex scaled multiconfigurational linear response method) is used to study the doubly excited He 2s2 Feshbach resonance energy and lifetime. Various even-tempered Gaussian basis set/complete active space (CAS) combinations are examined. The results are compared with the complex scaled full configuration interaction (FCI) [P. R. Zdanska and N. Moiseyev, J. Chem. Phys. 123, 194105 (2005)], complex-scaled equation-of-motion coupled-cluster method with single and double substitutions [K. B. Bravaya, D. Z. Zuev, E. Epifanovsky, and A. I. Krylov, J. Chem. Phys. 138, 124106 (2013)], and exact numerical calculations [Y. K. Ho, Phys. Rev. A 23, 2137 (1981); E. Lindroth, Phys. Rev. A 49, 4473 (1994); A. Bürgers, D. Wintgren, and J.-M. Ross, J. Phys. B 28, 3163 (1995); and N. Elander, S. Levin, and E. Yarevsky, Phys. Rev. A 67, 062508 (2003)]. It is shown that CMCTDHF is able to provide highly accurate resonance parameters with a fairly small size of basis set and CAS, where the computational resources required are much less than the complex scaled FCI method and exact numerical results.
Conductance fluctuation of edge-disordered graphene nanoribbons: Crossover from diffusive transport to Anderson localization
Authors: Takashima Kengo , Yamamoto Takahiro
Published: March 2014

Conductance fluctuation of edge-disordered graphene nanoribbons (ED-GNRs) is examined using the non-equilibrium Green's function technique combined with the extended Hückel approximation. The mean free path λ and the localization length ξ of the ED-GNRs are determined to classify the quantum transport regimes. In the diffusive regime where the length Lc of the ED-GNRs is much longer than λ and much shorter than ξ, the conductance histogram is given by a Gaussian distribution function with universal conductance fluctuation. In the localization regime where Lc≫ξ, the histogram is no longer the universal Gaussian distribution but a lognormal distribution that characterizes Anderson localization.
Opening a large full phononic band gap in thin elastic plate with resonant units
Authors: Ma Jiahong , Hou Zhilin , Assouar Badreddine M.
Published: March 2014

In this paper, the mechanism for opening a locally resonant band gap in a thin elastic plate is investigated. Two previously suggested structures, which are constructed by periodically drilling holes on elastic plate and then filling them with the rubber-coated masses, or just by periodically stubbing the rubber rods with mass cap on the plate, are revisited. We find that, because of the partial band gaps for in-plane and out-of-plane plate modes cannot be appropriately overlapped, the full band gaps in both of the structures are generally narrow. The reason for this phenomenon is based on the selective coupling between the different resonant patterns of the resonant units and the in-plane and out-of-plane plate modes. Based on the understanding, a new structure with the three-layered spherical resonant units is proposed. Numerical results show that, making use of such kind of resonant units, a large sub-wavelength full band gap can be opened.
A combined method to estimate parameters of the thalamocortical model from a heavily noise-corrupted time series of action potential
Authors: Wang Ruofan , Wang Jiang , Deng Bin , Liu Chen , Wei Xile , Tsang K. M. , Chan W. L.
Published: March 2014

A combined method composing of the unscented Kalman filter (UKF) and the synchronization-based method is proposed for estimating electrophysiological variables and parameters of a thalamocortical (TC) neuron model, which is commonly used for studying Parkinson's disease for its relay role of connecting the basal ganglia and the cortex. In this work, we take into account the condition when only the time series of action potential with heavy noise are available. Numerical results demonstrate that not only this method can estimate model parameters from the extracted time series of action potential successfully but also the effect of its estimation is much better than the only use of the UKF or synchronization-based method, with a higher accuracy and a better robustness against noise, especially under the severe noise conditions. Considering the rather important role of TC neuron in the normal and pathological brain functions, the exploration of the method to estimate the critical parameters could have important implications for the study of its nonlinear dynamics and further treatment of Parkinson's disease.
Magnetosonic waves interactions in a spin-12 degenerate quantum plasma
Authors: Li Sheng-Chang , Han Jiu-Ning
Published: March 2014

We investigate the magnetosonic waves and their interactions in a spin-12 degenerate quantum plasma. With the help of the extended Poincaré-Lighthill-Kuo perturbation method, we derive two Korteweg-de Vries-Burgers equations to describe the magnetosonic waves. The parameter region where exists magnetosonic waves and the phase diagram of the compressive and rarefactive solitary waves with different plasma parameters are shown. We further explore the effects of quantum diffraction, quantum statistics, and electron spin magnetization on the head-on collisions of magnetosonic solitary waves. We obtain the collision-induced phase shifts (trajectory changes) analytically. Both for the compressive and rarefactive solitary waves, it is found that the collisions only lead to negative phase shifts. Our present study should be useful to understand the collective phenomena related to the magnetosonic wave collisions in degenerate plasmas like those in the outer shell of massive white dwarfs as well as to the potential applications of plasmas.
Digital mapping of a soil drainage index for irrigated enterprise suitability in Tasmania, Australia
Authors: Kidd D. B. , Malone B. P. , McBratney A. B. , Minasny B. , Webb M. A.
Published: March 2014

An operational Digital Soil Assessment was developed to inform land suitability modelling in newly commissioned irrigation schemes in Tasmania, Australia. The Land Suitability model uses various soil parameters, along with other climate and terrain surfaces, to identify suitable areas for various agricultural enterprises for a combined 70 000-ha pilot project area in the Meander and Midlands Regions of Tasmania. An integral consideration for irrigable suitability is soil drainage. Quantitative measurement and mapping can be resource-intensive in time and associated costs, whereas more ‘traditional’ mapping approaches can be generalised, lacking the detail required for statistically validated products. The project was not sufficiently resourced to undertake replicated field-drainage measurements and relied on expert field drainage estimates at ~930 sites (260 of these for independent validation) to spatially predict soil drainage for both areas using various terrain-based and remotely sensed covariates, using three approaches: (a) decision tree spatial modelling of discrete drainage classes; (b) regression-tree spatial modelling of a continuous drainage index; (c) regression kriging (random-forests with residual-kriging) spatial modelling of a continuous drainage index. Method b was chosen as the best approach in terms of interpretation, and model training and validation, with a concordance coefficient of 0.86 and 0.57, respectively. A classified soil drainage map produced from the ‘index’ showed good agreement, with a linearly weighted kappa coefficient of 0.72 for training, and 0.37 for validation. The index mapping was incorporated into the overall land suitability model and proved an important consideration for the suitability of most enterprises.
Soil potassium relationships, uptake efficiency and availability for six distinctive soils in central and southern New South Wales, Australia
Authors: Holland Jonathan , Conyers Mark , Orchard Beverley , Poile Graeme
Published: March 2014

Most soils in eastern Australian contain abundant soil potassium (K) reserves, and it is often assumed that there are no problems with soil K status. However, soil K deficiency has been reported in selected locations, and for viticulture, there are potential problems with high soil K concentrations due to the application of winery wastewater. This study investigated different soil K variables and plant variables for six soils with distinctive properties from across central and southern New South Wales to determine the presence of soil K deficiency and to understand the effect of adding K on the dynamics of soil K availability. A glasshouse experiment compared the selected soils under three fertiliser K rates with forage kale as the test species. Highly significant differences (P < 0.001) were found for soil and fertiliser K rate effects for three measures of soil K (solution K, soln K; exchangeable K, exch. K; tetraphenyl borate K; TBK). Significant soil and fertiliser rate effects were detected (P < 0.001 and P = 0.04 respectively) for the plant shoot (stem and leaf) biomass and nutrient uptake efficiency (UPE) index, but no plant K deficiency was detected; in fact, luxury K consumption was likely. Quantification of K efficiency indices (UPE and utilisation efficiency, UTE) demonstrated significant differences between the soils in the ease with which K was removed. This was illustrated by the negative correlation between both UPE and UTE with final exch. K. From soil properties potentially related to soil K variables, a significant linear regression relationship (P = 0.05) was found for TBK with illite and clay content. By contrast, a linear regression relationship between exch. K and illite content only was weaker (P = 0.09). These relationships show how soil properties (especially mineralogy) can predict soil K variables. A significant positive log–log relationship was found between exch. K or TBK for 37 Queensland soils and the same soil K measures from this study, consistent with this relationship. This relationship indicates that TBK can be effectively predicted from measuring exch. K for a wide range of soils across eastern Australia, but more research is required to understand the value of TBK to predict soil K availability.