bluuebunny/crossref_metadata_2025 huggingface dataset:
Novel materials for electronic, optoelectronic, photovoltaic, and energy saving applications
Authors: Godlewski M. , Zakrzewski A. J.
Published: September 2014

The Symposium F: “Novel materials for electronic, optoelectronic, photovoltaic and energy saving applications” of the 2013 E‐MRS Fall Meeting (held in Warsaw, Poland, on 16–20 September 2013) was organized to cover many important aspects of basic and applied research of novel materials for present and future industrial applications. Particular emphasis was given to new technological and application concepts concerning both bulk crystals and various quantum structures of reduced dimensionality, like quantum wells and quantum dots (nanoparticles). The presented results on application‐oriented materials were mostly focused on light emitting structures, light detectors, solar cells and materials for spintronics. Special attention was given to the technological aspects and challenges: growth techniques, defect control and structure optimization, doping procedures, optical properties and degradation processes. Relevant experimental techniques and crystal growth procedures were also discussed. Experimental results were compared with theoretical calculations giving deeper insight into many problems of modern materials science. Over 100 researchers from all over the world participated in this symposium, giving in all 15 invited lectures, 38 contributed talks and 70 poster presentations.
Eurocode 2 – analysis of National Annexes
Authors: Ignatiadis Anett , Fingerloos Frank , Hegger Josef , Teworte Frederik
Published: September 2014

Eurocode 2 consists of four parts that have to be applied in conjunction with the respective National Annexes of the CEN member states. The National Annexes were introduced, in particular, to maintain national safety levels and to account for regional aspects in the different states.

The CEN (European Committee for Standardization) will revise and extend all structural Eurocodes by 2018. As part of that process, two main objectives for revising Eurocodes have been formulated: a reduction in the number of Nationally Determined Parameters (NDP) and improving the “ease of use”.

In order to reduce the number of NDP, improve the ease of use and allow for further harmonization without changing the main structure and the design models of Eurocode 2, the National Annexes of EN 1992‐1‐1 for the different CEN member states have been compared and analysed. Furthermore, the analysis of the National Annexes may help to identify some main aspects for the revision of Eurocode 2.

This paper summarizes the analysis of the National annexes of EN 1992‐1‐1 and makes first proposals for further harmonization.
My Favorite Aromatic Compounds—A Tribute to Friedrich August Kekulé
Authors: Hopf Henning
Published: September 2014

graphic

[For a discussion of this picture, please see the Editor’s postscript at the end of the paper]

Note from the Editor:

We are all collectors. All one needs to do is explore a flea market, an antique fair or especially a weekend street market to understand the range of human collections. Tetsuo Nozoe, whom this project celebrates, collected autographs as well as the friendship of those who signed his books! What we collect doesn't necessarily have to be tangible. We all collect memories, stories, and anecdotes. We chemists are particularly privileged: we also collect molecules and reactions. In the essay that follows, Professor Henning Hopf shares with us his collection of favorite aromatic compounds. Hopf is the perfect chemist to have undertaken this sharing, for he has been active in the field of novel aromatic compounds for over four decades. Furthermore, Hopf is a deeply philosophical scientist. I very much admire his 2008 paper with Roald Hoffmann, “Learning from Molecules in Distress” published in Angewandte Chemie, a journal from the same pubilshers as The Chemical Record. As you read the paper that follows, imagine that Professor Hopf has just welcomed you to his home and is giving you a tour of his artwork. The walls are covered with works of Boekelheide, Cram, Fittig, Hückel, Kuck, Müllen, Newman, Scott, and Willstätter among others. Oh, yes, there's a Hopf or two! Enjoy your time in this very special museum.

—Jeffrey I. Seeman

Guest Editor

University of Richmond

Richmond, Virginia 23173, USA

E‐mail: jseeman@richmond.edu
Defining management units for European captive aardvarks
Authors: Pohlová Ludmila , Schepsky Pauline , Lehmann Thomas , Hochkirch Axel , Masopustová Renata , Šimek Jaroslav , Schoo Wineke , Vodička Roman , Robovský Jan
Published: September 2014

The Aardvark (Orycteropus afer) is a very unique, but relatively widespread African mammal. Although some morphological variation has been observed between forest and savannah populations and among different African regions, they are all considered as a single species. However, no modern taxonomic revision is available. All captive aardvarks in Europe are believed to stem from wild born animals from Namibia, but recently several new wild‐caught aardvarks from Tanzania have been integrated into the captive population. This raises the question, whether these specimens should be interbred with the existing captive population or whether there is a risk of outbreeding depression. We studied the genetic structure of the captive populations by sequencing two mitochondrial genes (cytochromeband 16S rRNA) to assess the degree of genetic differentiation between the two source regions. Our data suggest that the aardvarks kept in European zoos belong to the same phylogenetic (mitochondrial) lineage as the differentiation in the two studied mitochondrial markers was extremely low. A more comprehensive analysis of a larger sample with well documented origin (covering the complete geographic range) and with more sensitive genetic markers is needed to infer any final conclusions concerning the aardvark's taxonomy and identification of suitable aardvark management units. Zoo Biol. 33:433–439, 2014. © 2014 Wiley Periodicals Inc.
GC‐EI‐MS Analysis of Fatty Acid Composition in Brain and Serum of Twitcher Mouse
Authors: Zanfini Assunta , Dreassi Elena , Berardi Anna , Piomboni Paola , Costantino‐Ceccarini Elvira , Luddi Alice
Published: September 2014

Globoid cell leukodystrophy or Krabbe disease is an inherited autosomal recessive disorder caused by mutations in the galactosylceramidase gene. The objective of the study was to present information about the fatty acid (FA) composition of the brain and serum of twitcher mice, a mouse model of Krabbe disease, compared to wild type, in order to identify biomarker of disease progression. We defined the FA profiles by identifying the main components present in serum and brain using GC‐EI‐MS analysis. The FA percentage composition was measured and data were analyzed considering the disease and the mouse age as experimental factors. Significant correlations were established, both in brain and in serum, in the fatty acid percentage composition of twitcher compared to wild type mice. The most abundant saturated fatty acid in brain was the palmitic acid (C16:0) with mean values significantly increased in twitcher mouse (p = 0.0142); moreover, three monounsaturated, three polyunsaturated (PUFA) and a plasmalogen were significantly correlated to disease. In the serum highly significant differences were observed between the two groups for three polyunsaturated fatty acids. In fact, the docosahexaenoic acid (C22:6n3c) content was significantly increased (p = 0.0116), while the C20 PUFA (C20:3n6c and C20:5n3c) were significantly decreased in twitcher serum samples. Our study shows a specific FA profile that may help to define a possible pattern that could distinguish between twitcher and wild type; these data are likely to provide insight in the identification of new biomarkers to monitor the disease progression and thereby permit the critical analysis of therapeutic approaches.
Measurement of Distance Walked by Older Adults Participating in Subacute Rehabilitation
Authors: Bohannon Richard W. , Gorack Walter
Published: September 2014

Background

Managing in the community without accommodation requires that persons be able to walk an adequate distance. However, little information is available regarding how walking distance changes over the course of inpatient rehabilitation.

Objectives

To describe, for inpatients participating in subacute rehabilitation, the distances walked without stopping at admission and discharge and to document the reliability and responsiveness of the measure.

Design

Observational longitudinal study.

Setting

Subacute rehabilitation.

Patients

Male and female inpatients of multiple diagnostic groups who were at least 60 years old (n = 130).

Methods

Participants were asked to walk at a self‐selected speed as far as they could without stopping. They walked on a 15.2‐m out‐and‐back course for a maximum of 2 minutes upon admission, the next day, and at discharge.

Results

The mean distances walked upon admission, the next day, and at discharge were 35.6, 39.9, and 77.0 m, respectively. Good test‐retest reliability was demonstrated for the distances walked upon admission and the next day (intraclass correlation coefficient = 0.948). The distance walked increased significantly between admission and discharge (t = 22.22, P < .001). The effect size and standardized response mean for these distances were large—2.36 and 1.95, respectively. The minimum detectable change was 11.1 m. The minimal clinically important difference determined by receiver operator characteristic curve analysis ranged from 28.8 m to 43.6 m depending on the anchor used. The associated areas under the curve ranged from 0.700‐0.897.

Conclusions

Based on our findings, we conclude that distance walked without stopping is an informative, reliable, and responsive measure of gait performance for patients undergoing subacute rehabilitation. We therefore encourage the systematic documentation of distance walked among inpatients undergoing subacute rehabilitation.
Effects of an Aquatic‐Based Exercise Program to Improve Cardiometabolic Profile, Quality of Life, and Physical Activity Levels in Men With Type 2 Diabetes Mellitus
Authors: Cugusi Lucia , Cadeddu Christian , Nocco Silvio , Orrù Fabio , Bandino Stefano , Deidda Martino , Caria Alessandra , Bassareo Pier Paolo , Piras Alessandra , Cabras Sergio , Mercuro Giuseppe
Published: September 2014

Background

The role of structured exercise in improving cardiometabolic profile and quality of life in patients with type 2 diabetes mellitus (2DM) has been widely demonstrated. Little is known about the effects of an aquatic‐based exercise program in patients with 2DM.

Objective

To evaluate the effects of a supervised aquatic‐based exercise program on cardiometabolic profile, quality of life, and physical activity levels in patients with 2DM.

Design and Setting

Observational study, community pre‐post aquatic‐based exercise program, primary care intervention.

Patients

Eighteen men diagnosed with 2DM (52.2 ± 9.3 years).

Methods

and Main Outcome Measurements: Cardiometabolic profile, quality of life, and physical activity levels were assessed before and after 12 weeks of an aquatic‐based exercise program.

Results

The results show a significant improvement of cardiometabolic assessments (maximum oxygen consumption: 24.1 versus 21.1 mL/kg/min, P < .05; blood pressure: 125.4/77 versus 130.7/82.5 mm Hg, P < .05; fasting blood glucose: 119.6 versus 132.5 mg/dL, P < .05; body mass index: 29.9 versus 31.1 kg/m², P < .005; low‐density lipoprotein cholesterol: 95.2 versus 104.9 mg/dL, P < .05; and diastolic function: E/E′ 9.1 versus 10.1, P < .005) and an increase in quality of life and physical activity levels (Medical Outcome Study 36‐item Short Form Health Survey mental component summary: 72.3 versus 67, P < .05; Problems Area About Diabetes: 20.1 versus 33.2, P < .005) and energy expenditure in general physical activity (physical activity: 3888.7 versus 1239.5 kcal/wk, P < .05).

Conclusions

These findings demonstrate that an aquatic‐based exercise program produces benefits for the cardiovascular system and metabolic profile and appears to be safe and effective in improving quality of life and increasing physical activity levels in patients with 2DM.
Climate and Biomass Control on Fire Activity during the Late-Glacial/Early-Holocene Transition in Temperate Ecosystems of the Upper Rhone Valley (France)
Authors: Doyen Élise , Vannière Boris , Rius Damien , Bégeot Carole , Millet Laurent
Published: September 2014

The main objective of this study is to document paleofire activity during the late-glacial/early-Holocene transition in temperate ecosystems. For this purpose, we cored lakes Paladru and Moras (Rhone valley, France) and quantified sedimentary charcoal accumulation rate and fire frequency. To assess the role of climate and vegetation in paleofire activity, charcoal data were compared to vegetation dynamics based on pollen analyses and to climate reconstructions. The first increase in paleofire activity occurred at the beginning of the Bølling/Allerød Interstadial period (14,500 cal yr BP), synchronous with temperature and fire-prone vegetation increases. During the Younger Dryas, paleofire activity first decreased (12,600–12,200 cal yr BP) and then abruptly increased (12,200–11,600 cal yr BP). This change corresponds to a known climate partitioning that occurred during the Younger Dryas and implies that a sufficient quantity of biomass was available during the second period. At the beginning of the Holocene, fire activity remained high. This is in agreement with the increases in temperature and vegetation density. The change in forest composition since ca. 11,200 cal yr BP partly explains the decrease in paleofire activity, whereas warm climate conditions seem suitable for fire ignition and propagation.
Mechanical and Psychological Effects of Electoral Reform
Authors: Fiva Jon H. , Folke Olle
Published: September 2014

To understand how electoral reform affects political outcomes, one needs to assess its total effect, incorporating how the reform affects the outcomes given the political status quo (the mechanical effects) and the additional reactions of political agents (the psychological effects). This article proposes a framework to ascertain the relative magnitude of mechanical and various psychological effects. The empirical approach is based on pairwise comparisons of actual and counterfactual seat allocation outcomes. It uses the design to analyze a nationwide municipal electoral reform in Norway, which changed the seat allocation method from D’Hondt to Modified Sainte-Laguë. The study documents clear psychological effects.
Lithistid sponges of the upper bathyal of Madeira, Selvagens and Canary Islands, with description of a new species ofIsabella
Authors: Carvalho F.C. , Pomponi S.A. , Xavier J.R.
Published: September 2014

Desma-bearing sponges, also known as lithistids or rock sponges, are a group typical of bathyal environments throughout tropical and warm-temperate regions. In this study the lithistids collected in the course of the Harbor Branch Oceanographic Institute eastern Atlantic 1991 campaign to Madeira, Selvagens and the Canary Islands were identified and assigned to eight species, representing eight genera and five families. Several constitute new records for these islands and one is a new species ofIsabella, a genus thus far only known from the Norfolk Ridge in New Caledonia, that is here described and illustrated. Some considerations are made in regards to the diversity and biogeographical affinities of the Atlanto-Mediterranean lithistid sponges.
‘Aucun prophète n'est propice dans sa propre patrie’ : la péricope de Nazareth
Authors: Moret Jean-René
Published: September 2014

Jesus' preaching at Nazareth in Luke 4 is usually read as the rejection of a prophet because he is too familiar to his home town, as is the case in Matthew and Mark. This reading puts Luke's text under heavy strains that make it seem inconsistent or misconstrued. We propose that it should rather be read as Jesus refusing to be used for his home country's benefits, based upon a reconsideration of Luke 4.24 in the light of Luke 4.19. We then put this reading in synoptical perspective.
Control of a two-wheel robotic vehicle for personal transportation
Authors: Kim H. W. , Jung S.
Published: September 2014

Recently, small-sized compact electric vehicles have been in demand for short-distance travel in urban areas, although battery charging in electric vehicles present in the market is still problematic. Borrowing from the concept of a mobile inverted pendulum system, in this paper, a two-wheel robotic vehicle system is implemented and controlled as the future personal transportation device called the TransBOT. The TransBOT has two driving modes: a regular vehicle mode, where stable contact on the ground is maintained by two wheels and two casters, and the balancing mode, which maintains the stable posture with two wheels on the ground. The two-wheel balancing mechanism can be used as a transportation vehicle in narrow and busy urban areas. Gain scheduling control methods based on linear controllers are used for different drivers. In addition, desired balancing angles are specified for the different sizes of drivers in order to have a stable balancing control performance. These desired balancing angle values have been found by empirical studies. Experimental studies with drivers of different weights, as well as indoor and outdoor driving tasks, were conducted to ensure the feasibility of TransBOT.
A new method for evaluating kinesthetic acuity during haptic interaction
Authors: De Santis D. , Zenzeri J. , Casadio M. , Masia L. , Morasso P. , Squeri V.
Published: September 2014

Although proprioceptive impairment is likely to affect in a significant manner the capacity of stroke patients to recover functionality of upper limb, clinical assessment methods currently in use are rather crude, with a low level of reliability and a limited capacity to discriminate the relevant features of this severe deficit. In the present paper, we describe a new technique based on robot technology, with the goal of providing a reliable, accurate, and quantitative evaluation of kinesthetic acuity, which can be integrated in robot therapy. The proposed technique, based on a pulsed assistance paradigm, has been evaluated on a group of healthy subjects.
Gain tuning of position domain PID control using particle swarm optimization
Authors: Pano V. , Ouyang P. R.
Published: September 2014

Particle swarm optimization (PSO) is a heuristic optimization algorithm and is commonly used for the tuning of PD/PID-type controllers. In this paper, PSO is applied for control gain tuning of a position domain PID controller in order to improve contour tracking performances of linear and nonlinear contours for a serial multi-DOF robotic manipulator. A new fitness function is proposed for gain tuning based on the statistics of the contour error, and pre-existed fitness functions are also applied for the optimization process, followed by some comparison studies. The PSO tuning technique demonstrated the same effectiveness in position domain controllers as in time domain controllers with the results being quite satisfying with low contour errors for both linear and nonlinear contours, and the proposed fitness function is proved to be on par with the pre-existed fitness functions.
Gravitational search algorithm for synthesis of selectively thinned concentric ring array antenna with minimum sidelobe level and with fixed and variable first null beamwidth
Authors: Chatterjee Anirban , Mahanti Gautam Kumar , Pathak Narendra Nath
Published: September 2014

Thinning a large concentric ring array by an evolutionary algorithm needs to handle a large amount of variables. The computational time to find out the optimum elements set increases with the increase of array size. Moreover, thinning significantly reduces the directivity of the array. In this paper, the authors propose a pattern synthesis method to reduce the peak sidelobe level (peak SLL) while keeping first null beamwidth (FNBW) of the array fixed by thinning the outermost rings of the array based on Gravitational Search Algorithm (GSA). Two different cases have been studied. In the first case only the outermost ring of the array is thinned and in the second case the two outermost rings are thinned. The FNBW of the optimized array is kept equal to or less than that of a fully populated, uniformly excited and 0.5 λ spaced concentric ring array of same number of elements and rings. The directivity of the optimized array for the above two cases are compared with an array optimized by thinning all the rings, while keeping the design criteria same as the above two cases. The optimized array by thinning the outermost rings gives higher directivity over the optimized array by thinning all the rings. Time required for computing the optimum elements state for the above two cases using GSA are shown lesser compared to the optimized array by thinning all the rings using the same algorithm. The peak SLL and the FNBW of the optimized array for the above two cases are also compared with the optimized array by thinning all the rings.
Aetiological stratification as a conceptual framework for gene-by-environment interaction research in psychiatry
Authors: van Winkel Ruud
Published: September 2014

It has been argued that gene-by-environment interactions (G × E) research is unlikely to progress knowledge about psychiatric disorders, in contrast to genome-wide association (GWA) studies. However, G × E approaches are not alternatives for gene-hunting but a way to identify genetic and biological mechanisms within subgroups of patients exposed to a similar aetiological (environmental) factor via a process of ‘aetiological stratification’. This is important as diagnostic categories targeted by GWA studies are inherently heterogeneous and lack biological validity. Aetiological stratification builds on examining possible phenotypic and/or molecular specificity associated with exposure to the environmental factor across multiple potentially relevant disorders, combined with efforts to identify an underlying biological substrate. G × E hypotheses within this framework investigate (1) which genes influence the degree to which individuals develop identified biological alterations that link environmental exposure to specific phenotypic and/or molecular characteristics within or across psychiatric disorders and (2) which genes are implicated in determining the development of psychopathology once this biological alteration has been brought about. As gene-hunting is not a goal in itself, the examination of pathway and/or polygenic risk scores may be more informative than the examination of individual markers, at the same time reducing multiple testing and the associated risk of spurious findings.
A Critical Role for Immune System Response in Mediating Anti‐influenza Drug Synergies Assessed by Mechanistic Modeling
Authors: Li Z , Zhou H , Lu Y , Colatsky T
Published: September 2014

Influenza virus infections represent a serious public health problem worldwide, due to the rapid emergence of drug resistance. One strategy to improve treatment efficacy is to combine drugs that act synergistically. Potentially useful drug combinations are typically identified through empirical testing using in vitro and animal models, but the complexity of the clinical situation warrants the use of more careful analysis and sophisticated approaches. To explore new approaches, we constructed a mechanistic model representing the interaction of antiviral drugs with the viral replication pathway and human immune responses. Simulation of combination therapy using oseltamivir and amantadine predicted significant therapeutic synergy only when immune response was included, in agreement with previous in vitro and in vivo studies using amantadine‐resistant strains. Our model can be used to predict the optimal doses for combination therapy, and also raises questions about current drug evaluation methods that do not account for immune system interactions.

CPT Pharmacometrics Syst. Pharmacol. (2014) 3, e135; doi:10.1038/psp.2014.32; published online 10 September 2014
Anorectal autotransplantation in a canine model: the first successful report in the short term with the non-laparotomy approach
Authors: Araki Jun , Nishizawa Yuji , Nakamura Tatsuo , Sato Tomoyuki , Naito Munekazu , Hatayama Naoyuki , Hirai Shuichi , Tashiro Kensuke , Koshima Isao
Published: September 2014

Colostomy is conventional treatment for anal dysfunction. Recently, a few trials of anorectal transplantation in animals have been published as a potential alternative to colostomies; however, further development of this technique is required. In this study, we utilized a canine model of anorectal transplantation, evaluated the patency of our microsurgical anastomoses and assessed the perfusion of the transplanted anus. We designed a canine anorectal transplantation model, wherein anorectal autotransplantation was performed in four healthy beagle dogs by anastomoses of the lower rectum, the bilateral pudendal arteries (PAs) and veins (PVs) and pudendal nerves (PNs). Postoperative graft perfusion was measured by indocyanine green (ICG) angiography and histological examination. The length of the anorectal graft including perianal skin, anal sphincter muscle, bilateral PAs, PVs and PNs was 4.9 ± 0.3 cm. All diameters of the PAs, PVs and PNs were large enough to be microscopically anastomosed. Both ICG angiography and histological examination demonstrated good graft perfusion, except for one case that lead to venous congestion. These results show that anastomosis of the bilateral PAs, PVs and PNs is required for anorectal transplantation. This is the first successful report of canine anorectal autotransplantation.
Experimental and theoretical evidence that electrostatics governs easy-axis orientation in DyIII-based molecular chains
Authors: Jung Julie , Le Natur François , Cador Olivier , Pointillart Fabrice , Calvez Guillaume , Daiguebonne Carole , Guillou Olivier , Guizouarn Thierry , Le Guennic Boris , Bernot Kevin
Published: September 2014

Magnetic slow relaxation is observed in a DyIII-based molecular chain and the magnetic easy-axis is determined via single-crystal magnetometry and ab initio calculations.
Concentration-dependent luminescence of ionic liquids containing trialkyl(pentafluorocyclotriphosphazenyl)ammonium moieties
Authors: Shiragami Tsutomu , Nakamura Yoko , Matsumoto Jin , Otsuki Masashi , Yasuda Masahide
Published: September 2014

The blue luminescence stemming from aggregates of RT-ionic liquid (2) having cyclotriphosphazenyl group as a cationic part is observed in methanol solution at 360 nm excitation.
A strong steric hindrance effect on ground state, excited state, and charge separated state properties of a CuI-diimine complex captured by X-ray transient absorption spectroscopy
Authors: Huang J. , Mara M. W. , Stickrath A. B. , Kokhan O. , Harpham M. R. , Haldrup K. , Shelby M. L. , Zhang X. , Ruppert R. , Sauvage J.-P. , Chen L. X.
Published: September 2014

Steady-state and transient structures of a copper diimine dye sensitizer on TiO2 nanoparticles undergoing photoinduced interfacial electron transfer are determined.
Reversible CO exchange at platinum(0). An example of similar complex properties produced by ligands with very different stereoelectronic characteristics
Authors: Forrest Sebastian J. K. , Pringle Paul G. , Sparkes Hazel A. , Wass Duncan F.
Published: September 2014

The electron-rich, bulky diphosphines La and Lb support three- and four-coordinate carbonylplatinum(0) complexes, as does the electron-poor diphosphine Lf.
Effects of long-term land use change on dissolved carbon characteristics in the permafrost streams of northeast China
Authors: Guo Yuedong , Song Changchun , Wan Zhongmei , Tan Wenwen , Lu Yongzheng , Qiao Tianhua
Published: September 2014

Permafrost soils act as large sinks of organic carbon but are highly sensitive to interference such as changes in land use, which can greatly influence dissolved carbon loads in streams.
Quantitative analysis of resistance to natural killer attacks reveals stepwise killing kinetics
Authors: Choi Paul J. , Mitchison Timothy J.
Published: September 2014

Imaging survival dynamics of individual cancer cells undergoing attacks from immune cells reveals a finite, multi-step mechanism for immune resistance.
Morphology control and multicolor-tunable luminescence of YOF:Ln3+ (Ln = Eu, Tb, Dy, Tm) nano-/microcrystals
Authors: Li Ruiqing , Li Linlin , Zi Wenwen , Zhang Junjun , Liu Lu , Zou Lianchun , Gan Shucai
Published: September 2014

Multiform YOF nano-/microcrystals have been synthesized and multicolor-tunable luminescence of YOF:Ln3+ (Ln = Eu, Tb, Dy, Tm, Tm/Dy) has been investigated.
Natural product and natural product derived drugs in clinical trials
Authors: Butler Mark S. , Robertson Avril A. B. , Cooper Matthew A.
Published: September 2014

The 25 Natural Product (NP)-derived drugs launched since 2008 and the 100 NP-derived compounds and 33 Antibody Drug Conjugates (ADCs) in clinical trials or in registration at the end of 2013 are reviewed.
Addition of carbon nucleophiles to hemiaminals promoted by a Lewis acidic polyoxotungstate
Authors: Xuan Wen-Jing , Botuha Candice , Hasenknopf Bernold , Thorimbert Serge
Published: September 2014

Organic soluble TBA5K[α1Hf(H2O)4P2W17O61] (POM/Hf) catalyzes the addition of pronucleophiles (silylenolethers, diketones, ketoesters, allylsilane) to unactivated hemiaminals.
Palladium(ii)-catalyzed direct conversion of allyl arenes into alkenyl nitriles
Authors: Shu Zhibin , Zhou Yujing , Zhang Yan , Wang Jianbo
Published: September 2014

Alkenyl nitriles can be easily accessed by Pd(ii)-catalyzed reaction of allyl arenes with tert-butyl nitrite as both the nitrogen source and oxidant and N-hydroxyphthalimide as the co-catalyst.
Construction and application of β-(3-N-oxalyl-l-2,3-diaminopropanoic acid) biosensor based on carboxylated multiwalled carbon nanotubes/gold nanoparticles/chitosan/Au electrode
Authors: Batra Bhawna , Pundir C. S.
Published: September 2014

We describe the construction of a new enzyme electrode (GluOx/cMWCNT/AuNPs/CHIT/Au) and its application for the amperometric determination of β-ODAP (3-N-oxalyl-L-2,3-diaminopropanoic acid) in Lathyrus seeds.
Template confined synthesis of Cu- or Cu2O-doped SiO2aerogels from Cu(ii)-containing composites by in situ alcohothermal reduction
Authors: Xu Weiwei , Du Ai , Tang Jun , Yan Peng , Li Xiaoguang , Zhang Zhihua , Shen Jun , Zhou Bin
Published: September 2014

Cu2O- or Cu-contained silica composite aerogels were synthesized by anin situalcohothermal reduction method, and the microstructure evolution mechanism was systematically studied.
Green chemical approach: microwave assisted, titanium dioxide nanoparticles catalyzed, convenient and efficient C–C bond formation in the synthesis of highly functionalized quinolines and quinolinones
Authors: Ghouse Shaik Mohammed , Kumar Yadavalli Suneel , Jin Jong Sung , Kim Jong-Pil , Bae Jong Seong , Chung Eun Hyuk , Kim Do Yeon , Jang Eun Kyung , Nawaz Khan Fazlur-Rahman , Jeong Euh Duck
Published: September 2014

TiO2 nanoparticles was effectively applied in the microwave assisted synthesis of quinolines and quinolones.
Preparation and characterization of surface modified boron nitride epoxy composites with enhanced thermal conductivity
Authors: Hou Jun , Li Guohua , Yang Na , Qin Lili , Grami Maryam E. , Zhang Qingxin , Wang Nongyue , Qu Xiongwei
Published: September 2014

The fabricated surface modified boron nitride epoxy composites exhibit high thermal conductivity, superior thermal stability and good mechanical properties while retaining good electrical insulation properties.
An eco-friendly way to fire retardant flexible polyurethane foam: layer-by-layer assembly of fully bio-based substances
Authors: Wang Xin , Pan Ye-Tang , Wan Jin-Tao , Wang De-Yi
Published: September 2014

The objective of the present study is to develop fully renewable and environmentally benign techniques for improving the fire safety of flexible polyurethane foams (PUFs).
Design of multi-layered TiO2 nanotube/nanoparticle hybrid structure for enhanced efficiency in dye-sensitized solar cells
Authors: Liu Xiaolin , Guo Min , Lin Jia , Chen Xianfeng , Huang Haitao
Published: September 2014

A bi-layered TiO2 nanotube membrane possessing fast electron transport and light scattering is used in a photoanode of DSSCs.
Synthesis of α, β and γ-carbolines via Pd-mediated Csp2-H/N–H activation
Authors: Dhara Shubhendu , Singha Raju , Ahmed Atiur , Mandal Haridas , Ghosh Munmun , Nuree Yasin , Ray Jayanta K.
Published: September 2014

An efficient method for the synthesis of halo-carbolines has been developed via Pd-catalysed formation of C–N bonds through Csp2-H/N–H activation of 4-methyl-N-[2-(pyridine-3-yl)phenyl] benzenesulfonamide derivatives.
A new pH sensitive fluorescent and white light emissive material through controlled intermolecular charge transfer
Authors: Park Y. I. , Postupna O. , Zhugayevych A. , Shin H. , Park Y.-S. , Kim B. , Yen H.-J. , Cheruku P. , Martinez J. S. , Park J. W. , Tretiak S. , Wang H.-L.
Published: September 2014

Fabrication of a unique white light LED from a stimuli-responsive organic molecule is reported. Emission properties are dominated by the pH of the solution through intermolecular charge transfer.
A liquid contact line receding on a soft gel surface: dip-coating geometry investigation
Authors: Kajiya Tadashi , Brunet Philippe , Royon Laurent , Daerr Adrian , Receveur Mathieu , Limat Laurent
Published: September 2014

We studied the dynamics of a liquid contact line receding on a soft gel in a dip-coating geometry. Different regimes of contact line motions are interpreted by two characteristic frequencies.
Bridging and caging in mixed suspensions of microsphere and adsorptive microgel
Authors: Zhao Chuanzhuang , Yuan Guangcui , Han Charles C.
Published: September 2014

Gelation and glass transition in a mixed suspension of polystyrene (PS) microsphere and poly(N-isopropylacrylamide) (PNIPAM) microgel were studied as a function of the total colloid volume fraction and mixing ratio of these two components.
A simple and low-cost method for the preparation of self-supported TiO2–WO3 ceramic heterojunction wafers
Authors: Makwana Neel M. , Quesada-Cabrera Raul , Parkin Ivan P. , McMillan Paul F. , Mills Andrew , Darr Jawwad A.
Published: September 2014

Self-supported ceramic heterojunction wafers prepared by a simple, low-cost method, show efficient vectorial charge separation and increased photocatalytic rates.
A facile synthesis for hierarchical porous CeO2 nanobundles and their superior catalytic performance for CO oxidation
Authors: Rao Richuan , Yang Ming , Li Changshun , Dong Huaze , Fang Song , Zhang Aimin
Published: September 2014

Porous CeO2 nanobundles with hierarchical nanoarchitecture show much better catalytic activities for CO oxidation compared to CeO2 nanorods, nanowires and nanoparticles.
In situ polyaniline modified cathode material Li[Li0.2Mn0.54Ni0.13Co0.13]O2 with high rate capacity for lithium ion batteries
Authors: Xue Qingrui. , Li Jianling. , Xu Guofeng. , Zhou Hongwei. , Wang Xindong. , Kang Feiyu.
Published: September 2014

Compound modification by polyaniline coating and acid treatment is an ideal way to improve the electrochemical performance of Li[Li0.2Mn0.54Ni0.13Co0.13]O2.
Scaffold-based regeneration of skeletal tissues to meet clinical challenges
Authors: Li Jiao Jiao , Kaplan David L. , Zreiqat Hala
Published: September 2014

Scaffold-based tissue engineering strategies are being explored for the management and reconstruction of damaged or diseased skeletal tissues, the effective treatment of which has remained a significant global healthcare challenge.
Controlled release of lidocaine hydrochloride from polymerized drug-based deep-eutectic solvents
Authors: Sánchez-Leija R. J. , Pojman J. A. , Luna-Bárcenas G. , Mota-Morales J. D.
Published: September 2014

This work takes advantage of the transformation of lidocaine hydrochloride into deep-eutectic solvents (DESs) – ionic liquid analogues – to incorporate polymerizable counterparts into DESs, such that polymer–drug complexes are synthesized by free-radical frontal polymerization without the use of a solvent.
The ex vivo neurotoxic, myotoxic and cardiotoxic activity of cucurbituril-based macrocyclic drug delivery vehicles
Authors: Oun Rabbab , Floriano Rafael S. , Isaacs Lyle , Rowan Edward G. , Wheate Nial J.
Published: September 2014

The cucurbituril family of drug delivery vehicles have been examined for their tissue specific toxicity usingex vivomodels.
Short‐term expansion planning of radial electrical distribution systems using mixed‐integer linear programming
Authors: Gonçalves Rogério R. , Franco John F. , Rider Marcos J.
Published: September 2014

This study presents a mixed‐integer linear programming (MILP) model to solve the short‐term expansion planning problem of radial electrical distribution systems. The proposed model defines the construction of new circuits, the reconductoring of existing circuits, the allocation of capacitor banks (as well as the type and the number of units in operation) and the allocation of voltage regulators to minimise the total annualised investment and operation costs. In the proposed formulation, the steady‐state operation of the radial distribution system is mathematically modelled through linear expressions. The use of an MILP model guarantees convergence to optimality by using existing classical optimisation tools. The model was implemented in the mathematical modelling language AMPL and solved using the commercial solver CPLEX. A 54‐node test system and 201‐node real distribution system were used to demonstrate the accuracy of the mathematical model, as well as the efficiency of the proposed solution technique.
Dielectric properties of PMT-PT crystals
Authors: Palaimiene E. , Macutkevic J. , Banys J. , Kania A.
Published: September 2014

Results of broadband dielectric investigations of 0.94PbMg1/3Ta2/3O3–0.06PbTiO3 (0.94PMT-0.06PT or PMT-PT) crystals in wide temperature range from 100 K to 950 K are presented. Below 300 K the dielectric properties of crystals are governed by polar nanoregions dynamics. However, at higher temperatures (above 600 K) the electrical conductivity effects also become important. The electrical conductivity occurs presumably due the hopping of oxygen vacancies and demonstrates change in the activation energy close to 750 K. The change in the activation energy can be explained by increase of concentration of single ionized vacancies. No anomaly in the temperature dependence of the static dielectric permittivity was observed in wide temperature range from 213 K to 950 K and the dependence was successfully described by spherical random bonds random fields theory. Moreover, two different contributions were successfully separated in the distributions of relaxation times in PMT-PT crystals. These contributions were attributed to different polar nanoregions dynamics. Moreover, the different freezing temperatures values were obtained for most probable and longest relaxation times, which was explained with an idea of continuous distribution of relaxation times broadening on cooling in relaxors. The critical remarks about the Vogel-Fulcher law application for relaxors are addressed in the paper.
Theoretical studies of strongly correlated rare-earth intermetallics RIn3 and RSn3 (R = Sm, Eu, and Gd)
Authors: Shafiq M. , Ahmad Iftikhar , Jalali Asadabadi S.
Published: September 2014

In this paper, the structural, elastic, and electronic properties of RIn3 and RSn3 (R = Sm, Eu, Gd) compounds have been investigated using the full potential linearized augmented plane wave plus local orbital method within the density functional theory. The structural properties are investigated using the LDA, GGA, and the band correlated LDA+U and GGA+U schemes. The lattice parameters are in good agreement with the available experimental results and the divalent state of Eu is also verified. The spin-orbit coupling is included in order to predict the correct electronic properties and splitting of 4f states of the rare earth elements is also incorporated. We calculated Bulk modulus, shear modulus, Young's modulus, anisotropic ratio, Kleinman parameters, Poisson's ratio, Lame's co-efficient, sound velocities for shear and longitudinal waves, and Debye temperature. We also predict the Cauchy pressure and B/G ratio in order to explore the ductile and brittle behaviors of these compounds.
Room temperature multiferroic properties of (Fex, Sr1−x)TiO3 thin films
Authors: Kim Kyoung-Tae , Kim Cheolbok , Fang Sheng-Po , Yoon Yong-Kyu
Published: September 2014

This letter reports the structural, dielectric, ferroelectric, and magnetic properties of Fe substituted SrTiO3 thin films in room temperature. The structural data obtained from x-ray diffraction indicates that (Fex,Sr1−x)TiO3, the so called FST, transforms from pseudocubic to tetragonal structures with increase of the Fe content in SrTiO3 thin films, featuring the ferroelectricity, while vibrating sample magnetometer measurements show magnetic hysteresis loops for the samples with low iron contents indicating their ferromagnetism. The characterized ferroelectricity and ferromagnetism confirms strong multiferroitism of the single phase FST thin films in room temperature. Also, an FST thin film metal-insulator-metal multiferroic capacitor has been fabricated and characterized in microwave frequencies between 10 MHz and 5 GHz. A capacitor based on Fe0.1Sr0.9TiO3 with a thickness of 260 nm shows a high electric tunability of 18.6% at 10 V and a maximum magnetodielectric value of 1.37% at 0.4 mT with a loss tangent of 0.021 at 1 GHz. This high tuning and low loss makes this material as a good candidate for frequency agile microwave devices such as tunable filters, phase shifters, and antennas.
Photo-induced oxidation and amorphization of trigonal tellurium: A means to engineer hybrid nanostructures and explore glass structure under spatial confinement
Authors: Vasileiadis Thomas , Yannopoulos Spyros N.
Published: September 2014

Controlled photo-induced oxidation and amorphization of elemental trigonal tellurium are achieved by laser irradiation at optical wavelengths. These processes are monitored in situ by time-resolved Raman scattering and ex situ by electron microscopies. Ultrathin TeO2 films form on Te surfaces, as a result of irradiation, with an interface layer of amorphous Te intervening between them. It is shown that irradiation, apart from enabling the controllable transformation of bulk Te to one-dimensional nanostructures, such as Te nanotubes and hybrid core-Te/sheath-TeO2 nanowires, causes also a series of light-driven (athermal) phase transitions involving the crystallization of the amorphous TeO2 layers and its transformation to a multiplicity of crystalline phases including the γ-, β-, and α-TeO2 crystalline phases. The kinetics of the above photo-induced processes is investigated by Raman scattering at various laser fluences revealing exponential and non-exponential kinetics at low and high fluence, respectively. In addition, the formation of ultrathin (less than 10 nm) layers of amorphous TeO2 offers the possibility to explore structural transitions in 2D glasses by observing changes in the short- and medium-range structural order induced by spatial confinement.
Probing optical band gaps at the nanoscale in NiFe2O4 and CoFe2O4 epitaxial films by high resolution electron energy loss spectroscopy
Authors: Dileep K. , Loukya B. , Pachauri N. , Gupta A. , Datta R.
Published: September 2014

Nanoscale optical band gap variations in epitaxial thin films of two different spinel ferrites, i.e., NiFe2O4 (NFO) and CoFe2O4 (CFO), have been investigated by spatially resolved high resolution electron energy loss spectroscopy. Experimentally, both NFO and CFO show indirect/direct band gaps around 1.52 eV/2.74 and 2.3 eV, and 1.3 eV/2.31 eV, respectively, for the ideal inverse spinel configuration with considerable standard deviation in the band gap values for CFO due to various levels of deviation from the ideal inverse spinel structure. Direct probing of the regions in both the systems with tetrahedral A site cation vacancy, which is distinct from the ideal inverse spinel configuration, shows significantly smaller band gap values. The experimental results are supported by the density functional theory based modified Becke-Johnson exchange correlation potential calculated band gap values for the different cation configurations.
Experimental evidence of exciton-plasmon coupling in densely packed dye doped core-shell nanoparticles obtained via microfluidic technique
Authors: De Luca A. , Iazzolino A. , Salmon J.-B. , Leng J. , Ravaine S. , Grigorenko A. N. , Strangi G.
Published: September 2014

The interplay between plasmons and excitons in bulk metamaterials are investigated by performing spectroscopic studies, including variable angle pump-probe ellipsometry. Gain functionalized gold nanoparticles have been densely packed through a microfluidic chip, representing a scalable process towards bulk metamaterials based on self-assembly approach. Chromophores placed at the hearth of plasmonic subunits ensure exciton-plasmon coupling to convey excitation energy to the quasi-static electric field of the plasmon states. The overall complex polarizability of the system, probed by variable angle spectroscopic ellipsometry, shows a significant modification under optical excitation, as demonstrated by the behavior of the ellipsometric angles Ψ and Δ as a function of suitable excitation fields. The plasmon resonances observed in densely packed gain functionalized core-shell gold nanoparticles represent a promising step to enable a wide range of electromagnetic properties and fascinating applications of plasmonic bulk systems for advanced optical materials.
Thermoelectric properties of AgSbTe2 from first-principles calculations
Authors: Rezaei Nafiseh , Hashemifar S. Javad , Akbarzadeh Hadi
Published: September 2014

The structural, electronic, and transport properties of AgSbTe2 are studied by using full-relativistic first-principles electronic structure calculation and semiclassical description of transport parameters. The results indicate that, within various exchange-correlation functionals, the cubic Fd3¯m and trigonal R3¯m structures of AgSbTe2 are more stable than two other considered structures. The computed Seebeck coefficients at different values of the band gap and carrier concentration are accurately compared with the available experimental data to speculate a band gap of about 0.1–0.35 eV for AgSbTe2 compound, in agreement with our calculated electronic structure within the hybrid HSE (Heyd-Scuseria-Ernzerhof) functional. By calculating the semiclassical Seebeck coefficient, electrical conductivity, and electronic part of thermal conductivity, we present the theoretical upper limit of the thermoelectric figure of merit of AgSbTe2 as a function of temperature and carrier concentration.
Planar fault energies of copper at large strain: A density functional theory study
Authors: Zhang J. Y. , Branicio P. S. , Srolovitz D. J.
Published: September 2014

We present density functional theory calculations of the extrinsic stacking fault energy γesf, twin fault energy γtf, and unstable stacking fault energy γusf of copper under large strains, up to ± 10%. The calculated values of γesf, γtf, and γusf for unstrained Cu are 41.8 mJ/m2, 20.2 mJ/m2, and 163.4 mJ/m2, respectively, in good agreement with experimental data and theoretical results. Four different types of strains are applied: (i) volumetric strain; (ii) uniaxial strain perpendicular to the fault plane; (iii) uniaxial strains parallel to the fault plane; and (iv) shear strains across the fault planes. We find that γesf, γtf, and γusf are strongly dependent on the magnitude and type of strain, challenging the common conception that they are constant material properties. The predicted strong strain dependencies provide useful insight into the deformation mechanisms of copper under high pressure and shock conditions and provide essential data to improve current Cu empirical potentials.