bluuebunny/crossref_metadata_2025 huggingface dataset:
Hierarchically Structured ZnO Nanorods as an Efficient Photoanode for Dye‐Sensitized Solar Cells
Authors: Peng Wenqin , Han Liyuan , Wang Zhengming
Published: May 2014

Hierarchical ZnO nanorods composed of interconnected nanoparticles, which were synthesized by controlling precursor concentrations in a solvothermally assisted process, were exploited as photoanodes in dye‐sensitized solar cells (DSCs). The as‐prepared hierarchical nanorods showed greatly enhanced light scattering compared to ZnO nanoparticles for boosting light harvesting while maintaining sufficient dye‐adsorption capability. The charge‐transfer characteristics were studied by electrochemical impedance measurements, and reduced electron recombination and longer electron lifetime were observed for the ZnO nanorods. Photovoltaic characterization demonstrated that DSCs utilizing the hierarchical nanorods significantly improved the overall conversion efficiency by 34 % compared to nanoparticle‐based DSCs.
The Use of Cobalt‐Mediated Cycloisomerisation of Ynedinitriles in the Synthesis of Pyridazinohelicenes
Authors: Chercheja Serghei , Klívar Jiří , Jančařík Andrej , Rybáček Jiří , Salzl Simon , Tarábek Ján , Pospíšil Lubomír , Vacek Chocholoušová Jana , Vacek Jaroslav , Pohl Radek , Císařová Ivana , Starý Ivo , Stará Irena G.
Published: May 2014

A cobalt‐mediated [2+2+2] cycloisomerisation of ynedinitriles to helical pyridazines in good to high yields was developed. The construction of the pyridazine nucleus from one alkyne and two nitrile units is proposed to follow either a conventional organometallic mechanism or to be triggered by a single‐electron transfer from a CoII species. Various [5]‐, [6]‐ and [7]helicene pyridazines were prepared.
Solid‐State Dynamics of Uranyl Polyoxometalates
Authors: Alam Todd M. , Liao Zuolei , Zakharov Lev N. , Nyman May
Published: May 2014

Understanding fundamental uranyl polyoxometalate (POM) chemistry in solution and the solid state is the first step to defining its future role in the development of new actinide materials and separation processes that are vital to every step of the nuclear fuel cycle. Many solid‐state geometries of uranyl POMs have been described, but we are only beginning to understand their chemical behavior, which thus far includes the role of templates in their self‐assembly, and the dynamics of encapsulated species in solution. This study provides unprecedented detail into the exchange dynamics of the encapsulated species in the solid state through Magic Angle Spinning Nuclear Magnetic Resonance (MAS NMR) spectroscopy. Although it was previously recognized that capsule‐like molybdate and uranyl POMs exchange encapsulated species when dissolved in water, analogous exchange in the solid state has not been documented, or even considered. Here, we observe the extremely high rate of transport of Li+ and aqua species across the uranyl shell in the solid state, a process that is affected by both temperature and pore blocking by larger species. These results highlight the untapped potential of emergent f‐block element materials and vesicle‐like POMs.
Planar‐Chiral Through‐Space Conjugated Oligomers: Synthesis and Characterization of Chiroptical Properties
Authors: Morisaki Yasuhiro , Inoshita Kenichi , Chujo Yoshiki
Published: May 2014

Optically active through‐space conjugated oligomers, namely, a dimer, trimer, tetramer, and cyclic trimer, consisting of a planar‐chiral [2.2]paracyclophane skeleton were synthesized. In the ground state, observed similarities in the chiroptical properties of the oligomers were attributed to the equivalent orientations of two adjacent chromophores. In the excited state, the oligomers were folded into a form analogous to a one‐handed helix by photoexcitation. All the compounds in dispersed solution exhibited intense circularly polarized luminescence with relatively large anisotropy factors on the order of 10−3.
From Metal–Organic Framework to Intrinsically Fluorescent Carbon Nanodots
Authors: Amali Arlin Jose , Hoshino Hideto , Wu Chun , Ando Masanori , Xu Qiang
Published: May 2014

Highly photoluminescent carbon nanodots (CNDs) were synthesized for the first time from metal–organic framework (MOF, ZIF‐8) nanoparticles. Coupled with fluorescence and non‐toxic characteristics, these carbon nanodots could potentially be used in biosafe color patterning.
Urea‐Induced Acid Amplification: A New Approach for Metal‐Free Insertion Chemistry
Authors: Couch Erica D. , Auvil Tyler J. , Mattson Anita E.
Published: May 2014

The enhanced catalytic activity of difluoroboronate ureas proved to be essential as an acidity amplifier to promote metal‐free OH and SH insertion reactions of α‐aryldiazoacetates in high yield. This methodology was found to be generally applicable to a broad substrate scope and presents a conceptually new approach for organocatalytic diazo insertion reactions. Mechanistic investigations suggest that the reaction pathway involves a urea‐induced protonation of the α‐aryldiazoester.
Multiscale Modeling of Solid Oxide Fuel Cell Systems
Authors: Zakrzewska Barbara , Pianko‐Oprych Paulina , Jaworski Zdzislaw
Published: May 2014

A concept of multiscale modeling of a tubular solid oxide fuel cell (SOFC) system was presented. The major features of two basic modeling tools were described and explained by auxiliary examples: a process simulator for the system level at macro scale and computational fluid dynamics tools used in cell and stack‐level modeling. Guidelines for the integration of the two numerical tools were presented along with the implementation of merging a SOFC CFD model with an ASPEN Plus one by means of an in‐house interfacing software.
Calibration of Dynamic Models through Adaptive Optimal Input Designs
Authors: Barz Tilman , Wozny Günter
Published: May 2014

Die optimale Versuchsplanung ist ein methodischer Ansatz zur Kalibrierung und Validierung von Modellen mit experimentellen Daten. Sie besitzt ein großes Potenzial zur Reduktion des experimentellen Aufwands und zur Maximierung der Modellgenauigkeit. In dieser Arbeit werden jüngste Entwicklungen zur Verbesserung der Adaptivität der Methodik diskutiert, die den Anwendungsbereich stark erweitern. Neben illustrativen Beispielen wird die experimentelle Anwendung der voll‐automatisierten Echtzeit‐Kalibrierung eines Chromatographiemodells präsentiert.
Retinofugal projections in the mouse
Authors: Morin Lawrence P. , Studholme Keith M.
Published: May 2014

The laboratory mouse is increasingly a subject for visual system investigation, but there has been no comprehensive evaluation of this species' visual projections. Here, projections were visualized and mapped following intraocular injection of cholera toxin B subunit. Tissue was processed using standard procedures applied to 30 μm free‐floating sections with diaminobenzidine as the chromogen. The mouse retina projects to ∼46 brain regions, including 14 not previously described in this species. These include two amygdaloid nuclei, the horizontal limb of the diagonal band, the paraventricular hypothalamic nucleus, several visual thalamic nuclei, the paranigral nucleus, several pretectal nuclei, and the dorsal cortex of the inferior colliculus. Dense retinal patches were also observed in a narrow portion of the ipsilateral intermediate layer of the superior colliculus. The superior fasciculus of the accessory optic tract, which innervates the medial terminal nucleus, was also determined to be a terminal zone throughout its length. The results are compared with previous descriptions of projections from mouse intrinsically photoreceptive retinal ganglion cells, and with data from the hamster, Nile grass rat, and laboratory rat. The retinal projection patterns are similar in all four species, although there are many differences with respect to the details. The specific visual functions of most retinorecipient areas are unknown, but there is substantial convergence of retinal projections onto regions concerned with olfaction and audition. J. Comp. Neurol. 522:3733–3753, 2014. © 2014 Wiley Periodicals, Inc.
Modelling of chromatic contrast for retrieval of wallpaper images
Authors: Gao Xiaohong W. , Wang Yuanlei , Qian Yu , Gao Alice
Published: May 2014

Colour remains one of the key factors in presenting an object and, consequently, has been widely applied in retrieval of images based on their visual contents. However, a colour appearance changes with the change of viewing surroundings, the phenomenon that has not been paid attention yet while performing colour‐based image retrieval. To comprehend this effect, in this article, a chromatic contrast model, CAMcc, is developed for the application of retrieval of colour intensive images, cementing the gap that most of existing colour models lack to fill by taking simultaneous colour contrast into account. Subsequently, the model is applied to the retrieval task on a collection of museum wallpapers of colour‐rich images. In comparison with current popular colour models including CIECAM02, HSI and RGB, with respect to both foreground and background colours, CAMcc appears to outperform the others with retrieved results being closer to query images. In addition, CAMcc focuses more on foreground colours, especially by maintaining the balance between both foreground and background colours, while the rest of existing models take on dominant colours that are perceived the most, usually background tones. Significantly, the contribution of the investigation lies in not only the improvement of the accuracy of colour‐based image retrieval but also the development of colour contrast model that warrants an important place in colour and computer vision theory, leading to deciphering the insight of this age‐old topic of chromatic contrast in colour science. © 2014 Wiley Periodicals, Inc. Col Res Appl, 40, 361–373, 2015
Synthesis of TeO2 nanowires via a facile thermal oxidation method
Authors: Yan Chang Zeng , Kang Dae Joon
Published: May 2014

TeO2 is of considerable interest for piezoelectric, ther‐moelectric, acousto‐optic and nonlinear optical applica‐tions. In this work, we report a facile synthetic tech‐nique for obtaining high‐quality TeO2 nanowires (NWs) via a thermal oxidation of Te NWs in a large quantity. The synthetic conditions were systematically optimized to transform from Te NWs to TeO2 NWs using a furnace oven. The optimal conditions for the formation of high‐quality TeO2 NWs were found to be 300 °C for 1 hr in an oven furnace. The NWs were characterized using X‐ray diffraction, field‐emission scanning electron mi‐croscopy, high resolution transmission electron micros‐copy and Raman scattering. Diffuse reflectance spec‐trum was also used to determine the band gap (3.78 eV) of synthesized TeO2 NWs.
Relative angular precision in electron backscatter diffraction: A comparison between cross correlation and Hough transform based analysis
Authors: Chekhonin Paul , Engelmann Jan , Oertel Carl‐Georg , Holzapfel Bernhard , Skrotzki Werner
Published: May 2014

In the present study the relative angular resolution of an electron backscatter diffraction system based on Hough transform analysis has been determined with a silicon single crystal wafer. The resolution is found to be better than 0.1° and can be easily improved by repetition of measurements. A test measurement on a BaFe2As2 thin film, where disorientations of 0.1° and less are present, was performed using the cross correlation electron backscatter diffraction technique. The same measurement is evaluated with the Hough transform technique. Comparing both techniques give evidence of a relative resolution of better than 0.1°. However, in specimen areas with strain inhomogeneities a deviation along one rotation axis can be observed.
Puberty and the manifestations of loss of control eating in children and adolescents
Authors: Vannucci Anna , Tanofsky‐Kraff Marian , Ranzenhofer Lisa M. , Kelly Nichole R. , Hannallah Louise M. , Pickworth C. Katie , Grygorenko Mariya V. , Brady Sheila M. , Condarco Tania A. , Kozlosky Merel , Demidowich Andrew P. , Yanovski Susan Z. , Shomaker Lauren B. , Yanovski Jack A.
Published: May 2014

Objective

We investigated the manifestations of pediatric loss of control (LOC) eating at different stages of pubertal development.

Method

Participants were a nonclinical sample of 468 youth (8–17 years). Physical examination determined pubertal stage. LOC eating and disordered eating attitudes were assessed with the Eating Disorder Examination. In a randomized crossover design, a subset (n = 244) ate ad libitum from two test meals designed to capture normal and LOC eating.

Results

There were no differences in the prevalence rates or frequency of reported LOC eating episodes across pubertal stages (ps ≥ 0.50). There were, however, puberty by LOC eating interactions in disordered eating attitudes and palatable food consumption (ps ≤ .05), even after adjusting for age and body composition. LOC eating was associated with elevated global disordered eating attitudes, weight concern, and shape concern in post‐pubertal youth (ps ≤ .001), but not pre‐pubertal youth (ps ≥ .49). In late‐puberty, youth with LOC eating consumed less energy from protein (p < .001) and more from carbohydrate (p = .003) and snack‐type foods (p = .02) than those without LOC eating, whereas endorsement of LOC eating in pre‐ or early‐to‐mid‐puberty was not associated with differences in eating behavior (ps ≥ 0.20).

Conclusions

Findings suggest that puberty may be a critical risk period, when LOC eating behaviors in boys and girls may become accompanied by greater weight and shape concerns and more obesogenic food consumption patterns. Interventions for LOC eating during pre‐puberty should be evaluated to determine if they are particularly beneficial for the prevention of exacerbated eating disorder psychopathology and adverse weight outcomes. © 2014 Wiley Periodicals, Inc. (Int J Eat Disord 2014; 47:738–747)
Association between eating disorders and migraine may be explained by major depression
Authors: Mustelin Linda , Raevuori Anu , Kaprio Jaakko , Keski‐Rahkonen Anna
Published: May 2014

Objective

The association between eating disorders and migraine remains unclear.

Method

We identified women with lifetime diagnoses of anorexia nervosa (AN) (N = 55) and bulimia nervosa (BN) (N = 60) and their co‐twins from the FinnTwin16 cohort born in 1975–1979 (N = 2,825 women). Eating disorder and major depressive disorder (MDD) diagnoses were obtained from clinical interviews and data on migraine by self‐report questionnaire. The women with eating disorders were compared with their unaffected co‐twins and with unrelated women from the same birth cohorts.

Results

The prevalence of migraine was 12% in the general female population, but 22% for both AN and BN (odds ratio 2.0, p = .04). The prevalence of MDD was high in women with an eating disorder (42%). MDD was strongly associated with migraine (odds ratio 3.0, p < .0001) and explained the association between eating disorders and migraine. The highest migraine prevalence (36%) was found in women with both an eating disorder and MDD. Pairwise twin analyses also supported the clustering of migraine, MDD and eating disorders.

Discussion

Women with a lifetime diagnosis of an eating disorder were twice as likely to report a history of migraine as unrelated women from the same cohort; this relationship was explained by comorbid MDD. © 2014 Wiley Periodicals, Inc. (Int J Eat Disord 2014; 47:884–887)
Operator bias in software‐aided bat call identification
Authors: Fritsch Georg , Bruckner Alexander
Published: May 2014

Software‐aided identification facilitates the handling of large sets of bat call recordings, which is particularly useful in extensive acoustic surveys with several collaborators. Species lists are generated by “objective” automated classification. Subsequent validation consists of removing any species not believed to be present. So far, very little is known about the identification bias introduced by individual validation of operators with varying degrees of experience. Effects on the quality of the resulting data may be considerable, especially for bat species that are difficult to identify acoustically. Using the batcorder system as an example, we compared validation results from 21 volunteer operators with 1–26 years of experience of working on bats. All of them validated identical recordings of bats from eastern Austria. The final outcomes were individual validated lists of plausible species. A questionnaire was used to enquire about individual experience and validation procedures. In the course of species validation, the operators reduced the software's estimate of species richness. The most experienced operators accepted the smallest percentage of species from the software's output and validated conservatively with low interoperator variability. Operators with intermediate experience accepted the largest percentage, with larger variability. Sixty‐six percent of the operators, mainly with intermediate and low levels of experience, reintroduced species to their validated lists which had been identified by the automated classification, but were finally excluded from the unvalidated lists. These were, in many cases, rare and infrequently recorded species. The average dissimilarity of the validated species lists dropped with increasing numbers of recordings, tending toward a level of ˜20%. Our results suggest that the operators succeeded in removing false positives and that they detected species that had been wrongly excluded during automated classification. Thus, manual validation of the software's unvalidated output is indispensable for reasonable results. However, although application seems easy, software‐aided bat call identification requires an advanced level of operator experience. Identification bias during validation is a major issue, particularly in studies with more than one participant. Measures should be taken to standardize the validation process and harmonize the results of different operators.
Elevational variation in density dependence in a subtropical forest
Authors: Xu Meng , Yu Shixiao
Published: May 2014

Density‐dependent mortality has been recognized as an important mechanism that underpins tree species diversity, especially in tropical forests. However, few studies have attempted to explore how density dependence varies with spatial scale and even fewer have attempted to identify why there is scale‐dependent differentiation. In this study, we explore the elevational variation in density dependence. Three 1‐ha permanent plots were established at low and high elevations in the Heishiding subtropical forest, southern China. Using data from 1200 1 m2 seedling quadrats, comprising of 200 1 m2 quadrats located in each 1‐ha plot, we examined the variation in density dependence between elevations using a generalized linear mixed model with crossed random effects. A greenhouse experiment also investigated the potential effects of the soil biota on density‐dependent differentiation. Our results demonstrated that density‐dependent seedling mortality can vary between elevations in subtropical forests. Species found at a lower elevation suffered stronger negative density dependence than those found at a higher elevation. The greenhouse experiment indicated that two species that commonly occur at both elevations suffered more from soilborne pathogens during seed germination and seedling growth when they grew at the lower elevation, which implied that soil pathogens may play a crucial role in density‐dependent spatial variation.
Distinguishing wild and farm‐raised freshwater fish through fatty acid composition: Application of statistical tools
Authors: Carbonera Fabiana , Santos Hevelyse Munise Celestino dos , Montanher Paula Fernandes , de Almeida Schneider Vanessa Vivian , Lopes Ana Paula , Visentainer Jesuí Vergílio
Published: May 2014

Brazil stands out on the world stage as having the greatest variety of freshwater fish and great aquaculture potential due to a number of factors favorable to fish production. In order to classify fish according to their fatty acid composition and origin (wild vs. farm‐raised), a survey of data from native Brazilian freshwater fish was conducted. These data were subjected to statistical analyses (principal component analysis [PCA], cluster analysis, as well as ordination by nonmetric multidimensional scaling [NMDS]), where wild and farm‐raised fish separated into distinct groups. A combination of higher total HUFA, higher n‐3, lower n‐6, and lower n‐6/n‐3 can be used as qualifying factors of wild fish and the association of lower n‐3, higher total DUFA, higher n‐6, and higher n‐6/n‐3 ratio can qualify the farm‐raised fish.

Brazil stands out on the world stage as having the greatest variety of freshwater fish and great aquaculture potential due to a number of factors favorable to fish production. In order to classify fish according to their fatty acid composition and origin (wild vs. farm‐raised), a survey of data from native Brazilian freshwater fish was conducted.
Metal ions can affect the composition and production of sophorolipids by Wickerhamiella domercqiae Y2A CGMCC 3798
Authors: Chen Jing , Zhang Hongrui , Liu Yue , Fu Shengmi , Liu Xinli
Published: May 2014

Different metal ions were added as supplements to culture media to study sophorolipids production by Wickerhamiella domercqiae Y2A CGMCC 3798. The fermentation media were supplemented with different metal ions in the form of sulfate. A maximum yield 149.90 g/L was achieved in the presence of Cu2+ ions. The production of lactonic sophorolipids was favored when culture media wad supplied with Mg2+ ions, while Fe2+ ions were the optimal ions for acidic sophorolipids production. TLC, HPLC, and LC–MS analyses were used for further investigation on the sophorolipids production. The results of SDS–PAGE and enzymatic transformation of acidic sophorolipids showed differential expression of extracellular proteins of W. domercqiae Y2A CGMCC 3798 in presence of Mg2+ or Fe2+. Overall the results indicated potential selective production of different sophorolipids based on selected metal ions in culture media.

Practical applications: During the fermentation process of sophorolipids, L‐SLs and A‐SLs were produced selectively by adding Mg2+ and Fe2+into fermentation media, respectively.

Sophorolipid composition and production are different produced by Wickerhamiella domercqiae Y2A CGMCC 3798 cultured with Mg2+ (a) and Fe2+ (b), respectively by HPLC analysis.
Differential sensitization of silent nociceptors to low pH stimulation by prostaglandin E2 in human volunteers
Authors: Namer B. , Schick M. , Kleggetveit I.P. , Ørstavik K. , Schmidt R. , Jorum E. , Torebjörk E. , Handwerker H. , Schmelz M.
Published: May 2014

Background

Inflammatory mediators activate and sensitize nociceptors. Tissue acidosis with low pH of 5.5 often accompanies inflammation and could enhance inflammatory pain and sensitization.

Methods

Action potentials from single mechano‐responsive (CM) and mechano‐insensitive (CMi) C‐nociceptors of cutaneous fascicles of the peroneal nerve in healthy volunteers were recorded by microneurography. Low pH solutions with and without prostaglandin E2 (PGE2) were injected twice (with an interval of approximately 5 min) into two spots of the receptive fields of C‐fibres. Heat thresholds of the C‐fibres were obtained before and after each injection.

Results

Injections of the low pH solutions immediately induced phasic responses in CM nociceptors, whereas CMi fibres responded after a delay of several seconds with a sustained response. More CMi fibres than CM fibres showed ongoing discharge after low pH injection, but the duration and intensity of the responses to the first low pH injection did not differ between them. Upon repetition, duration and intensity of the pH responses increased more than twofold in CMi fibres only. Furthermore, combined application of pH and PGE2 sensitized the response in CMi fibres only. In contrast, heat activation thresholds were sensitized by the combination of low pH and PGE2 in both fibre classes.

Conclusions

Our results confirm nociceptor class independent heat sensitization by PGE2 which is probably mediated by transient receptor potential vanilloid 1 phosphorylation. However, prolonged and increased pain responses in humans upon low pH/PGE2 stimulation appear to be primarily dependent on CMi fibres, whereas CM nociceptors appear crucial for phasic responses.
Care professionals' understanding of the new criminal offences created by the Mental Capacity Act 2005
Authors: Manthorpe Jill , Samsi Kritika
Published: May 2014

Objectives

Implemented in 2007, the Mental Capacity Act (MCA) 2005 codified decision‐making for adults unable to make decisions for themselves in England and Wales. Among other changes, two new offences of wilful neglect and ill‐treatment were created under Section 44. Our study explored how the MCA was being implemented in community‐based dementia care, focusing on frontline practice.

Method

Using qualitative longitudinal methodology, we interviewed 279 practitioners, in the London and South‐East area of England, two or three times over 3 years. We applied framework analysis to identify and delineate recurrent themes.

Results

Views of the new offences were positive overall, but understanding ranged from partial to non‐existent among some participants.

Conclusions

Clinicians may be increasingly called upon to provide advice on whether an alleged victim or perpetrator lacks decision‐making capacity in cases of suspected elder abuse. They need to be aware of the new criminal offences to ensure that people with dementia, among others, are not abused and that abusers are brought to account. Copyright © 2014 John Wiley & Sons, Ltd.
pH modulates the TGF‐β ligands binding to the receptors: a computational analysis
Authors: Nayeem Shahid M. , Deep Shashank
Published: May 2014

In spite of showing high sequence similarity and forming structurally similar ternary complex in vitro, the in vivo role of TGF‐β1 and TGF‐β3 ligands suggests against their functional redundancy and necessitates the importance for the study of the specificity of these ligands. A comparative computational analysis of binary and ternary complexes of these two ligands shows that anchor residues of ligand and receptor at TGF‐β:TβR2 interface are similar in both complexes. However, the potential anchor residues of TGF‐β at TGF‐β:TβR1 interface are different, Tyr50 and Lys51 in TGF‐β3 complex and Lys60 and Tyr6 in TGF‐β1 complex. Pro55 and Asp57 of TβRI may act as anchor residues in complexes of both ligands along with Ile54 for TGF‐β3 complex and Val61 for TGF‐β1 complex. Arg58 of TβR1 acts as a potential hot residue for TGF‐β3 ternary complex but not for TGF‐β1 ternary complex formation whereas Pro55 and Phe60 may act as hot residues for both complexes. The Delphi analysis of the pH dependence of the binding energy indicates that pH has a remarkable effect on the binding energy of TβR2 to the open form of TGF‐β3. Lowering of pH from 7 to 4 favors binding of the open form of TGF‐β3 to TβR2. Now, apart from the residues at pH 7, residues Arg25, Lys31 and Arg94 of TGF‐β3 and Asp118 and Glu119 of TβR2 also contribute significantly to the binding energy. Contrary to the binding energy of TβR2 to TGF‐β3/TGF‐β1, TβR1 shows appreciable pH dependence for its binding in ternary complex of TGF‐β3/TGF‐β1. In TGF‐β3 ternary complex, the TβR1 electrostatic interaction energy disfavors complex formation at pH 7 while it is favored at pH 4. Copyright © 2014 John Wiley & Sons, Ltd.
Insights into the binding specificity of wild type and mutated wheat germ agglutinin towards Neu5Acα(2‐3)Gal: a study by in silico mutations and molecular dynamics simulations
Authors: Parasuraman Ponnusamy , Murugan Veeramani , Selvin Jeyasigamani F. A. , Gromiha M. Michael , Fukui Kazuhiko , Veluraja Kasinadar
Published: May 2014

Wheat germ agglutinin (WGA) is a plant lectin, which specifically recognizes the sugars NeuNAc and GlcNAc. Mutated WGA with enhanced binding specificity can be used as biomarkers for cancer. In silico mutations are performed at the active site of WGA to enhance the binding specificity towards sialylglycans, and molecular dynamics simulations of 20 ns are carried out for wild type and mutated WGAs (WGA1, WGA2, and WGA3) in complex with sialylgalactose to examine the change in binding specificity. MD simulations reveal the change in binding specificity of wild type and mutated WGAs towards sialylgalactose and bound conformational flexibility of sialylgalactose. The mutated polar amino acid residues Asn114 (S114N), Lys118 (G118K), and Arg118 (G118R) make direct and water mediated hydrogen bonds and hydrophobic interactions with sialylgalactose. An analysis of possible hydrogen bonds, hydrophobic interactions, total pair wise interaction energy between active site residues and sialylgalactose and MM‐PBSA free energy calculation reveals the plausible binding modes and the role of water in stabilizing different binding modes. An interesting observation is that the binding specificity of mutated WGAs (cyborg lectin) towards sialylgalactose is found to be higher in double point mutation (WGA3). One of the substituted residues Arg118 plays a crucial role in sugar binding. Based on the interactions and energy calculations, it is concluded that the order of binding specificity of WGAs towards sialylgalactose is WGA3 > WGA1 > WGA2 > WGA. On comparing with the wild type, double point mutated WGA (WGA3) exhibits increased specificity towards sialylgalactose, and thus, it can be effectively used in targeted drug delivery and as biological cell marker in cancer therapeutics. Copyright © 2014 John Wiley & Sons, Ltd.
Selection of aptamers for aflatoxin M1 and their characterization
Authors: Malhotra S. , Pandey A. K. , Rajput Y. S. , Sharma R.
Published: May 2014

In the present work, aptamers against aflatoxin M1 and aflatoxin B1 were generated and tested for creating proof of principle of recognition of aflatoxin M1 by generated aptamers. The aptamers were selected through the process referred as systematic evolution of ligands by exponential enrichment. A total of 41 different aptamer (36 aptamers for aflatoxin M1 and 5 for aflatoxin B1) sequences were obtained. The determination of dissociation constant (Kd) values revealed that aptamers generated against aflatoxin M1 exhibited Kd values in the range of 35–1515 nM. Selected aptamers were grouped on the basis of the presence of common motifs or G‐quadruplex. We find it interesting that one aptamer with no conserved motif or G‐quadruplex had lowest Kd value (Kd = 35 nM). This structural motif is very distinct from motifs present in other aptamers. The Kd values of selected aptamers for aflatoxin B1 were in the range of 96–221 nM. One aptamer from each group was further tested for its ability to be used in aptasensor. The aptamer recognized aflatoxin M1 as indicated by color change (red to purple or blue) of aptamer‐coated gold nanoparticles in the presence of 250–500 nM aflatoxin M1. The aptamers can be used in developing methods for detection/estimation/separation of aflatoxin or antidote for aflatoxin toxicity. Copyright © 2014 John Wiley & Sons, Ltd.
Role of caffeine in DNA recognition of a potential food‐carcinogen benzo[a]pyrene and UVA induced DNA damage
Authors: Banerjee Soma , Chaudhuri Siddhi , Maity Anup Kumar , Saha Partha , Pal Samir Kumar
Published: May 2014

Electron transfer (ET) reactions are important for their implications in both oxidative and reductive DNA damages. The current contribution investigates the efficacy of caffeine, a xanthine alkaloid in preventing UVA radiation induced ET from a carcinogen, benzo[a]pyrene (BP) to DNA by forming stable caffeine–BP complexes. While steady‐state emission and absorption results emphasize the role of caffeine in hosting BP in aqueous medium, the molecular modeling studies propose the energetically favorable structure of caffeine–BP complex. The picosecond‐resolved emission spectroscopic studies precisely explore the caffeine‐mediated inhibition of ET from BP to DNA under UVA radiation. The potential therapeutic activity of caffeine in preventing DNA damage has been ensured by agarose gel electrophoresis. Furthermore, time‐gated fluorescence microscopy has been used to monitor caffeine‐mediated exclusion of BP from various cell lines including squamous epithelial cells, WI‐38 (fibroblast), MCF‐7 (breast cancer) and HeLa (cervical cancer) cells. Our in vitro and ex vivo experimental results provide imperative evidences about the role of caffeine in modified biomolecular recognition of a model carcinogen BP by DNA resulting dissociation of the carcinogen from various cell lines, implicating its potential medicinal applications in the prevention of other toxic organic molecule induced cellular damages. Copyright © 2014 John Wiley & Sons, Ltd.
Evaluation of certain Ni soil tests for an initial estimation of Ni sufficiency critical levels
Authors: Nikoli Thomai , Matsi Theodora
Published: May 2014

Although Ni is officially recognized as an essential micronutrient for all higher plants, the majority of the published research on soil availability of Ni focuses on its hazardous role as a heavy metal. The objective of the study was to evaluate certain Ni soil tests in uncontaminated soils for an initial estimation of its sufficiency critical levels. Nickel was extracted from 30 cultivated soils employing the following extraction methods: DTPA, AB‐DTPA, AAAc‐EDTA, Mehlich‐3, 0.1 M HCl, and 0.1 M HNO3. Ryegrass (Lolium perenne L.) was grown in pots containing the soils, harvested five times, certain plant parameters were determined, and the Cate–Nelson procedures were used for Ni critical levels determination. Among the six methods, HCl was the least reliable extractant for the evaluation of soil available Ni, whereas the most significant (p ≤ 5%) relationships between Ni concentration or Ni uptake by ryegrass and Ni soil tests were consistently obtained for AAAc‐EDTA or Mehlich‐3 extractable Ni. In many cases, > 80% of the variability of Ni concentration or uptake by ryegrass was explained by these two soil tests without the inclusion of other soil properties that affect Ni bioavailability. Sufficiency critical levels of Ni in soil were ≈ 2 mg kg–1 for both methods. Consequently, as an initial approach, concentrations of AAAc‐EDTA or Mehlich‐3 extractable Ni < 2 mg kg–1 are probably a good guide to indicate soils that will respond to Ni fertilization.
Probing high‐energy ion‐implanted silicon by micro‐Raman spectroscopy
Authors: Kopsalis I. , Paneta V. , Kokkoris M. , Liarokapis E. , Erich M. , Petrović S. , Fazinić S. , Tadić T.
Published: May 2014

The effect of ion implantation (4 MeV12C2+, 5 MeV16O2+, and 8 MeV28Si2+) on [110] silicon wafers in channeling and random orientation is investigated by micro‐Raman spectroscopy. The profiles were measured using Scanning Electron Microscope (SEM) showing that the ions were penetrating deeper inside the wafer in the channeling case creating a 1–2 µm wide strongly modified region and agreeing with the d‐nuclear reaction analysis measurements. Micro‐Raman spectroscopy was employed for the assessment of the lattice damage, probing the side surface of the cleaved wafers at submicron step. The phonon modifications show strong lattice distortions in zones parallel to the front surface of the wafers and at depths, which agree with the results of the characterization techniques. In these strongly damaged zones, there is a substantial reduction in the phonon intensity, a small shift in wavenumber position, and a large increase in the phonon width. On the basis of a modification of the phonon confinement model that takes under consideration the laser beam profile, the reduction in intensity of scattered light, and the nanocrystallite size distribution from the simulation of the lattice displacements, the main characteristics of the Raman spectra could be reproduced for the random C and O implantations. The results indicate that at a critical doping level, the induced defects and lattice distortions relax by breaking the silicon single crystal into nanocrystallites, thus creating the observed zones of strongly distorted lattice. Copyright © 2014 John Wiley & Sons, Ltd.
CD30‐positive lymphoproliferative disorders arising after regional therapy for recurrent melanoma: A report of two cases and analysis of CD30 expression
Authors: Gill Kamraan , Ariyan Charlotte , Wang Xuan , Brady Mary Sue , Pulitzer Melissa
Published: May 2014

Background and Objectives

Primary cutaneous CD30‐positive T‐cell lymphoproliferative disorders (CD30+ LPD), including primary cutaneous anaplastic large cell lymphoma (CALCL) and lymphomatoid papulosis (LyP), comprise the second most common group of cutaneous T‐cell lymphomas (CTCL). The etiology of these disorders is not known. Isolated limb perfusion (ILP) and isolated limb infusion (ILI) are forms of regional chemotherapy used to treat recurrent tumors of the extremity, most commonly, melanoma. Secondary malignancy following regional therapy is rarely reported.

Methods/Results

We identified two cases of CD30+ LPD arising in the affected limbs of patients treated with ILP/ILI. We subsequently performed CD30 immunohistochemical stains on 11 pre‐ and post‐treatment skin specimens from melanoma patients treated with ILP/ILI and found that 5 of the 11 cases showed an increase in CD30+ lymphocytes following ILP/ILI.

Conclusions

We hypothesize that ILP/ILI causes upregulation of CD30 expression in the extremities of treated patients, and suggest that this may be a marker of treatment response. However, a rare but long‐term effect may be an increased risk of T‐cell cutaneous lymphoproliferative disease in the affected limb. J. Surg. Oncol. 2014 110:258–264. © 2014 Wiley Periodicals, Inc.
Growth hormone/insulin-like growth factor 1 dynamics in adult living donor liver transplantation
Authors: Jara Maximilian , Schulz Antje , Malinowski Maciej , Puhl Gero , Lock Johan Friso , Seehofer Daniel , Neuhaus Peter , Stockmann Martin
Published: May 2014

End-stage liver disease is accompanied by decreased serum levels of insulin-like growth factor 1 (IGF1) and inversely increased serum levels of growth hormone (GH). Previous reports have demonstrated rapid GH/IGF1 axis recovery after orthotopic liver transplantation. This study investigated the effect in an adult-to-adult living donor liver transplantation (LDLT) model and characterized GH/IGF1 alterations and liver regeneration in both donors and recipients. Sequential blood samples were prospectively collected from 30 donor-recipient pairs during the perioperative course of LDLT. A distinct set of biochemical parameters, including serum GH, serum IGF1, and standard liver blood tests, was analyzed at different time points (preoperatively and during 12 months of follow-up after surgery). Recipients showed significantly higher GH serum levels and lower IGF1 serum levels in comparison with donors before surgery and throughout the first postoperative days (PODs). The GH serum levels of recipients declined, whereas donor levels inversely increased during the early postoperative period to a normal range. Recipients' IGF1 serum levels were restored within the first operative week. In parallel, donor IGF1 levels decreased by 50% after living donation, and preoperative serum levels were restored after 6 months. Donors showed delayed recovery of liver function in comparison with recipients. The dynamics of IGF1 strongly correlated with routine laboratory parameters of liver function. In conclusion, recipients showed a rapid recovery of the GH/IGF1 hormonal axis and liver function after LDLT, whereas donors showed altered GH signaling and regenerative delay in the early PODs after living donation. Liver Transpl 20:1118–1126, 2014. © 2014 AASLD.
Clinical applicability of rapid thrombelastography and functional fibrinogen thrombelastography to adult liver transplantation
Authors: Lu Shu Yang , Tanaka Kenichi A. , Abuelkasem Ezeldeen , Planinsic Raymond M. , Sakai Tetsuro
Published: May 2014

Unlike kaolin thrombelastography (k-TEG), the clinical utility of rapid thrombelastography (r-TEG) and functional fibrinogen thrombelastography (FF-TEG) has not been tested in liver transplantation (LT). These thrombelastography techniques were simultaneously performed at the time of the skin incision (the baseline) and 30 minutes after graft reperfusion (III + 30) for 27 consecutive adult LT patients. k-TEG and r-TEG parameters [alpha angle (α) and maximum amplitude of the clot (MA)] were compared in addition to the assay time. Estimated FF-TEG fibrinogen levels were compared with plasma fibrinogen measurements. At the baseline, the values of Spearman's correlation coefficient (r) between k-TEG and r-TEG were moderate for α (r = 0.40, P = 0.06) and strong for MA (r = 0.90, P < 0.01). At III + 30, r was 0.46 (P < 0.05) for α and 0.80 (P < 0.01) for MA. The average time required to measure MA via r-TEG was decreased in comparison with k-TEG [from 29.7 to 21.6 minutes at the baseline (a 22% reduction) and from 29.6 to 22.9 minutes at III + 30 (a 23% reduction)]. FF-TEG correlated strongly with the plasma fibrinogen level at the baseline (r = 0.90, P < 0.01); however, FF-TEG overestimated the fibrinogen level at III + 30 (r = 0.58, P = 0.01). In conclusion, in adult LT, r-TEG correlates with k-TEG strongly for MA but only moderately for α. FF-TEG estimates the plasma fibrinogen level well at the baseline; however, it must be interpreted with caution because of its overestimation after graft reperfusion when the plasma fibrinogen level often decreases to less than 100 mg/dL. Liver Transpl 20:1097–1105, 2014. © 2014 AASLD.
A Decision Support System for Prioritizing Investments in an Energy Efficiency Program in Favelas in the City of Rio de Janeiro
Authors: Ribas José Roberto , da Silva Rocha Mariana
Published: May 2014

This study proposes an integrated qualitative and quantitative assessment of expert opinions aiming at ranking a set of five shantytowns (favelas) located in the city of Rio de Janeiro. These communities are candidates for investments in an energy efficiency program implemented by the local electric utility company. The city, state, and federal governments want to eliminate domination of these areas by organized criminal gangs and present the city as a peaceful metropolis while hosting two big sports events: the soccer World Cup in 2014 and the Olympic Games in 2016. In recent years, some favelas were chosen to be prototypes for an ambitious project to reshape Rio de Janeiro. This involves first sending in special tactics police to drive drug gangs out, then installing the Pacifying Police Unit in the favela. Once security has been established, it is possible to improve general living conditions in these areas, including by providing public services such as health clinics, formal electricity connections and cable television. The core of the energy efficiency program was to convert informal customers to formal ones, because such communities were responsible for approximately 40% of the commercial losses (stolen energy) in the city. The model specification presented in this paper was set up with ten relevant criteria for decision making, identified through an in‐depth interview with the decision maker. The relative importance of the criteria and the performance of each favela regarding each criterion were measured by the Simos method. The preferences resulting from this method were translated into a nine‐point scale. The imprecision of subjective judgment was partially compensated by using a fuzzy analytical hierarchy process. Some criteria were ordinal, such as ‘Fair Relationship with the Community’ and ‘Complexity to Rebuild the Distribution Lines’, whereas other were cardinal, like ‘Percentage of Clients in Default’ and ‘Commercial Loss Due to Energy Theft’. At the end, the model was efficient in ranking the five favelas, therefore contributing to a rational and transparent approach for capital investment in social projects. Copyright © 2014 John Wiley & Sons, Ltd.
Normal nerve striations are altered in the trembler‐J mouse, a model of charcot–marie–tooth disease
Authors: Power Bridget J. , O'reilly Gavin , Murphy Robert , Murphy Keith J. , Pickering Mark , Jones James F.X.
Published: May 2014

Introduction: This study was initiated because it was noted that the peripheral nerves of Trembler‐J mice (a model of human Charcot–Marie–Tooth disease) appear to lack normal striations. Methods: We performed confocal microscopy of whole sciatic nerves and tested the effect of axial stress on impulse conduction. Results: We found that the axons of mutant mice were longer than those of the wild‐type (1.55 mm of axon/mm length of nerve vs. 1.28 mm/mm respectively). This axonal elongation altered the helical nerve striations (bands of Fontana). As nerves were stretched axially, the conduction distance became correspondingly shorter. The effect on latency was significantly greater in the more coiled nerves of Trembler‐J mice (P = 0.038). Conclusions: The finding that mice with a mutated peripheral myelin protein 22 (PMP22) possess excessively long axons may be related to the excess Schwann cell numbers found in this disorder. Muscle Nerve 51: 246–252, 2015
Mass preparation of nanofibers by high pressure air‐jet split electrospinning: Effect of electric field
Authors: He Jianxin , Lian Yanping , Zhang Xueli , Wu Yanchao , Liu Rangtong
Published: May 2014

A novel electrospinning method using airflow, namely high pressure air‐jet split electrospinning, was proposed to fabricate polymer nanofibers with ultrahigh production rate. 7 wt % polyacrylonitrile spinning solution with a 0.157 Pa s viscosity was divided into micron size droplets by the filter screen in the front of the nozzle, and then these droplets were divided and split through high pressure airflow, which were drafted into nanofibers directly in the electric field and airflow field. In this study, the electric field distributions with different positive electrodes were simulated and their effect on fiber formation was investigated. The results show that electric field distribution and its intensity depended on electrodes area, a broader electric field distribution with a stronger intensity would bring about a larger cone angle of spraying jet region, at the same time, the contrast in the spray region enhanced. When the whole nozzle was charged, thinner fibers with about 170 nm could be prepared and the fiber production was 75.6 g/h. Compared with the conventional needle electrospinning, the throughput of nanofibers could be improved by thousands of times based on this novel electrospinning method. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2014, 52, 993–1001
Exploitation of viral properties for intracellular delivery
Authors: Galdiero Stefania , Falanga Annarita , Vitiello Mariateresa , Grieco Paolo , Caraglia Michele , Morelli Giancarlo , Galdiero Massimiliano
Published: May 2014

Nanotechnology is an expanding area of study with potentially pivotal applications in a discipline as medicine where new biomedical active molecules or strategies are continuously developing. One of the principal drawbacks for the application of new therapies is the difficulty to cross membranes that represent the main physiological barrier in our body and in all living cells. Membranes are selectively permeable and allow the selective internalization of substances; generally, they form a highly impermeable barrier to most polar and charged molecules, and represent an obstacle for drug delivery, limiting absorption to specific routes and mechanisms. Viruses provide attracting suggestions for the development of targeted drug carriers as they have evolved naturally to deliver their genomes to host cells with high fidelity.

A detailed understanding of virus structure and their mechanisms of entry into mammalian cells will facilitate the development and analysis of virus‐based materials for medical applications. Copyright © 2014 European Peptide Society and John Wiley & Sons, Ltd.