bluuebunny/crossref_metadata_2025 huggingface dataset:
The First Family of Actinide Carboxyphosphinates: Two‐ and Three‐Dimensional Uranyl Coordination Polymers
Authors: Yang Weiting , Wang Hao , Tian Wan‐Guo , Li Jiyang , Sun Zhong‐Ming
Published: September 2014

Reaction of uranyl dications with (2‐carboxyethyl)(phenyl)phosphinic acid (CPPA, H2L) under hydrothermal conditions gave two layered isomers (UO2)2(L)2, namely, CPP‐U1 and CPP‐U2. Both of them feature edge‐sharing uranyl dimers as structure‐building units, which are ligated by CPP ligands in different ways, thus leading different layered arrangements. With the addition of imidazole derivatives, two three‐dimensional structures UO2(L)(dib)0.5 (CPP‐U3) and UO2(L)(bbi)0.5 (CPP‐U4) were generated, in which the similar uranyl‐phosphinate layers are connected by two different imidazole derivatives by means of the U–N connection [dib = 1,4‐di(1H‐imidazol‐1‐yl)benzene; bbi = 1,1′‐(1,4‐butanediyl)bis(imidazole)]. The syntheses, structure, as well as the IR spectra, and luminescent and photocatalytic properties of these uranyl organophosphinates are reported in this paper.
New Gold(I) Organometallic Compounds with Biological Activity in Cancer Cells
Authors: Bertrand Benoît , de Almeida Andreia , van der Burgt Evelien P. M. , Picquet Michel , Citta Anna , Folda Alessandra , Rigobello Maria Pia , Le Gendre Pierre , Bodio Ewen , Casini Angela
Published: September 2014

Invited for the cover of this issue is the group of Angela Casini at the Department of Pharmacokinetics, Toxicology and Targeting, Groningen Research Institute of Pharmacy, The Netherlands. The cover image shows the uptake of gold N‐heterocyclic (NHC) complexes, bearing a fluorescent coumarin moiety, in cancer cells and the resulting anticancer effects.
The Legacy of Alfred Werner
Authors: Hindson Karen J.
Published: September 2014

This issue of EurJIC highlights coordination chemistry research 100 years after the first proposal of the structure of [Co(NH3)6]Cl3 as we know it today by Alfred Werner, which formed the foundation of Coordination Chemistry. Our Guest Editors, Debbie Crans and Ebbe Nordlander, invited selected participants of the 4th Zing Coordination Chemistry Conference held in Cancun in December 2013 to submit papers for this Cluster Issue.
Modern Coordination Chemistry 100 Years after Werner
Authors: Crans Debbie C. , Nordlander Ebbe
Published: September 2014

An overview of the papers in this cluster issue is presented.
“It is more than 100 years ago that Alfred Werner developed the research that led to the birth of coordination chemistry as we know it today. The consequences of this seminal work continue to evolve, documenting that not only structural and electronic effects but also perhaps, most importantly, the application of coordination chemistry remain as timely and current now as it was back then.”
The psychometric characteristics of an assessment instrument for perceived harmfulness in adolescents with musculoskeletal pain (PHODA‐youth)
Authors: Verbunt J.A. , Nijhuis A. , Vikström M. , Stevens A. , Haga N. , de Jong J. , Goossens M.
Published: September 2014

Background

Cognitive–behavioural models of chronic pain predict that dysfunctional assumptions about harmfulness of activities may maintain pain‐related fear and disability. To assess perceived harmfulness in adolescents, the Photograph Series of Daily Activities for youth (PHODA‐youth) was developed. Information concerning its methodological quality is currently lacking.

Objective

To investigate psychometric characteristics (factor structure, test–retest reliability, construct validity) and feasibility of the PHODA‐youth in adolescents with chronic musculoskeletal pain.

Study design

Test–retest design.

Study population

Adolescents aged 13–21 years with chronic nonspecific musculoskeletal pain.

Methods

Participants filled in an electronic version of the PHODA‐youth including 89 items twice with a 4‐week interval. The instrument's factor structure was determined by a factor analysis. Construct validity was studied with criterion variables: catastrophizing (Pain Catastrophizing Scale for Children), pain intensity (visual analogue scale), depression (Children's Depression Inventory) and pain‐related disability (Functional Disability Inventory) using regression analysis. Test–retest reliability was evaluated based on the Pearson correlation coefficient. Feasibility was studied with self‐constructed questions.

Results

Seventy‐one adolescents participated. Results show a three‐factor structure for the PHODA‐youth including 51 items with subscales labelled as: ‘activities of daily life’, ‘intensive physical activities’ and ‘social activities’. Total and subscale scores showed a high internal consistency. Its test–retest reliability was good (r = 0.94) and its construct validity is supported by the finding that both catastrophizing (β = 0.25; p = 0.02) and disability (β = 0.71; p < 0.001) were uniquely related to the PHODA‐youth. In addition, feasibility appeared adequate.

Conclusion

The findings support the PHODA‐youth as a valid and reliable measure of the perceived harmfulness of activities in adolescents with musculoskeletal pain.
Conversion of Calophyllum inophyllum Oil with a High Free Fatty Acid Content to Biodiesel using a Starch‐Derived Catalyst
Authors: Ayodele Olubunmi O. , Dawodu Folasegun A.
Published: September 2014

Biodiesel was produced from Calophyllum inophyllum oil using a starch‐derived catalyst. The catalyst, obtained by the sulfonation of carbonized starch, was characterized by various techniques. The catalyst was capable of esterification and transesterification reactions under the conditions studied and it was superior to a catalyst derived from glucose. A biodiesel yield of 99.0 % was achieved under the optimized conditions. The activity of the starch‐derived catalyst can be related to its SO3H density but also to its dispersion and swelling in the reaction medium. The reaction modeled using Langmuir–Hinshelwood (LH) kinetics showed a reaction rate constant that was strongly dependent on temperature, which confirms that the reaction is favored thermodynamically by temperature. This study shows that the catalyst can find application in integrated biodiesel production processes in which both the catalyst and oil feedstock are derived from renewable sources.
Development of a list of reference chemicals for evaluating alternative methods to in vivo fish bioaccumulation tests
Authors: Rodriguez-Sanchez Neus , Cronin Mark Timothy David , Lillicrap Adam , Madden Judith Clare , Piechota Przemyslaw , Tollefsen Knut Erik
Published: September 2014

The aim to reduce the number of animals in experiments has highlighted the need to develop and validate nonanimal methods as alternatives to bioaccumulation studies using fish. The present study details a novel 3-tier approach to develop a list of reference compounds to aid this process. The approach was based on 1) the inclusion of relevant chemical classes supported by high-quality in vivo data for the bioconcentration factor (BCF), whole-body biotransformation rates (Kmet), and metabolism characterization for rainbow trout (Oncorhynchus mykiss) and common carp (Cyprinus carpio) (tiers I and II); and 2) the refinement to ensure a broad coverage of hydrophobicity, bioconcentration potential, molecular weight, maximum molecular diameter, whole-body biotransformation half-lives, and metabolic pathways (tier III). In silico techniques were employed to predict maximal log BCF and molecular and metabolic properties. Of the 157 compounds considered as reference compounds, 144 were supported by high-quality BCF data, 8 were supported by Kmet data, and 5 were supported by in vivo metabolism data. Additional criteria for refinement of the list of reference compounds were suggested to aid practical implementation in experimental efforts. The present list of reference compounds is anticipated to facilitate the development of alternative approaches, enhance understanding of in vivo and in vitro bioaccumulation relationships, and refine in silico BCF and metabolism predictions. Environ Toxicol Chem 2014;33:2740–2752. © 2014 SETAC
Characterization of trenbolone acetate and estradiol metabolite excretion profiles in implanted steers
Authors: Blackwell Brett R. , Brown Tyson R. , Broadway Paul R. , Buser Michael D. , Brooks J. Chance , Johnson Bradley J. , Cobb George P. , Smith Philip N.
Published: September 2014

Exogenous growth promoters have been used in US beef cattle production for over 50 yr. The environmental fate and transport of steroid growth promoters suggest potential for endocrine-disrupting effects among ecological receptors; however, the initial excretion of steroid metabolites from cattle administered growth promoters has not been well characterized. To better characterize excretion of trenbolone acetate and estrogen metabolites, steers were assigned to 1 of the following treatment groups: control, given no implant, or treatment, administered a combination implant (200 mg trenbolone acetate, 40 mg estradiol). Blood, urine, and fecal samples were collected over the course of 112 d following implantation. Samples were extracted and analyzed by liquid chromatography tandem mass spectrometry for trenbolone acetate and estrogen metabolites. In both urine and feces, 17α-trenbolone and 17α-estradiol were the predominant metabolites following implantation. Mean concentrations of 17α-trenbolone and 17α-estradiol in feces of implanted steers were 5.9 ± 0.37 ng/g and 2.7 ± 0.22 ng/g, respectively. A best-fit model is presented to predict 17α-trenbolone and 17α-estradiol excretion from steers receiving implants. The present study provides the first characterization of both trenbolone and estrogen metabolites in excreta from implanted cattle and will help provide estimates of steroid production from feedyards in the United States. Environ Toxicol Chem 2014;33:2850–2858. © 2014 SETAC
Particle-specific toxic effects of differently shaped zinc oxide nanoparticles to zebrafish embryos (Danio rerio)
Authors: Hua Jing , Vijver Martina G. , Richardson Michael K. , Ahmad Farooq , Peijnenburg Willie J.G.M.
Published: September 2014

A general approach is proposed that allows for quantifying the relative toxic contribution of ions released from metallic nanoparticles and of the particles themselves, as exemplified for the case of differently shaped zinc oxide (ZnO) nanoparticles (NPs) exposed to zebrafish embryos. First of all, the toxicity of suspensions of ZnO nanoparticles (NP(total))—nanospheres, nanosticks, cuboidal submicron particles (SMPs), and Zn(NO3)2—to the embryos was assessed. The observed toxicity of ZnO NP(total) is assumed to result from the combined effect of the particles present in the suspensions (NP(particle)) and of the dissolved Zn2+ ions released from the particles (NP(ion)). Different addition models were used to explicitly account for the toxicity of NP(particle). The median lethal concentrations (LC50) of NP(particle) of nanospheres, nanosticks, and SMPs were found to range between 7.1 mg Zn/L and 11.9 mg Zn/L (i.e., to differ by a factor of 1.7). Behavioral performance showed no significant differences among all types of the NP(particle). The median effective concentrations (EC50) of the particles were found to range between 1.0 mg Zn/L and 2.2 mg Zn/L. At the LC50 of each particle suspension, the main contribution to lethality to zebrafish embryos was from the NP(particle) (52%–72%). For hatching inhibition, the NP(particle) was responsible for 38% to 83% of the adverse effects observed. The ZnO nanosticks were more toxic than any of the other NPs with regard to the endpoints mortality and hatching inhibition. The main contribution to toxicity to zebrafish embryos was from the NP(particle) at the LC50 and EC50 of each particle suspension. Environ Toxicol Chem 2014;33:2859–2868. © 2014 SETAC
Joint allocation of uplink and downlink resources for interactive mobile cloud applications
Authors: Chen Jiadi , Zheng Kan , Long Hang , Wang Wenbo
Published: September 2014

Cloud‐based mobile applications are interactive in nature. Due to the strong correlation between uplink request and downlink response, it is irrational to optimize the uplink and downlink resource allocation problem separately and independently. In this paper, the joint uplink and downlink resource allocation problem for interactive mobile cloud applications is considered. The data exchange characteristics between mobile terminal and cloud server is investigated and a novel traffic model including both uplink and downlink transmission queues is constructed. Based on the new traffic model, the resource allocation problem can be formulated as a constrained Markov Decision Process. The objective is to minimize the application response time, that is, the roundtrip delay of causally related packet group (PG) pairs, with a constraint on PG drop rate. The Q‐learning algorithm and Value Iteration Algorithm are employed to obtain a solution that converges to the optimal one. To combat the curse of dimensionality, a sub‐optimal solution is proposed to solve the problem with an acceptable complexity. Numerical results indicate that the reduced complexity solution can achieve a delay performance approximate to that of the optimal solution and outperform other allocation schemes. Copyright © 2014 John Wiley & Sons, Ltd.
Strategies: Energy IT and Business Process Outsourcing—Key Concepts and Trends
Authors: Whitfield Milton B.
Published: September 2014

Energy companies have been doing information technology outsourcing (ITO) and business process outsourcing (BPO) transactions for many years. Besides reviewing some of the key benefits and risks that many energy companies have faced in their ITO and BPO deals, this article will identify some of the latest trends and, in particular, discuss the social media, mobility, analytics, and cloud computing (SMAC) revolution that is occurring across various industries.
Hospitalization for ambulatory care sensitive conditions at health insurance organization hospitals in Alexandria, Egypt
Authors: Mosallam Rasha A. , Guirguis Wafaa W. , Hassan Mona HA
Published: September 2014

This study aimed at estimating the percentage of hospital discharges and days of care accounted for by Ambulatory Care Sensitive Conditions (ACSCs) at Health Insurance Organization (HIO) hospitals in Alexandria, calculating hospitalization rates for ACSCs among HIO population and identifying determinants of hospitalization for those conditions. A sample of 8300 medical records of patients discharged from three hospitals affiliated to HIO at Alexandria was reviewed. The rate of monthly discharges for ACSCs was estimated on the basis of counting number of combined ACSCs detected in the three hospitals and the hospitals' average monthly discharges. ACSCs accounted for about one‐fifth of hospitalizations and days of care at HIO hospitals (21.8% and 20.8%, respectively). Annual hospitalization rates for ACSCs were 152.5 per 10,000 insured population. The highest rates were attributed to cellulitis/abscess (47.3 per 10,000 population), followed by diabetes complications and asthma (42.8 and 20.8 per 10,00 population). Logistic regression indicated that age, number of previous admissions, and admission department are significant predictors for hospitalization for an ACSC. Copyright © 2014 John Wiley & Sons, Ltd.
Organic nanoparticles from different fuel blends: in vitro toxicity and inflammatory potential
Authors: Gualtieri Maurizio , Capasso Laura , D'Anna Andrea , Camatini Marina
Published: September 2014

Despite the well‐established link between particulate vehicle emissions and adverse health effects, the biological effects produced by ultrafine particles generated from fuel combustion need to be investigated. The biological impact of nano‐sized organic carbon particles in the size range 3–7 nm, obtained from an engine fuelled with a standard diesel and four diesel fuels doped with additives of commercial interest is reported. Our data showed that the number of particles < 10 nm is to a very small extent reduced by diesel particle filters, despite its ability to trap micrometric and submicrometric particulates, and that there is a correlation between the additives used and the chemical characteristics of the nanoparticles sampled. The results show that the different nano‐sized organic carbon particles induce cytotoxic and proinflammatory effects on the in vitro systems A549 (epithelial cells) and BEAS‐2B (bronchial cells). All the fuels tested are able to induce the release of proinflammatory interleukins 8 and 6; moreover, the IC50 values show that the additives can increase the toxic potential of particles 10 times. Further analyses are therefore needed to better define the potential impact of organic ultrafine particles on human health. Copyright © 2014 John Wiley & Sons, Ltd.
SLIM: An improved generalized Born implicit membrane model
Authors: Setzler Julia , Seith Carolin , Brieg Martin , Wenzel Wolfgang
Published: September 2014

In most implicit continuum models, membranes are represented as heterogeneous dielectric environments, but their treatment within computationally efficient generalized Born (GB) models is challenging. Despite several previous attempts, an adequate description of multiple dielectric regions in implicit GB‐based membrane models that reproduce the qualitative and quantitative features of Poisson–Boltzmann (PB) electrostatics remains an unmet prerequisite of qualitatively correct implicit membrane models. A novel scheme (SLIM) to decompose one environment consisting of multiple dielectric regions into a sum of multiple environments consisting only of two dielectric regions each is proposed to solve this issue. These simpler environments can be treated with established GB methods. This approach captures qualitative features of PB electrostatic that are not present in previous models. Simulations of three membrane proteins demonstrate that this model correctly reproduces known properties of these proteins in agreement with experimental or other computational studies. © 2014 Wiley Periodicals, Inc.
The role of sonographic cervical length in labor induction at term
Authors: Papillon‐Smith Jessica , Abenhaim Haim A.
Published: September 2014

The purpose of this study is to review the literature examining the role of ultrasound in the induction of labor. Databases including Ovid, PubMed, Web of Science, Google Scholar, and UpToDate were searched and current guidelines from the SOGC, the ACOG, the RCOG, and the RANZCOG were reviewed. Although studies have not demonstrated the superiority of cervical sonography to the Bishop score, the evidence indicates that sonography could be useful in planning induction of labor, significantly reducing the need for cervical ripening agents. A more comprehensive method integrating both sonography and digital exam may be more appropriate. © 2014 Wiley Periodicals, Inc. J Clin Ultrasound 43:7–16, 2015
A novel difficulty scoring system for laparoscopic liver resection
Authors: Ban Daisuke , Tanabe Minoru , Ito Hiromitsu , Otsuka Yuichiro , Nitta Hiroyuki , Abe Yuta , Hasegawa Yasushi , Katagiri Toshio , Takagi Chisato , Itano Osamu , Kaneko Hironori , Wakabayashi Go
Published: September 2014

Early on, laparoscopic liver resection (LLR) was limited to partial resection, but major LLR is no longer rare. A difficulty scoring system is required to guide surgeons in advancing from simple to highly technical laparoscopic resections. Subjects were 90 patients who had undergone pure LLR at three medical institutions (30 patients/institution) from January 2011 to April 2014. Surgical difficulty was assessed by the operator using an index of 1–10 with the following divisions: 1–3 low difficulty, 4–6 intermediate difficulty, and 7–10 high difficulty. Weighted kappa statistic was used to calculate the concordance between the operators' and reviewers' (expert surgeon) difficulty index. Inter‐rater agreement (weighted kappa statistic) between the operators' and reviewers' assessments was 0.89 with the three‐level difficulty index and 0.80 with the 10‐level difficulty index. A 10‐level difficulty index by linear modeling based on clinical information revealed a weighted kappa statistic of 0.72 and that scored by the extent of liver resection, tumor location, tumor size, liver function, and tumor proximity to major vessels revealed a weighted kappa statistic of 0.68. We proposed a new scoring system to predict difficulty of various LLRs preoperatively. The calculated score well reflected difficulty.
Synovial fluid replication in knee wear testing: An investigation of the fluid volume
Authors: Reinders Jörn , Sonntag Robert , Kretzer Jan Philippe
Published: September 2014

Wear testing cannot replicate the variations in wear rates and wear mechanisms seen in vivo, which may be related to differences between in vivo and in vitro conditions. A considerable difference exists between the in vivo synovial fluid volume (few milliliter) and the in vitro substituted bovine serum volume (several hundred milliliter). The aim of this study was to analyze the effects of a reduced fluid volume on the wear behavior in a knee wear simulator study. Four wear tests with decreasing fluid volumes (250, 150, 75, and 45 ml) were carried out. Using a large fluid volume of 250 ml for wear testing resulted in a wear rate of 9.7 ± 1.2 mm3/106 cycles. Decreasing the fluid volume consecutively reduced the wear rate to down to 8.8 ± 1.4 mm3/106for 150 ml (p = 1.00), 5.6 ± 1.2 mm3/106for 75 ml (p = 0.01), and 1.0 ± 0.2 mm3/106cycles for 45 ml fluid volume (p ≤ 0.01). Additionally, higher serum degradation and larger wear particles were observed with smaller fluid volumes used for testing. This study demonstrates the high relevance of the protein‐based lubricant on the wear behavior and the technical limitation to replicate the synovial fluid in simulator tests. Wear testing should be carried out using larger fluid volumes (e.g., 250 ml) to generate physiological relevant wear masses. © 2014 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 33:92–97, 2015.
Enhancement of the bioactive compound content in strawberry fruits grown under iron and phosphorus deficiency
Authors: Valentinuzzi Fabio , Mason Marco , Scampicchio Matteo , Andreotti Carlo , Cesco Stefano , Mimmo Tanja
Published: September 2014

BACKGROUND

Among berries, strawberry fruits are one of the richest natural sources of health‐beneficial components such as micronutrients, antioxidants and phytochemicals. Strawberry quality depends greatly upon genotype, environmental factors, cultivation techniques and nutrient supply. This study aimed to assess the influence of phosphorus and iron deficiency on the bioactive compound content in strawberry fruits grown under hydroponic conditions.

RESULTS

Different nutrient supplies clearly influenced the qualitative parameters of strawberry fruits. Principal component analysis (PCA) showed that three homogeneous clusters could be identified. The three treatments (control, iron deficiency and phosphorus deficiency) differed especially because of their phenolic compounds and antioxidant potential, the strawberry fruits grown under Fe and P deficiency being richer in pelargonidin‐3‐glucoside, benzoic acids and flavonols than the control fruits.

CONCLUSION

Nutrient deficiency had a positive effect on nutritional parameters of strawberry fruits without impairing fruit yield and quality parameters such as acidity, firmness and total soluble solid content. The shaping of nutrient availability in the growing medium could thus be of help in producing an edible yield with the desired qualitative aspects and nutritional value. © 2014 Society of Chemical Industry
Oxalate synthesis in leaves is associated with root uptake of nitrate and its assimilation in spinach (Spinacia oleracea L.) plants
Authors: Liu Xiao Xia , Zhou Kai , Hu Yan , Jin Rong , Lu Ling Li , Jin Chong Wei , Lin Xian Yong
Published: September 2014

BACKGROUND

Excessive accumulation of oxalate in numerous vegetables adversely affects their quality as food. While it is known that nitrate could effectively stimulate oxalate accumulation in many vegetables, little information is available about the mechanism of nitrate‐induced oxalate accumulation. In this study, we examined the association of oxalate synthesis with nitrate uptake and assimilation in two genotypes of spinach (Spinacia oleracea L.), Heizhenzhu and Weilv.

RESULTS

Increasing nitrate levels resulted in enhanced synthesis of oxalate, as well as increased root uptake of nitrate and leaf activities of nitrate reductase (NR) and glutamine synthetase (GS) for both genotypes. Correlation analysis revealed that oxalate accumulation in spinach leaves was positively related with rate of nitrate uptake by roots, as well as leaf activities of NR and GS. Addition of plasmalemma H+‐ATPase inhibitor sodium vanadate (Na3VO4) significantly decreased leaf oxalate accumulation in both genotypes. Presence of NR or GS inhibitors led to reduction of leaf oxalate contents, GS/NR activities and decreased nitrate uptake rate. Significantly higher levels of nitrate root uptake, leaf NR and GS activities were observed in the high‐oxalate genotype Heizhenzhu than in Weilv.

CONCLUSION

Oxalate synthesis in leaves of spinach is not only positively associated with root uptake of nitrate, but also with its assimilation within the plants. © 2014 Society of Chemical Industry
Accommodation and convergence in integral imaging 3D display
Authors: Deng Huan , Wang Qiong‐Hua , Luo Cheng‐Gao , Liu Chun‐Ling , Li Chen
Published: September 2014

In this paper, we analyze the visual fatigue of integral imaging three‐dimensional (3D) display by studying the accommodation and convergence when viewing the integral imaging 3D images. The theoretical analyses show that there is no inconsistency between the accommodation and convergence distances, which means that the integral imaging 3D display has no visual fatigue. Experiments are implemented, and the results finally demonstrate the rationality of the theoretical analyses. These analyses can be quite beneficial for researchers to better understand the performances and promote the practical applications of the integral imaging 3D display.
A Market and Spatial Perspective of Health Tourism Destinations: The Hungarian Experience
Authors: Jónás‐Berki Mónika , Csapó János , Pálfi Andrea , Aubert Antal
Published: September 2014

Since health tourism is one of the most popular and most dynamically developing products of modern tourism, this paper aims at studying the characteristic features of health tourism destinations from a regional and spatial perspective. Accordingly, the authors would like to introduce a new approach of spatial and product analysis of tourism where the market and spatial relations and relevance of health tourism were analysed through the example of Hungary. Although the classic medical tourism centres were established on natural medical water basis, by today, due to product diversification, continuous innovation and the involvement of medical services into health tourism, the geographical embeddedness seems to disappear, thus basically restructuring the market. The methodological novelty of the research is that exceeding the classic supply–demand algorithm, we compiled a complex viewpoint system adequate to the specialities of the given product characteristics. In our study, the authors intend to survey the special characteristics of health tourism focusing on medical destinations through Hungarian examples since the country's leading position in the global market is well recognized, including medical services. Copyright © 2014 John Wiley & Sons, Ltd.
Polarization independent broadband terahertz antireflection by deep‐subwavelength thin metallic mesh
Authors: Ding Lu , Wu Qing Yang Steve , Teng Jing Hua
Published: September 2014

Broadband antireflection coatings for passive terahertz (THz) components are extremely important in the application of THz technology. Metallic nano‐films are commonly used for this purpose. Here a new approach to realize polarization independent broadband antireflection in THz range, based on a meta‐surface design is experimentally demonstrated. The internal reflection of a broadband THz pulse (spectral bandwidth of 0.06 – 4 THz) at a Si/air interface can be fully suppressed with a Cr square mesh with deep‐subwavelength dimensions. Small nonuniformity of the meta‐surface structure can enhance the tolerance on structural parameters for achieving the AR condition. The design concept is applicable to other metals and frequency ranges as well, which opens a new window for future AR coatings.
The use of mass spectrometry to analyze dried blood spots
Authors: Wagner Michel , Tonoli David , Varesio Emmanuel , Hopfgartner Gérard
Published: September 2014

Dried blood spots (DBS) typically consist in the deposition of small volumes of capillary blood onto dedicated paper cards. Comparatively to whole blood or plasma samples, their benefits rely in the fact that sample collection is easier and that logistic aspects related to sample storage and shipment can be relatively limited, respectively, without the need of a refrigerator or dry ice. Originally, this approach has been developed in the sixties to support the analysis of phenylalanine for the detection of phenylketonuria in newborns using bacterial inhibition test. In the nineties tandem mass spectrometry was established as the detection technique for phenylalanine and tyrosine. DBS became rapidly recognized for their clinical value: they were widely implemented in pediatric settings with mass spectrometric detection, and were closely associated to the debut of newborn screening (NBS) programs, as a part of public health policies. Since then, sample collection on paper cards has been explored with various analytical techniques in other areas more or less successfully regarding large‐scale applications. Moreover, in the last 5 years a regain of interest for DBS was observed and originated from the bioanalytical community to support drug development (e.g., PK studies) or therapeutic drug monitoring mainly. Those recent applications were essentially driven by improved sensitivity of triple quadrupole mass spectrometers. This review presents an overall view of all instrumental and methodological developments for DBS analysis with mass spectrometric detection, with and without separation techniques. A general introduction to DBS will describe their advantages and historical aspects of their emergence. A second section will focus on blood collection, with a strong emphasis on specific parameters that can impact quantitative analysis, including chromatographic effects, hematocrit effects, blood effects, and analyte stability. A third part of the review is dedicated to sample preparation and will consider off‐line and on‐line extractions; in particular, instrumental designs that have been developed so far for DBS extraction will be detailed. Flow injection analysis and applications will be discussed in section IV. The application of surface analysis mass spectrometry (DESI, paper spray, DART, APTDCI, MALDI, LDTD‐APCI, and ICP) to DBS is described in section V, while applications based on separation techniques (e.g., liquid or gas chromatography) are presented in section VI. To conclude this review, the current status of DBS analysis is summarized, and future perspectives are provided. © 2014 Wiley Periodicals, Inc. Mass Spec Rev 35:361–438, 2016.
Protein phosphatase 2A is essential to maintain active Wnt signaling and its Aβ tumor suppressor subunit is not expressed in colon cancer cells
Authors: Carmen Figueroa‐Aldariz M. , Castañeda‐Patlán M. Cristina , Santoyo‐Ramos Paula , Zentella Alejandro , Robles‐Flores Martha
Published: September 2014

Canonical Wnt signaling is altered in most cases of colorectal cancer. Experimental evidence indicates that protein phosphatase 2A (PP2A) may play either positive or negative roles in Wnt signaling but its precise in vivo functions remain elusive. In this work, using colon cultured cell lines we showed that basal PP2A activity is markedly reduced in malignant cells compared to non‐malignant counterparts. We found that whereas normal or cancer cells displaying not altered Wnt signaling express mRNAs coding for PP2A‐A scaffold α and β isoforms, cancer cells which have altered Wnt signaling do not express the Aβ isoform mRNA. Remarkably, we found that the Aβ protein levels are lost in all colon cancer cells, and in patients' tumor biopsies. In addition, all cancer cells exhibit higher levels of RalA activity, compared to non‐malignant cells. Rescue experiments to restore Aβ expression in malignant RKO cells, diminished the RalGTPase activation and cell proliferation, indicating that the Aβ isoform acts as tumor suppressor in colon cancer cells. Reciprocal co‐immunoprecipitation and immunofluorescence studies showed that the PP2A‐C and ‐Aα subunits, expressed in all colon cells, interact in vivo with β‐catenin only in malignant cells. Selective inhibition of PP2A did not significantly affect cellular apoptosis but induced dose‐dependent negative effects in β‐catenin‐mediated transcriptional activity and in cell proliferation of malignant cells, indicating that the residual PP2A activity found in malignant cells, mediated by –C and Aα core subunits, is essential to maintain active Wnt signaling and cell proliferation in colon cancer cells. © 2014 Wiley Periodicals, Inc.
MicroRNA‐191, by promoting the EMT and increasing CSC‐like properties, is involved in neoplastic and metastatic properties of transformed human bronchial epithelial cells
Authors: Xu Wenchao , Ji Jie , Xu Yuan , Liu Yawei , Shi Le , Liu Yi , Lu Xiaolin , Zhao Yue , Luo Fei , Wang Bairu , Jiang Rongrong , Zhang Jianping , Liu Qizhan
Published: September 2014

Lung cancer is the leading cause of cancer mortality worldwide. A common interest in lung cancer research is the identification of biomarkers for early diagnosis and accurate prognosis. There is increasing evidence that microRNAs (miRNAs) are involved in lung cancer. To explore new biomarkers of chemical exposure in risk assessment of chemical carcinogenesis and lung cancer, we analyzed miRNA expression profiles of human bronchial epithelial (HBE) cells malignantly transformed by arsenite. High‐throughput microarray analysis showed that 51 miRNAs were differentially expressed in transformed HBE cells relative to normal HBE cells. In particular, miR‐191 was up‐regulated in transformed cells. In HBE cells, arsenite induced increases of miR‐191 and WT1 levels, decreased BASP1 expression, and activated the Wnt/β‐catenin pathway, effects that were blocked by miR‐191 knockdown. In addition, a luciferase reporter assay indicated that BASP1 is a direct target of miR‐191. By inhibiting the expression of BASP1, miR‐191 increased the expression of WT1 to promote activation of Wnt/β‐catenin pathway. In transformed cells, inhibition of miR‐191 expression blocked the epithelial‐mesenchymal transition (EMT) and cancer stem cell (CSC)‐like properties of cells and decreased their migratory capacity and neoplastic properties. Thus, these results demonstrate that miR‐191 modulates the EMT and the CSC‐like properties of transformed cells and indicate that it is an onco‐miR involved in the neoplastic and metastatic properties of transformed cells. © 2014 Wiley Periodicals, Inc.
Determination of mycotoxin exposure in Germany using an LC‐MS/MS multibiomarker approach
Authors: Gerding Johannes , Cramer Benedikt , Humpf Hans‐Ulrich
Published: September 2014

Scope

In this study, the exposure of a German population (n = 101) to mycotoxins was assessed using an LC‐MS/MS urinary multibiomarker approach. Food consumption of the participants was documented with a food frequency questionnaire to correlate mycotoxin exposure with individual nutritional habits.

Methods and results

The presence of 23 urinary biomarkers including trichothecenes (deoxynivalenol (DON), DON‐3‐glucuronide (DON‐3‐GlcA), T‐2 toxin, HT‐2 toxin (HT‐2, HT‐2‐toxin‐4‐glucuronide (HT‐2‐GlcA), fumonisins (fumonisin B1, fumonisin B2), aflatoxins (aflatoxin B1, aflatoxin G2, aflatoxin B2, aflatoxin M1), zearalenone and derivatives (zearalanone, α‐zearalenol, β‐zearalenol, zearalenone‐14‐O‐glucuronide, zearalanone‐14‐O‐glucuronide, α‐zearalenol‐14‐O‐glucuronide/β‐zearalenol‐14‐O‐glucuronide), ochratoxin A, ochratoxin alpha, enniatin B and dihydrocitrinone was evaluated using a validated, sensitive “dilute and shoot”‐LC‐MS/MS method applying Scheduled MRMTM technology. Six mycotoxins and urinary metabolites were detected (DON, DON‐3‐GlcA, zearalenone‐14‐O‐glucuronide, T‐2 toxin, enniatin B, and dihydrocitrinone) in 87% of the samples in single‐ or co‐occurence. Only DON and DON‐3‐GlcA were detectable in quantifiable amounts. A provisional mean daily intake of 0.52 μg DON/kg body weight was calculated. No statistical evidence for the correlation of staple food intake and urinary biomarker concentration could be determined.

Conclusion

The results of this study suggest a low everyday exposure of the investigated German population to mycotoxins, but reveal peak exposures above the widely accepted tolerable daily intake to DON in parts of the population.
Functional characterization of CDX2 during bovine preimplantation development in vitro
Authors: Goissis Marcelo D. , Cibelli Jose B.
Published: September 2014

Placental defects are common in bovine embryos produced using assisted reproductive techniques. A proper understanding of the events leading to inner cell mass (ICM) and trophectoderm (TE) specification could help identify the origins of such developmental failures. We focused on caudal‐type homeobox transcription factor 2 (CDX2) since it has a specific role during TE differentiation in mouse embryos. Of all the preimplantation stages analyzed, CDX2 protein was present only at the blastocyst stage. To further understand the roles of CDX2 during bovine development, we depleted CDX2 mRNA; despite a significant loss of detectable protein, embryos were able to form blastocysts at the same rate as controls. Embryos lacking CDX2 did not show abnormalities in the number of TE, ICM, or total cells in the blastocyst. Expression of the developmentally important genes SOX2, POU5F1, and NANOG, or TE markers such as IFN‐T and KRT18 were not affected by the reduction in CDX2 levels, nor was the localization of SOX2 and POU5F1 protein. Using a functional barrier assay, we observed that the TE epithelial layer of embryos lacking CDX2 had lost its integrity. Our results thus indicate that CDX2 is not required for TE formation during bovine development; nevertheless, it is necessary for maintaining TE integrity. Mol. Reprod. Dev. 81: 962–970, 2014. © 2014 Wiley Periodicals, Inc.
Simultaneous fat saturation and magnetization transfer contrast imaging with steady‐state incoherent sequences
Authors: Zhao Feng , Nielsen Jon‐Fredrik , Swanson Scott D. , Fessler Jeffrey A. , Noll Douglas C.
Published: September 2014

Purpose

This work combines an n‐dimensional fat sat(uration) radiofrequency (RF) pulse with steady‐state incoherent (SSI) pulse sequences, e.g., spoiled gradient‐echo sequence, to simultaneously produce B0 insensitive fat suppression and magnetization transfer (MT) contrast. This pulse is then referred to as “fat sat and MT contrast pulse.”

Theory

We discuss the features of the fat sat and MT contrast pulse and the MT sensitivities of the SSI sequences when combining with fat sat. Moreover, we also introduce an adapted RF spoiling scheme for SSI sequences with fat sat. Methods: Simulations and phantom experiments were conducted to demonstrate the adapted RF spoiling. Fat suppression and MT effects are shown in 3T phantom experiments and in vivo experiments, including brain imaging, cartilage imaging, and angiography.

Results

To ensure that the sequence reaches steady state, the adapted RF spoiling is required for fat sat SSI sequences. Fat sat and MT contrast pulse works robustly with field inhomogeneity and also produces MT contrasts.

Conclusion

SSI sequences with fat sat and MT contrast pulse and adapted RF spoiling can robustly produce fat suppressed and MT contrast images in the presence of field inhomogeneity. Magn Reson Med 74:739–746, 2015. © 2014 Wiley Periodicals, Inc.
Novel species of soluble thermally stable poly(keto ether ether amide)s: preparation, characterization, and properties
Authors: Sabbaghian Elahe , Mehdipour‐Ataei Shahram , Jalilian Seyedmehrdad , Esfahanizadeh Mahshid , Salehi Ali Mohammad , Khodabakhshi Fardin , Jalalian Elham
Published: September 2014

A new diamine containing one keto and four ether groups was prepared through a three‐step reaction: first, hydroquinone was reacted with 1‐fluoro‐4‐nitrobenzene and 4‐(4‐nitrophenoxy) phenol was obtained. The next step was reduction of nitro group to amino group in which 4‐(4‐aminophenoxy) phenol was prepared. In the final step, the new diamine named as bis(4‐(4‐(4‐aminophenoxy)phenoxy)phenyl) methanone was synthesized through reaction of the later compound with 4,4′‐difluoro benzophenone. All prepared materials were fully characterized by spectroscopic methods and elemental analysis. Novel species of poly(keto ether ether amide)s were synthesized via polymerization reaction of the diamine with different diacid chlorides including terephthaloyl chloride, isophthaloyl chloride, and adipoyl chloride. All polyamides were characterized, and their properties such as thermal behavior, thermal stability, solubility, viscosity, water uptake, and crystallinity were investigated and compared together. The glass transition temperatures of the polymers were about 204–232°C, and their 10% weight losses were in the range of 396–448°C. Polymers showed high thermal stability and enhanced solubility that mainly resulted from incorporation of the diamine structure containing keto, ether, and aromatic units into polyamide backbones. Copyright © 2014 John Wiley & Sons, Ltd.
Cardiac function after hematopoietic cell transplantation: An echocardiographic cross‐sectional study in young adults treated in childhood
Authors: Genberg M. , Öberg A. , Andrén B. , Hedenström H. , Frisk P. , Flachskampf F.A.
Published: September 2014

Background

Hematopoietic cell transplantation (HCT) including preparative regimens with chemotherapy and total body irradiation (TBI) is an accepted treatment for many malignant disorders but may have side‐effects for several organs, including the cardiovascular system. The aim of this study was to study very long‐term consequences on cardiac function after childhood HCT.

Procedure

Cardiac function was evaluated using echocardiography and levels of NT‐proBNP and growth hormone (GHmax) in 18 patients, at a median of 18 years after HCT including TBI, and in 18 matched controls.

Results

Patients after HCT had cardiac dimensions, volumes, and left ventricular ejection fractions within normal range after correction for body size. However, compared with the control group, patients after HCT had significantly lower E/A ratio, as a measure of left ventricular diastolic function, significantly lower fractional shortening and mitral annular plane systolic excursion, as measures of left ventricular systolic function, significantly lower tricuspid annular plane systolic excursion, as a measure of right ventricular function, and significantly higher NT‐proBNP, as a measure of total cardiac function. Also, pulmonary flow acceleration time was shorter in the group after HCT, indicating possible pulmonary involvement. Heart rate was significantly higher and GHmax significantly lower in patients after HCT.

Conclusions

Almost two decades after HCT, including preparative regimens with TBI, cardiac function in patients was found to be within normal range. However, when compared with a healthy control group, patients after HCT showed lower systolic and diastolic left ventricular function as well as lower right ventricular function. Pediatr Blood Cancer 2015;62:143–147. © 2014 Wiley Periodicals, Inc.
Multifunctional TiO2‐Based Particles: The Effect of Fluorination Degree and Liquid Surface Tension on Wetting Behavior
Authors: Lai Yuekun , Zhou Huanfu , Zhang Zheng , Tang Yuxin , Ho Jeffrey Weng Chye , Huang Jianying , Tay Qiuling , Zhang Keqin , Chen Zhong , Binks Bernard P.
Published: September 2014

A systematic investigation into the influence of the degree of fluorination on the static and dynamic wetting behavior of TiO2‐based nanobelt (TNB) particles with various liquids is described. The effect of the degree of fluorination and the surface tension of the liquid on the occurrence and stability of liquid marbles, foams or dispersions are studied and the wetting behavior and arrangement of particles at the air–liquid surface are observed. Using contact angle (θ) measurements, the relation between the type of particle‐stabilized material and θ is established. For liquids of relatively high tension like water or formamide which do not wet the fluorinated particles, a powder‐like material (marble) is formed. For polar oils of intermediate tension (35–50 mN m−1), which partially wet the fluorinated particles, stable air‐in‐oil foams can be prepared in which particles form a close‐packed layer enveloping air bubbles. Liquids of relatively low tension, e.g., ethanol or polydimethylsiloxane, wet the particles forming a uniform dispersion and partial sedimentation. By contrast, the as‐prepared hydrophilic TNB particles are rapidly wetted by all the liquids as expected due to their high surface energy. The stable cross‐stacked TNB particles with fluoroalkylsilane (FAS) modification could be a versatile platform in a wide range of applications, especially for fluidic devices (e.g., biofluids, gas sensing, and lab‐on‐a‐chip devices). In a proof‐of‐concept study, the oil–water separation performance of fabrics with chemically stable TNB/FAS coating and the liquid isolation by a TNB/FAS shell for highly sensitive gas sensing or reagent assays are investigated.
Physics‐based enzyme design: Predicting binding affinity and catalytic activity
Authors: Sirin Sarah , Pearlman David A. , Sherman Woody
Published: September 2014

Computational enzyme design is an emerging field that has yielded promising success stories, but where numerous challenges remain. Accurate methods to rapidly evaluate possible enzyme design variants could provide significant value when combined with experimental efforts by reducing the number of variants needed to be synthesized and speeding the time to reach the desired endpoint of the design. To that end, extending our computational methods to model the fundamental physical–chemical principles that regulate activity in a protocol that is automated and accessible to a broad population of enzyme design researchers is essential. Here, we apply a physics‐based implicit solvent MM‐GBSA scoring approach to enzyme design and benchmark the computational predictions against experimentally determined activities. Specifically, we evaluate the ability of MM‐GBSA to predict changes in affinity for a steroid binder protein, catalytic turnover for a Kemp eliminase, and catalytic activity for α‐Gliadin peptidase variants. Using the enzyme design framework developed here, we accurately rank the most experimentally active enzyme variants, suggesting that this approach could provide enrichment of active variants in real‐world enzyme design applications. Proteins 2014; 82:3397–3409. © 2014 Wiley Periodicals, Inc.