bluuebunny/crossref_metadata_2025 huggingface dataset:
Assessing exceedance of ozone standards: a space‐time downscaler for fourth highest ozone concentrations
Authors: Berrocal V.J. , Gelfand A.E. , Holland D.M.
Published: May 2014

The US Environmental Protection Agency is required to monitor, regulate, and set national ambient air quality standards for ozone. To investigate ozone exposure, the Environmental Protection Agency utilizes monitoring devices along with estimates of gridded ground level ozone concentration produced by a deterministic air quality model, the Community Multiscale Air Quality Model. These two sources of information enable inference regarding spatial exceedance of the National Ambient Air Quality Standard for ozone, which is given in terms of the level of the annual fourth highest ozone concentration.

Here, we extend previous downscaling work to propose a spatial fourth highest extreme value downscaling model to assimilate annual fourth highest ozone concentration data at geo‐coded locations with estimates at grid cell level derived from the Community Multiscale Air Quality Model model output. The resulting inference enables us to make probabilistic statements, with associated uncertainty, about the spatial variation in the chance of exceeding the standard. We apply our approach to data in the Eastern USA during years 2001–2008 and compare its predictive performance to that of downscaler models based on Gaussian processes applied to daily data. Copyright © 2014 John Wiley & Sons, Ltd.
Controlling Polymer Solubility: Polyfluorenes with Branched Semiperfluorinated Side Chains for Polymer Light‐Emitting Diodes
Authors: Pevzner Leonid , Auer Manuel , Trattnig Roman , Klapper Markus , List‐Kratochvil Emil J. W. , Müllen Klaus
Published: May 2014

A series of novel polyfluorenes, soluble exclusively in perfluorinated solvents, were prepared. The new materials were studied with regard to orthogonal processing of organic electronic materials. The desired solubility was achieved by introducing semifluorinated side chains to the fluorene monomers. Since the use of long perfluoroalkyl chains (RF) is restricted due to public health concerns, a synthetic route for polyfluorenes with short RF chains branched by aromatic units has been developed. The photophysical behavior of the resulting polymers was investigated in solution and thin films by UV/Vis absorption and photoluminescence spectroscopy. The photoluminescence quantum yields were found to be in the range of those of alkylated polyfluorenes. The electroluminescent properties were studied in single‐layer polymer light‐emitting diodes, with the new polymers as active materials, which exhibited similar characteristics to previously published single‐layer devices with polyfluorenes containing long RF. The wetting properties of different polyfluorene films containing fluorinated, polar, polyethylene glycol, or nonpolar alkyl groups were investigated by contact angle measurements.
Pairwise decomposition of an MMGBSA energy function for computational protein design
Authors: Gaillard Thomas , Simonson Thomas
Published: May 2014

Computational protein design (CPD) aims at predicting new proteins or modifying existing ones. The computational challenge is huge as it requires exploring an enormous sequence and conformation space. The difficulty can be reduced by considering a fixed backbone and a discrete set of sidechain conformations. Another common strategy consists in precalculating a pairwise energy matrix, from which the energy of any sequence/conformation can be quickly obtained. In this work, we examine the pairwise decomposition of protein MMGBSA energy functions from a general theoretical perspective, and an implementation proposed earlier for CPD. It includes a Generalized Born term, whose many‐body character is overcome using an effective dielectric environment, and a Surface Area term, for which we present an improved pairwise decomposition. A detailed evaluation of the error introduced by the decomposition on the different energy components is performed. We show that the error remains reasonable, compared to other uncertainties. © 2014 Wiley Periodicals, Inc.
1H and 13C NMR scaling factors for the calculation of chemical shifts in commonly used solvents using density functional theory
Authors: Pierens Gregory K.
Published: May 2014

Calculation of NMR chemical shifts and coupling constants using quantum mechanical calculations [density functional theory (DFT)], has become a very popular tool for the determination of conformation and the assignment of stereochemistry within a molecule. We present the scaling factors (linear regression parameters) from 10 DFT methods for 10 commonly used NMR solvents using the same set of reference compounds. The results were compared with the corresponding gas‐phase calculations to assess the inclusion of the polarizable continuum model for solvent effects. © 2014 Wiley Periodicals, Inc.
A new catalogue of tropical cyclones of the northern Bay of Bengal and the distribution and effects of selected landfalling events in Bangladesh
Authors: Alam Edris , Dominey‐Howes Dale
Published: May 2014

Tropical cyclones devastate large areas, take numerous lives and damage extensive property in Bangladesh. Research on landfalling tropical cyclones affecting Bangladesh has primarily focused on events occurring since AD 1960 with limited work examining earlier historical records. We rectify this gap by developing a new tropical cyclone catalogue that maximizes the use of available sources. The catalogue consists of 304 tropical cyclones that occurred between AD 1000 and AD 2009 and made landfall along the coasts of Bangladesh, eastern India and Myanmar. One hundred and ninety‐three events directly struck Bangladesh between AD 1484 and AD 2009, although the precise landfall location of six events is unknown. Of the remaining 187 events, Cox's Bazar, Chittagong, Noakhali, Barisal and Khulna were struck by 30, 46, 19, 41 and 51 tropical cyclones, respectively. There is a paucity of data about tropical cyclones before AD 1900 and this increases the further back in time we go. Inconsistencies in reported storm surge height, wind speed and exaggerations in the reporting of deaths are identified and discussed. Some 20 72 509 human deaths in Bangladesh are associated with 71 tropical cyclones that occurred between AD 1484 and AD 2009. Between AD 1923 and AD 2009, 11 tropical cyclones caused 94 35 000 people to become homeless and between AD 1961 and AD 2009, 10 tropical cyclones resulted in economic damage of over US$ 4.6 billion. Analysis of the deaths and damage associated with tropical cyclones in AD 1970, AD 1991 and AD 2007 indicates that while the number of deaths decreased between events, economic damage and the number of people made homeless increased. There are positive and significant correlations between increasing storm surge height and increasing human fatalities (r = 0.60, p < 0.01) and increasing human injuries and greater wind speed (r = 0.45, p < 0.01). Despite our best efforts, the catalogue is incomplete. As such, we suggest further ‘deep’ archival research coupled with regional geological studies of palaeostorm events to gain a more sophisticated understanding of the hazard. Our results have implications for both risk assessment and disaster risk reduction.
Time of hepatocellular carcinoma recurrence after liver resection and alpha-fetoprotein Are important prognostic factors for salvage liver transplantation
Authors: Lee Sanghoon , David Kwon Choon Hyuck , Kim Jong Man , Joh Jae-Won , Paik Seung Woon , Kim Bong-Wan , Wang Hee-Jung , Lee Kwang-Woong , Suh Kyung-Suk , Lee Suk-Koo
Published: May 2014

Salvage liver transplantation (LT) is considered a feasible option for the treatment of recurrent hepatocellular carcinoma (HCC). We performed this multicenter study to assess the risk factors associated with the recurrence of HCC and patient survival after salvage LT. Between January 2000 and December 2011, 101 patients who had previously undergone liver resection (LR) for HCC underwent LT at 3 transplant centers in Korea. Sixty-nine patients' data were retrospectively reviewed for the analysis. The recurrence of HCC was diagnosed at a median of 10.6 months after the initial LR, and patients underwent salvage LT. Recurrences were within the Milan criteria in 48 cases and were outside the Milan criteria in 21 cases. After salvage LT, 31 patients had HCC recurrence during a median follow-up period of 24.5 months. There were 24 deaths, and 20 were due to HCC recurrence. The 5-year overall survival rate was approximately 54.6%, and the 5-year recurrence-free survival rate was 49.3%. HCC recurrence within the 8 months after LR [hazard ratio (HR) = 3.124, P = 0.009], an alpha-fetoprotein level higher than 200 ng/mL (HR = 2.609, P = 0.02), and HCC outside the Milan criteria at salvage LT (HR = 2.219, P = 0.03) were independent risk factors for poor recurrence-free survival after salvage LT. In conclusion, the timing and extent of HCC recurrence after primary LR both play significant roles in the outcome of salvage LT. Liver Transpl 20:1057-1063, 2014. © 2014 AASLD.
Poly(exTTF): A Novel Redox‐Active Polymer as Active Material for Li‐Organic Batteries
Authors: Häupler Bernhard , Burges René , Friebe Christian , Janoschka Tobias , Schmidt Daniel , Wild Andreas , Schubert Ulrich S.
Published: May 2014

The first polymer bearing exTTF units intended for the use in electrical charge storage is presented. The polymer undergoes a redox reaction involving two electrons at −0.20 V vs Fc/Fc+ and is applied as active cathode material in a Li‐organic battery. The received coin cells feature a theoretical capacity of 132 mAh g−1, a cell potential of 3.5 V, and a lifetime exceeding more than 250 cycles.

image
Quantitative muscle ultrasound in Duchenne muscular dystrophy: A comparison of techniques
Authors: Shklyar Irina , Geisbush Tom R. , Mijialovic Aleksandar S. , Pasternak Amy , Darras Basil T. , Wu Jim S. , Rutkove Seward B. , Zaidman Craig M.
Published: May 2014

Introduction

Muscle pathology in Duchenne muscular dystrophy (DMD) can be quantified using ultrasound by measuring either the amplitudes of sound‐waves scattered back from the tissue [quantitative backscatter analysis (QBA)] or by measuring these backscattered amplitudes after compression into grayscale levels (GSL) obtained from the images. Methods: We measured and compared QBA and GSL from 6 muscles of 25 boys with DMD and 25 healthy subjects, aged 2‐14 years, with age and, in DMD, with function (North Star Ambulatory Assessment). Results: Both QBA and GSL were measured reliably (intraclass correlation ≥ 0.87) and were higher in DMD than controls (P < 0.0001). In DMD, average QBA and GSL measured from superficial regions of muscle increased (rho ≥ 0.47, P < 0.05) with both higher age and worse function; in contrast, GSL measured from whole regions of muscle did not. Conclusions: QBA and GSL measured from superficial regions of muscle can similarly quantify muscle pathology in DMD. Muscle Nerve 51: 207–213, 2015
Bariatric surgery‐induced weight loss causes remission of food addiction in extreme obesity
Authors: Pepino Marta Yanina , Stein Richard I. , Eagon J. Christopher , Klein Samuel
Published: May 2014

Objective

To test the hypotheses that bariatric surgery‐induced weight loss: induces remission of food addiction (FA), and normalizes other eating behaviors associated with FA.

Methods

Forty‐four obese subjects (BMI= 48 ± 8 kg/m2) were studied before and after ∼20% weight loss induced by bariatric surgery (25 Roux‐en‐Y gastric bypass, 11 laparoscopic adjustable gastric banding, and eight sleeve gastrectomy). We assessed: FA (Yale Food Addiction Scale), food cravings (Food Craving Inventory), and restrictive, emotional and external eating behaviors (Dutch Eating Behavior Questionnaire).

Results

FA was identified in 32% of subjects before surgery. Compared with non‐FA subjects, those with FA craved foods more frequently, and had higher scores for emotional and external eating behaviors (all P‐values <0.01; all Cohen's d >0.8). Surgery‐induced weight loss resulted in remission of FA in 93% of FA subjects; no new cases of FA developed after surgery. Surgery‐induced weight loss decreased food cravings, and emotional and external eating behaviors in both groups (all P‐values < 0.001; all Cohen's d ≥ 0.8). Restrictive eating behavior did not change in non‐FA subjects but increased in FA subjects (P < 0.01; Cohen's d>1.1).

Conclusion

Bariatric surgery‐induced weight loss induces remission of FA and improves several eating behaviors that are associated with FA.
RNA‐Seq and expression microarray highlight different aspects of the fetal amniotic fluid transcriptome
Authors: Zwemer Lillian M. , Hui Lisa , Wick Heather C. , Bianchi Diana W.
Published: May 2014

Objective

The aim of this study was to compare the complexity of the amniotic fluid supernatant cell‐free fetal transcriptome as described by RNA Sequencing (RNA‐Seq) and gene expression microarrays.

Methods

Cell‐free fetal RNA from the amniotic fluid supernatant of five euploid mid‐trimester samples was divided and prepared in tandem for analysis by either the Affymetrix HG‐U133 Plus 2.0 Gene Chip microarray or Illumina HiSeq. Transcriptomes were assembled and compared on the basis of the presence of signal, rank‐order gene expression, and pathway enrichment using Ingenuity Pathway Analysis (IPA). RNA‐Seq data were also examined for evidence of alternative splicing.

Results

Within individual samples, gene expression was strongly correlated (R = 0.43–0.57). Fewer expressed genes were observed using RNA‐Seq than gene expression microarrays (4158 vs 8842). Most of the top pathways in the ‘Physiological Systems Development and Function’ IPA category were shared between platforms, although RNA‐Seq yielded more significant p‐values. Using RNA‐Seq, examples of known alternative splicing were detected in several genes including H19 and IGF2.

Conclusions

In this pilot study, we found that expression microarrays gave a broader view of overall gene expression, while RNA‐Seq demonstrated alternative splicing and specific pathways relevant to the developing fetus. The degraded nature of cell‐free fetal RNA presented technical challenges for the RNA‐Seq approach. © 2014 John Wiley & Sons, Ltd.
A revisit of high collision energy effects on collision‐induced dissociation spectra using matrix‐assisted laser desorption/ionization tandem time‐of‐flight mass spectrometry (MALDI‐LIFT‐TOF/TOF): application to the sequencing of RNA/DNA chimeras
Authors: Mauger Florence , Tabet Jean‐Claude , Gut Ivo G.
Published: May 2014

RATIONALE

High‐energy collision‐induced dissociation (CID) spectra of isomeric RNA/DNA chimeras using matrix‐assisted laser desorption/ionization time‐of‐flight LIFT mass spectrometry (MALDI‐LIFT‐TOF/TOF) can potentially be applied for an exhaustive fragment characterization in a nucleic acid sequencing scheme. These chimeras contain deoxynucleotides and at the 3'‐end a ribonucleotide with a 3'‐phosphate group.

METHODS

Deprotonated RNA/DNA chimeras of 4‐, 5‐, 7‐ and 10‐mers are analyzed by CID. This enhances consecutive dissociations from both the precursor and prompt product anions generated by MALDI and metastable fragmentations prior to entering the LIFT cell.

RESULTS

Gas‐phase fragmentations of 4‐ and 5‐mers produced many fragment ions, from base release prior to consecutive cleavage of the nucleotide phosphate bond linkage phosphate. The unusual a4− product ion is a specific and diagnostic dissociation of the 4‐mer if the ribonucleotide contains cytosine. As the size of RNA/DNA chimeras increase, several abundant product ions are generated mainly from zwitterionic forms (deprotonated phosphate ester and protonated base sites): [(M‐H)–BiH]−, [ai–BiH]−, wj−, [wj, (ai‐BiH)]− (if Bi ≠ T) as internal product ion, and more rarely [wj–BiH]−. The absence of the majority of the [ai–BiH]− series although the wj− series suggested that the higher critical energy processes with a loose transition state are favored yielding the wj− series. A large number of abundant fragment ions are detected which enable each isomer to be sequenced.

CONCLUSIONS

This sequencing method is high‐throughput, accurate and could be used to sequence isomers of up to 10‐mers and also oligonucleotides of unknown sequence. However, RNA/DNA chimeras without thymine must be sufficiently concentrated to reach desorption of deprotonated molecular species to be selected in LIFT to produce all fragment ions within measurable abundances. Copyright © 2014 John Wiley & Sons, Ltd.
Comprehensive gas chromatography–electron ionisation mass spectrometric analysis of fatty acids and sterols using sequential one‐pot silylation: quantification and isotopologue analysis
Authors: Kloos Dick‐Paul , Gay Emmanuel , Lingeman Henk , Bracher Franz , Müller Christoph , Mayboroda Oleg A , Deelder André M , Niessen Wilfried M A , Giera Martin
Published: May 2014

RATIONALE

Fatty acids and sterol lipids play crucial roles in several biological processes and several biological facts underline the interconnection between these lipid classes. Therefore, it is of interest to develop a comprehensive method analysing both classes in the form of their most favourable derivatives suitable for quantification and isotopologue analysis.

METHODS

Lipids were derivatised by a sequential one‐pot procedure using N‐tert‐butyldimethylsilyl‐N‐methyltrifluoroacetamide (MtBSTFA) and N,O‐bis(trimethylsilyl)trifluoroacetamide (BSTFA). No clean‐up or concentration steps were necessary. The prepared samples were directly available for gas chromatography–electron ionisation mass spectrometric (GC–EI‐MS) analysis on a standard column. For quantification, the SIM mode was used and for isotopologue analysis scheduled scan mode was applied.

RESULTS

Development of a sequential one‐pot derivatisation for GC–EI‐MS allowing comprehensive analysis of fatty acids and sterols as their most favourable derivatives. Validation carried out using human plasma, comparison with certified NIST plasma. LLOQ of usually 3.3 ng/mL achieved. Isotopologue analysis of 2‐[13C]‐acetate incorporation in HL‐60 cells proving feasibility of method.

CONCLUSIONS

The presented method successfully combines two consecutive silylation reactions in one pot, enabling the analysis of both fatty acids and sterols in a comprehensive analytical method. The method has great potential for the quantification of lipids as well as the comprehensive study of both biochemical pathways, using [13C]‐flux analysis. Copyright © 2014 John Wiley & Sons, Ltd.
Extraordinary Transformations to Achieve the Synthesis of Remarkable Aromatic Compounds
Authors: Bodwell Graham J.
Published: May 2014

Note from the Editor:

When we walk around a sculpture, it can speak to us in many ways, sometimes quite differently from various view points. Central to Tetsuo Nozoe and the Nozoe Autograph Book project are novel aromatic compounds. Just look at nearly any page and such compounds jump out at us. We can categorize them in many ways. Their structures. Their physical properties. Their pharmacological and toxicological properties. Their commercial utilities. Their symmetry. Their size. In this essay, Graham Bodwell brings to us his analysis of the various ways in which some of the most remarkable of these compounds have been ingeniously synthesized. We are privileged to have Bodwell's vision and his sense of organization and beauty. Tetsuo Nozoe would have beamed!

—Jeffrey I. Seeman

Guest Editor

University of Richmond

Richmond, Virginia 23173, USA

E‐mail: jseeman@richmond.edu
Mini-Open versus Extended open Release for Severe Carpal Tunnel Syndrome
Authors: Murthy Praveen G. , Goljan Peter , Mendez Gregory , Jacoby Sidney M. , Shin Eon K. , Osterman Arthur Lee
Published: May 2014

Background

This study aims to compare surgical outcomes of severe carpal tunnel syndrome (CTS) treated with mini-incision versus extensile release.

Methods

The method employed in this study was a retrospective review of patients with severe CTS, defined by electrophysiologic studies showing non-recordable distal sensory latency of the median nerve. Patients underwent either a mini-incision (2 cm) release of the transverse carpal ligament (group 1) or extensile release proximal to the wrist flexion crease (group 2). Exclusion criteria included prior carpal tunnel release, use of muscle flap, multiple concurrent procedures, or a prior diagnosis of peripheral neuropathy. Group 1 included 70 wrists (40 females, 30 males). Group 2 included 64 wrists (35 females, 29 males). Reported outcomes included pre- and post-operative grip strength as well as Boston Carpal Tunnel Questionnaires (BCTQ).

Results

Patients in group 1 had a 22.6 % increase in grip strength postoperatively (4.5 months±5.0), while patients in group 2 had a 59.3 % increase (10.0 months±6.9). BCTQ surveys from group 1 ( n=46) demonstrated a symptom severity score of 12.93 and functional status score of 9.39 at an average follow-up of 41.9±10.6 months. Group 2 ( n=42) surveys demonstrated averages of 12.88 and 9.10 at 43.1± 11.6 months. One patient in the mini-incision cohort required revision surgery after 2 years, while no patient in the extended release cohort underwent revision.

Conclusion

No significant differences between the two procedures with regard to patient-rated symptom severity or functional status outcomes were found. Both techniques were demonstrated to be effective treatment options for severe CTS.
Enrichment of Refined Olive Oil with Palmitic and Docosahexaenoic Acids to Produce a Human Milk Fat Analogue
Authors: Li Ruoyu , Pande Garima , Sabir Jamal S. M. , Baeshen Nabih A. , Akoh Casimir C.
Published: May 2014

Refined olive oil was enriched with palmitic acid (PA) and docosahexaenoic acid (DHA) via lipase‐catalyzed acidolysis reaction using Novozym 435 in hexane. The enrichment reaction was optimized by response surface methodology. Three independent variables, reaction time (12, 18, and 24 h), temperature (55, 60, and 65 °C), and substrate molar ratio (refined olive oil:DHA single cell oil free fatty acid:PA 1:1:6, 1:1:9, and 1:1:12) and three responses, total PA and DHA incorporation, and PA content at the sn‐2 position were investigated. Results showed that PA was incorporated into the triacylglycerols(TAGs) of refined olive oil at up to 55.79 mol % while incorporation of PA at the sn‐2 position and total DHA were found to be up to 33.63 and 3.54 mol %, respectively. Second‐order models were generated for each of the three responses. A Chi‐square test verified that the predicted values from the models were not significantly different from the observed ones. The prediction power of the models was further confirmed by a solvent‐free scale‐up reaction. The produced structured lipids have the potential to be used in infant formula.
Spatial organization of large- and very-large-scale motions in a turbulent channel flow
Authors: Lee Jin , Lee Jae Hwa , Choi Jung-Il , Sung Hyung Jin
Published: May 2014

Direct numerical simulations were carried out to investigate the spatial features of large- and very-large-scale motions (LSMs and VLSMs) in a turbulent channel flow ($\def \xmlpi #1{}\def \mathsfbi #1{\boldsymbol {\mathsf {#1}}}\let \le =\leqslant \let \leq =\leqslant \let \ge =\geqslant \let \geq =\geqslant \def \Pr {\mathit {Pr}}\def \Fr {\mathit {Fr}}\def \Rey {\mathit {Re}}\mathit{Re}_{\tau }=930$). A streak detection method based on the streamwise velocity fluctuations was used to individually trace the cores of LSMs and VLSMs. We found that both the LSM and VLSM populations were large. Several of the wall-attached LSMs stretched toward the outer regions of the channel. The VLSMs consisted of inclined outer LSMs and near-wall streaks. The number of outer LSMs increased linearly with the streamwise length of the VLSMs. The temporal features of the low-speed streaks in the outer region revealed that growing and merging events dominated the large-scale (1–$3\delta $) structures. The VLSMs $({>}3\delta )$ were primarily created by merging events, and the statistical analysis of these events supported that the merging of large-scale upstream structures contributed to the formation of VLSMs. Because the local convection velocity is proportional to the streamwise velocity fluctuations, the streamwise-aligned structures of the positive- and negative-$u$ patches suggested a primary mechanism underlying the merging events. The alignment of the positive- and negative-$u$ structures may be an essential prerequisite for the formation of VLSMs.
Fishing for community and culture: the value of fisheries in rural Alaska
Authors: Holen Davin
Published: May 2014

In Alaska, fishing provides important economic and socio-cultural benefits for rural communities. This paper presents some of the findings from a research project that investigated the role of commercial and subsistence fishing in the maintenance of economic and social viability, and the ways in which residents of rural communities in Alaska value fishing. Three rural fishing communities in Alaska served as case studies for this project: Chenega Bay in Prince William Sound, Kokhanok in Bristol Bay, and Tyonek in Cook Inlet. In all three communities, both old and young residents note that younger people are not participating in fishing as much as they did in the past, and there is concern that fishing traditions will not continue. However, research findings show how important fishing is as a social, cultural, and community activity for families. Residents noted fishing provided for a quality of life that included values associated with family, community, culture, and freedom.
A social health services model to promote active ageing in Mexico: design and evaluation of a pilot programme
Authors: PÉREZ-CUEVAS RICARDO , DOUBOVA SVETLANA V. , BAZALDÚA-MERINO LAURA ANGÉLICA , REYES-MORALES HORTENSIA , MARTÍNEZ DAVID , KARAM ROBERTO , GAMEZ CARLOS , MUÑOZ-HERNÁNDEZ ONOFRE
Published: May 2014

The objective of the study was to design and evaluate a pilot programme aimed at promoting the active ageing of older adults at the Mexican Institute of Social Security. The study was conducted in three stages: (a) design; (b) implementation; and (c) before–after evaluation through analysis of changes in functional status, occupational functioning and health-related quality of life. To overcome the limitations of the study design, we evaluated the effect of 80 per cent adherence to the programme on the outcome variables using the generalised linear regression models (GLM). Two hundred and thirty-nine older adults agreed to participate, of whom 65 per cent completed the programme. Most were women; the average age was 77 years. Adherence to the programme was higher than 75 per cent for the group who completed active ageing services and less than 60 per cent for the drop-out group. Overall, 46 per cent of older adults reached an adherence level of 80 per cent or higher. Adherence was significantly associated with improved quality of life total score (coefficient 2.7,p<0.0001) and occupational functioning total score (coefficient 2.2,p<0.0001). Participation of older adults in an active ageing programme may improve their health-related quality of life and occupational functioning. It is necessary to identify the potential barriers and to implement strategies to improve the recruitment and retention rates during the intervention.
Diphtheria outbreak in Maranhão, Brazil: microbiological, clinical and epidemiological aspects
Authors: SANTOS L. S. , SANT'ANNA L. O. , RAMOS J. N. , LADEIRA E. M. , STAVRACAKIS-PEIXOTO R. , BORGES L. L. G. , SANTOS C. S. , NAPOLEÃO F. , CAMELLO T. C. F. , PEREIRA G. A. , HIRATA R. , VIEIRA V. V. , COSME L. M. S. S. , SABBADINI P. S. , MATTOS-GUARALDI A. L.
Published: May 2014

We describe microbiological, clinical and epidemiological aspects of a diphtheria outbreak that occurred in Maranhão, Brazil. The majority of the 27 confirmed cases occurred in partially (n = 16) or completely (n = 10) immunized children (n = 26). Clinical signs and characteristic symptoms of diphtheria such as cervical lymphadenopathy and pseudomembrane formation were absent in 48% and 7% of the cases, respectively. Complications such as paralysis of lower limbs were observed. Three cases resulted in death, two of them in completely immunized children. Microbiological analysis identified the isolates asCorynebacterium diphtheriaebiovar intermedius with a predominant PFGE type. Most of them were toxigenic and some showed a decrease in penicillin G susceptibility. In conclusion, diphtheria remains endemic in Brazil. Health professionals need to be aware of the possibility of atypical cases ofC. diphtheriaeinfection, including pharyngitis without pseudomembrane formation.
Film ab! Vorhang auf!
Authors: Libutzki Susanne , Pichl Sandra , Stahl Barbara , Steinbrück Ute
Published: May 2014

In der Pflege(aus)bildung bietet der Stoff vieler Spielfilme Anknüpfungspunkte für den Arbeitsalltag beruflich Pflegender. Wie die Auseinandersetzung didaktisch gestaltet werden kann, wird in folgendem Beitrag gezeigt.
eIF2B is a decameric guanine nucleotide exchange factor with a γ2ε2 tetrameric core
Authors: Gordiyenko Yuliya , Schmidt Carla , Jennings Martin D. , Matak-Vinkovic Dijana , Pavitt Graham D. , Robinson Carol V.
Published: May 2014

eIF2B facilitates and controls protein synthesis in eukaryotes by mediating guanine nucleotide exchange on its partner eIF2. We combined mass spectrometry (MS) with chemical cross-linking, surface accessibility measurements and homology modelling to define subunit stoichiometry and interactions within eIF2B and eIF2. Although it is generally accepted that eIF2B is a pentamer of five non-identical subunits (α–ε), here we show that eIF2B is a decamer. MS and cross-linking of eIF2B complexes allows us to propose a model for the subunit arrangements within eIF2B where the subunit assembly occurs through catalytic γ- and ε-subunits, with regulatory subunits arranged in asymmetric trimers associated with the core. Cross-links between eIF2 and eIF2B allow modelling of interactions that contribute to nucleotide exchange and its control by eIF2 phosphorylation. Finally, we identify that GTP binds to eIF2Bγ, prompting us to propose a multi-step mechanism for nucleotide exchange.
Involvement of the Wbp pathway in the biosynthesis of Porphyromonas gingivalis lipopolysaccharide with anionic polysaccharide
Authors: Shoji Mikio , Sato Keiko , Yukitake Hideharu , Naito Mariko , Nakayama Koji
Published: May 2014

The periodontal pathogen Porphyromonas gingivalis has two different lipopolysaccharide (LPS) molecules, O-LPS and A-LPS. We have recently shown that P. gingivalis strain HG66 lacks A-LPS. Here, we found that introduction of a wild-type wbpB gene into strain HG66 restored formation of A-LPS. Sequencing of the wbpB gene from strain HG66 revealed the presence of a nonsense mutation in the gene. The wbpB gene product is a member of the Wbp pathway, which plays a role in the synthesis of UDP-ManNAc(3NAc)A in Pseudomonas aeruginosa; UDP-ManNAc(3NAc)A is sequentially synthesized by the WbpA, WbpB, WbpE, WbpD and WbpI proteins. We then determined the effect of the PGN_0002 gene, a wbpD homolog, on the biosynthesis of A-LPS. A PGN_0002-deficient mutant demonstrated an A-LPS biosynthesis deficiency. Taken together with previous studies, the present results suggest that the final product synthesized by the Wbp pathway is one of the sugar substrates necessary for the biosynthesis of A-LPS.
The taming of oxygen: biocatalytic oxyfunctionalisations
Authors: Holtmann Dirk , Fraaije Marco W. , Arends Isabel W. C. E. , Opperman Diederik J. , Hollmann Frank
Published: May 2014

The scope and limitations of oxygenases as catalysts for preparative organic synthesis is discussed.
Cleavage of unactivated amide bonds by ammonium salt-accelerated hydrazinolysis
Authors: Shimizu Yuhei , Noshita Megumi , Mukai Yuri , Morimoto Hiroyuki , Ohshima Takashi
Published: May 2014

Ammonium salt-accelerated hydrazinolysis of unactivated amides proceeds at 50–70 °C to give amines with broad substrate scope.
A polyrotaxane-like metal–organic framework exhibiting luminescent sensing of Eu3+cations and proton conductivity
Authors: Song Bai-Qiao , Wang Xin-Long , Yang Guang-Sheng , Wang Hai-Ning , Liang Jun , Shao Kui-Zhan , Su Zhong-Min
Published: May 2014

The first example of a 6-fold polyrotaxane-like microporous interpenetrating network was prepared, exhibiting luminescent sensing of Eu3+cations and proton conductivity.
Growth, linear and nonlinear optical properties of a DSSS crystal
Authors: Ramaclus Jerald V. , Thomas Tina , Ramesh S. , Sagayaraj P. , Michael E. A.
Published: May 2014

The morphology of the DSSS crystal has been modified from bulk parallelepiped to an elongated cuboid shape by changing the supersaturation from high to low. The growth dynamics, defect mechanisms, linear and nonlinear properties are discussed in detail.
Spontaneous dimer states of the Aβ21–30decapeptide
Authors: Smith Micholas Dean , Srinivasa Rao J. , Cruz Luis
Published: May 2014

Computational examination of the spontaneous dimerization of Aβ21–30and stability measures of the resulting parallel and anti-parallel aligned dimers.
C K-edge NEXAFS spectra of graphene with physical and chemical defects: a study based on density functional theory
Authors: Ehlert Christopher , Unger Wolfgang E. S. , Saalfrank Peter
Published: May 2014

We present density functional based simulations of NEXAFS spectra to model the effects of plasma treatment.
The effect of nitrogen doping on mercury oxidation/chemical adsorption on the CuCo2O4(110) surface: a molecular-level description
Authors: Mei Zhijian , Fan Maohong , Zhang Ruiqing , Shen Zhemin , Wang Wenhua
Published: May 2014

Nitrogen doping can greatly increase Ow activity, which affects the mercury oxidation/chemical adsorption abilities on the CuCo2O4(110) surface.
Pre-lithiation of onion-like carbon/MoS2nano-urchin anodes for high-performance rechargeable lithium ion batteries
Authors: Wang Ye , Xing Guozhong , Han Zhao Jun , Shi Yumeng , Wong Jen It , Huang Zhi Xiang , Ostrikov Kostya (Ken) , Yang Hui Ying
Published: May 2014

Pre-lithiation of a MoS2/OLC nano-urchin hybrid structure shows great potential in developing good performance lithium ion batteries with ultra-high initial coulombic efficiency.
The luminescence of ion-exchangeable defect pyrochlore KNbWO6·H2O:xEu3+
Authors: Han Yong Nam , Jiao Shihui , Xu Man , Xu Yaohua , Pang Guangsheng , Feng Shouhua
Published: May 2014

The defect pyrochlore structure with accessible channels serves as a favorite host to incorporate the Eu3+ ion.
Dimeric complexes of rare-earth substituted Keggin-type silicotungstates: syntheses, crystal structure and solid state properties
Authors: Saini Mukesh Kumar , Gupta Rakesh , Parbhakar Swati , Kumar Mishra Anil , Mathur Rashi , Hussain Firasat
Published: May 2014

A series of rare-earth substituted dimeric complexes of Keggin-type silicotungstates were synthesized and characterized using various analytical techniques like SCXD, photoluminescence,1H and13C NMR spectroscopy.
Formation of a gold–carbon dot nanocomposite with superior catalytic ability for the reduction of aromatic nitro groups in water
Authors: Mondal Pritiranjan , Ghosal Krishanu , Bhattacharyya Swarup Krishna , Das Mithun , Bera Abhijit , Ganguly Debabrata , Kumar Pawan , Dwivedi Jaya , Gupta R. K. , Martí Angel A. , Gupta Bipin Kumar , Maiti Subhabrata
Published: May 2014

Probing on the synthesis of gold-carbon dot nanocomposite for catalytic reduction of aromatic nitrogroup.
Conformational complexity of morphine and morphinum in the gas phase and in water. A DFT and MP2 study
Authors: Møllendal Harald , Balcells David , Eisenstein Odile , Syversen Linda , Rachel Suissa Michal
Published: May 2014

The structural and conformational properties of morphine and protonated morphine (morphinum) in the gas phase and in water solution have been explored with quantum calculations.
Structures and morphologies of biocompatible and biodegradable block copolymers
Authors: Huang Shaoyong , Jiang Shichun
Published: May 2014

Biocompatible and biodegradable block copolymers (BBCPs) have become increasingly important in polymer science, and have many potential applications in polymer materials.
Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals
Authors: Heinl Sebastian , Scheer Manfred
Published: May 2014

The sterically encumbered complex [CpBIGFe(CO)2]2 (1) (CpBIG = pentakis(4-n-butylphenyl)cyclopentadienyl) forms in solution radicals, which enable the selective cleavage of a E–E single bond (E = P, As) in the cage molecules P4, As4, P4S3 and P4Se3, respectively, already at room temperature.
Enhanced water flux in vertically aligned carbon nanotube arrays and polyethersulfone composite membranes
Authors: Li Shaoyun , Liao Gaomin , Liu Zhipeng , Pan Yuanyuan , Wu Qiang , Weng Yuyan , Zhang Xiaohua , Yang Zhaohui , Tsui Ophelia K. C.
Published: May 2014

A vertically aligned carbon nanotube array structure enhances water flux in polyethersulfone ultra-filtration membranes.
The role of lipopolysaccharide in Helicobacter pylori pathogenesis.
Authors: Moran AP
Published: May 2014

The present review describes the structure, attributes and properties of Helicobacter pylori lipopolysaccharides (LPS), and their potential role in pathogenesis. Although possessing certain attributes similar to those of LPS of other Gram‐negative bacteria, H. pylori LPS possess unique biological properties. H. pylori LPS has, in general, low immunological activity and this property may aid the persistence of infection. The O‐specific chain of the LPS mimics Lewis blood group antigens in structure. As these antigens are present in the gastric mucosa, the expression of Lewis antigens on the bacterial surface may camouflage the bacterium and aid survival of H. pylori. Alternatively, since autoantibodies against human antral gastric mucosa have been observed in H. pylori‐positive patients, the relevance of LPS in the development of autoimmunity in H. pylori‐associated disease requires further investigation. H. pylori LPS in part mediates the binding of the bacterium to laminin, and interferes with gastric cell receptor‐ laminin interaction, thereby potentially contributing to the loss of mucosal integrity. In vitro observations of inhibition of sulphated mucin synthesis and stimulation of pepsinogen secretion by LPS suggest new mechanisms for H. pylori‐induced mucosal damage. Nevertheless, further in vivo studies are required to support their pathogenic role.
Heat shock proteins of Helicobacter pylori.
Authors: Kansau I , Labigne A
Published: May 2014

As in any other bacterium, Helicobacter pylori synthesizes two heat shock proteins, the HspA (GroES or Hsp 10 homologue) and the HspB (GroEL or Hsp60 homologue). This article summarizes the present knowledge of genetics, function and the antigenic, immunogenic and protective properties of these two abundant proteins. H. pylori HspA and HspB antigens have vital functions for the bacterium; they share most of the bacterial chaperonin characteristics. However, the unique structure of HspA and its unique capacity to specifically bind nickel ions, strongly suggest an essential role of HspA with regard to the urease metallo‐enzyme. The putative role of the H. pylori Hsp antigens in autoimmunity is also addressed.
Role of vacA and the cagA locus of Helicobacter pylori in human disease.
Authors: Blaser MJ
Published: May 2014

Helicobacter pylori are 'slow' bacteria that may cause disease decades after acquisition. Bacterial pathogenesis often involves features, including conserved genes, shared by many different species. As such, despite its unique niche in the human body, the pathogenesis of H. pylori infection most likely shares mechanisms with other bacteria. In this paper, two genes, vacA and cagA, which appear unique to H. pylori and which may reflect the particular requirements of H. pylori for long‐ term residence in the human stomach will be discussed. At present the function of these genes for H. pylori is not known yet other characteristics have been defined.
Helicobacter pylori exotoxins and gastroduodenal diseases associated with cytotoxic strain infection.
Authors: Figura N
Published: May 2014

This paper describes the characteristics of exotoxins produced by Helicobacter pylori, and in particular the vacuolating toxin (VacA) and the cytotoxin‐associated protein (CagA). The possible association between infection by strains of certain phenotypic or genomic types and the seriousness of gastroduodenal diseases is discussed. Helicobacter pylori induces various morphological changes in cells in vitro, but only infection by strains which induce cytovacuolation has been studied at present. In its native form, VacA is a protein aggregate made of subunits with a mass of 95 kDa. In vitro it stimulates a cellular v‐ type ATPase present on the endosomes and creates an acidic environment inside the vacuoles. It also alters in vitro a K(+)‐dependent phosphatase activity and could impair the flux of sodium through the cells. Purified VacA causes ulceration in mice; experimental infection in mice with strains which also express the CagA protein causes gastric erosions, vacuolation and epithelial and stromal polymorphonuclear (PMN) cell infiltration. In vivo vacuolation can be observed in gastric cells from patients infected with type I (VacA‐CagA positive) H. pylori. CagA is a protein of 128‐140 kDa molecular weight, noncytotoxic and highly immunogenic. It is coexpressed in approximately 70% of cytotoxin‐producing strains. In CagA positive strain infection, increased levels of interleukin‐8 (IL‐8) are secreted by the colonized gastric mucosa. Patients infected by cytotoxic strains and/or patients with anti‐CagA antibodies are more likely to have active gastritis, and are more likely to develop peptic ulcer or gastric cancer. The different outcomes of infection could be determined by host factors, diet, or by the age at which infection is acquired.
The relationships between chronic gastritis and gastric acid secretion.
Authors: Sipponen P , Kekki M , Seppala K , Siurala M
Published: May 2014

Helicobacter pylori is the main cause of chronic gastritis in humans. Autoimmune mechanisms and Helicobacter heilmannii infection are other causes, both of which are of minor significance in a worldwide perspective. Atrophic gastritis is a quite common late consequence of H. pylori gastritis and will develop on a multifactorial basis, but not in all infected persons. The evolution of atrophic gastritis is a slow and gradually worsening process leading to subtypes, in which the antrum and corpus are affected to dissimilar extent and degree. The distal part of the stomach is the site where the atrophic sequelae (atrophic gastritis and intestinal metaplasia) of H. pylori infection occur most often. A minority of cases develop corpus‐limited, or corpus‐ predominant atrophic gastritis. Along with the worsening of atrophic gastritis, inflammation and density of colonization of the mucosa by H. pylori tend to decrease in grade. In general, the degree of gastric mucosal inflammation, acute and chronic, is positively related to the degree of colonization of the mucosa by H. pylori. Acid secretion and local acidity are factors which modulate the ecology and density of colonization of H. pylori in the stomach, and may thus also modulate the evolution of chronic gastritis into topographically dissimilar subtypes. Acid secretion varies among individuals, this variation being perhaps caused by hereditary differences in parietal cell mass, or by differences in the sensitivity of parietal cells to hormonal or neural stimuli. It is hypothesized that in genuine hypersecretors, H. pylori colonization and subsequent gastritis with atrophic and metaplastic sequelae may be limited to the antrum, while in hyposecretors gastritis predominates in the corpus. In the latter, atrophic gastritis in the corpus then leads to further impairment of acid output. In these cases, H. pylori infection and gastritis may, finally, heal in the antrum, resulting in hypochlorhydria and atrophic gastritis that is limited to, or predominant in the corpus.
Gastric metaplasia: its role in duodenal ulceration.
Authors: Walker MM , Dixon MF
Published: May 2014

There is good evidence to suggest that gastric metaplasia in the proximal duodenum and Helicobacter pylori gastritis are essential requirements for the development of duodenal ulceration in most cases. Gastric metaplasia is most likely to be a defence response or adaptation to excess acid reaching the duodenum. The appearance of gastric‐type epithelium over the duodenal villi probably results from substitution by cells migrating from Brunner's gland ducts. These metaplastic foci provide sites for colonization by H. pylori passing through the duodenum; the organisms do not attach to native duodenal epithelial cells. Having colonized the metaplastic areas, H. pylori provokes an active chronic inflammatory response akin to that seen in the gastric mucosa. Active chronic duodenitis leads to a weakening of mucosal defence against acid‐peptic attack, and erosion and ulceration may ensue. Healing of ulcers by conventional acid‐reducing treatments does not influence the extent of gastric metaplasia, (although there may be some reduction with long‐term proton pump inhibitors); nor do such regimens affect the background duodenitis. Only with eradication of H. pylori is there resolution of inflammation, but studies to date indicate that eradication alone has no substantial effect on the prevalence or extent of gastric metaplasia. Nevertheless the elimination of H. pylori appears to remove one of the essential co‐ factors for duodenal ulceration and the patient can be considered cured, despite the persistence of gastric metaplasia.
Dual‐band slot‐coupled patch antenna with broad bandwidth and high directivity for WLAN access point
Authors: Yeom Insu , Kim Jin Myung , Jung Chang Won
Published: May 2014

A dual‐band slot‐coupled patch antenna for the external access point of the wireless local area network (WLAN) band is implemented. The antennas consist of two radiators on three layers. The first radiator is a slotted bow‐tie antenna operating at the 2.4–2.483 GHz band. The second radiator is a patch antenna with parasitic elements operating at 4.095–5.845 GHz. To enhance the bandwidth, a coupled feeding was used in the first radiator and a parasitic patch was used in the second radiator. To improve the directivity and isolation in both the radiators a parasitic patch and chock were used. The peak gain was more than 6 dBi in the first antenna and more than 8 dBi in the second antenna.
Triple band‐notched aperture UWB antenna using hollow‐cross‐loop resonator
Authors: Liu Ying , Chen Zhe , Gong Shuxi
Published: May 2014

A rectangle‐shaped aperture antenna for ultra‐wideband (UWB) applications which can prevent the interference problems is presented. By attaching a hollow‐cross‐loop resonator (HCLR), triple‐notched frequency bands centred at 3.5, 5.7 and 8.2 GHz are obtained. The HCLR is loaded in the aperture over the microstrip feedline. The proposed antenna has been successfully simulated and measured. Based on the results, it is shown that the proposed antenna yields an impedance bandwidth of 2.55–12 GHz with a voltage standing wave ratio (VSWR) < 2, except for the triple‐notched bands of 3.15–3.85 GHz (WiMAX band), 5.4–6.1 GHz (WLAN band) and 7.8–9.3 GHz (X‐band satellite communication).
Compact dual‐band power divider based on dual composite right/left‐handed transmission line
Authors: Wu Guo‐cheng , Wang Guangming , Sun Jia‐jia , Gao Xiang‐jun , Wang Ya‐wei
Published: May 2014

A compact dual‐band power divider based on a dual composite right/left‐handed transmission line is presented. The measured results show that for the presented power divider operating at 1.9 GHz with a 94.2% bandwidth (1.00–2.78 GHz) and at 6.6 GHz with a 12.9% bandwidth (6.25–7.10 GHz), in which the return loss is <−10 dB, the variation of measured |S21| and |S31| is within 3 ± 0.5 dB. Compared with the conventional transmission line power divider operating at 1.9 GHz, the presented one not only realises dual bands but also realises a 24% size reduction.