bluuebunny/crossref_metadata_2025 huggingface dataset:
Fecal microbiota transplantation as therapy for inflammatory bowel disease: A systematic review and meta-analysis
Authors: Colman Ruben J. , Rubin David T.
Published: September 2014

Background and aims: Fecal microbiota transplantation (FMT) has gained interest as a novel treatment option for inflammatory bowel diseases (IBD). While publications describing FMT as therapy for IBD have more than doubled since 2012, research that investigates FMT treatment efficacy has been scarce. We conducted a systematic review and meta-analysis to evaluate the efficacy of FMT as treatment for patients with IBD.

Methods: A systematic literature search was performed through May 2014. Inclusion criteria required FMT as the primary therapeutic agent. Clinical remission (CR) and/or mucosal healing were defined as primary outcomes. Studies were excluded if they did not report clinical outcomes or included patients with infections.

Results: Eighteen studies (9 cohort studies, 8 case studies and 1 randomized controlled trial) were included. 122 patients were described (79 ulcerative colitis (UC); 39 Crohn's disease (CD); 4 IBD unclassified). Overall, 45% (54/119) of patients achieved CR during follow-up. Among the cohort studies, the pooled proportion of patients that achieved CR was 36.2% (95% CI 17.4%–60.4%), with a moderate risk of heterogeneity (Cochran's Q, P = 0.011; I2 = 37%). Subgroup analyses demonstrated a pooled estimate of clinical remission of 22% (95% CI 10.4%–40.8%) for UC (P = 0.37; I2 = 0%) and 60.5% (95% CI 28.4%–85.6%) for CD (P = 0.05; I2 = 37%). Six studies performed microbiota analysis.

Conclusions: This analysis suggests that FMT is a safe, but variably efficacious treatment for IBD. More randomized controlled trials are needed and should investigate frequency of FMT administration, donor selection and standardization of microbiome analysis.
nuMap: A Web Platform for Accurate Prediction of Nucleosome Positioning
Authors: Alharbi Bader A. , Alshammari Thamir H. , Felton Nathan L. , Zhurkin Victor B. , Cui Feng
Published: September 2014

Nucleosome positioning is critical for gene expression and of major biological interest. The high cost of experimentally mapping nucleosomal arrangement signifies the need for computational approaches to predict nucleosome positions at high resolution. Here, we present a web-based application to fulfill this need by implementing two models, YR and W/S schemes, for the translational and rotational positioning of nucleosomes, respectively. Our methods are based on sequence-dependent anisotropic bending that dictates how DNA is wrapped around a histone octamer. This application allows users to specify a number of options such as schemes and parameters for threading calculation and provides multiple layout formats. The nuMap is implemented in Java/Perl/MySQL and is freely available for public use at http://numap.rit.edu. The user manual, implementation notes, description of the methodology and examples are available at the site.
Harmonized benchmark labels of the hippocampus on magnetic resonance: The EADC‐ADNI project
Authors: Bocchetta Martina , Boccardi Marina , Ganzola Rossana , Apostolova Liana G. , Preboske Gregory , Wolf Dominik , Ferrari Clarissa , Pasqualetti Patrizio , Robitaille Nicolas , Duchesne Simon , Jack Clifford R. , Frisoni Giovanni B. ,   EADC‐ADNI Working Group on The Harmonized Protocol for Manual Hippocampal Segmentation and for the Alzheimer's Disease Neuroimaging Initiative, Bartzokis George , DeCarli Charles , deToledo‐Morrell Leyla , Fellgiebel Andreas , Firbank Michael , Gerritsen Lotte , Henneman Wouter , Killiany Ronald J. , Malykhin Nikolai , Pruessner Jens C. , Soininen Hilkka , Wang Lei , Watson Craig , Wolf Henrike
Published: September 2014

Background

A globally harmonized protocol (HarP) for manual hippocampal segmentation based on magnetic resonance has been recently developed by a task force from European Alzheimer's Disease Consortium (EADC) and Alzheimer's Disease Neuroimaging Initiative (ADNI). Our aim was to produce benchmark labels based on the HarP for manual segmentation.

Methods

Five experts of manual hippocampal segmentation underwent specific training on the HarP and segmented 40 right and left hippocampi from 10 ADNI subjects on both 1.5 T and 3 T scans. An independent expert visually checked segmentations for compliance with the HarP. Descriptive measures of agreement between tracers were intraclass correlation coefficients (ICCs) of crude volumes and similarity coefficients of three‐dimensional volumes.

Results

Two hundred labels have been provided for the 20 magnetic resonance images. Intra‐ and interrater ICCs were >0.94, and mean similarity coefficients were 1.5 T, 0.73 (95% confidence interval [CI], 0.71–0.75); 3 T, 0.75 (95% CI, 0.74–0.76).

Conclusion

Certified benchmark labels have been produced based on the HarP to be used for tracers' training and qualification.
SNAIL1 combines competitive displacement of ASCL2 and epigenetic mechanisms to rapidly silence the EPHB3 tumor suppressor in colorectal cancer
Authors: Rönsch Kerstin , Jägle Sabine , Rose Katja , Seidl Maximilian , Baumgartner Francis , Freihen Vivien , Yousaf Afsheen , Metzger Eric , Lassmann Silke , Schüle Roland , Zeiser Robert , Michoel Tom , Hecht Andreas
Published: September 2014

EPHB3 is a critical cellular guidance factor in the intestinal epithelium and an important tumor suppressor in colorectal cancer (CRC) whose expression is frequently lost at the adenoma‐carcinoma transition when tumor cells become invasive. The molecular mechanisms underlying EPHB3 silencing are incompletely understood. Here we show that EPHB3 expression is anti‐correlated with inducers of epithelial‐mesenchymal transition (EMT) in primary tumors and CRC cells. In vitro, SNAIL1 and SNAIL2, but not ZEB1, repress EPHB3 reporter constructs and compete with the stem cell factor ASCL2 for binding to an E‐box motif. At the endogenous EPHB3 locus, SNAIL1 triggers the displacement of ASCL2, p300 and the Wnt pathway effector TCF7L2 and engages corepressor complexes containing HDACs and the histone demethylase LSD1 to collapse active chromatin structure, resulting in rapid downregulation of EPHB3. Beyond its impact on EPHB3, SNAIL1 deregulates markers of intestinal identity and stemness and in vitro forces CRC cells to undergo EMT with altered morphology, increased motility and invasiveness. In xenotransplants, SNAIL1 expression abrogated tumor cell palisading and led to focal loss of tumor encapsulation and the appearance of areas with tumor cells displaying a migratory phenotype. These changes were accompanied by loss of EPHB3 and CDH1 expression. Intriguingly, SNAIL1‐induced phenotypic changes of CRC cells are significantly impaired by sustained EPHB3 expression both in vitro and in vivo. Altogether, our results identify EPHB3 as a novel target of SNAIL1 and suggest that disabling EPHB3 signaling is an important aspect to eliminate a roadblock at the onset of EMT processes.
The anthelmintic efficacy of natural plant cysteine proteinases againstHymenolepis microstoma in vivo
Authors: Mansur F. , Luoga W. , Buttle D.J. , Duce I.R. , Lowe A. , Behnke J.M.
Published: September 2014

Little is known about the efficacy of cysteine proteinases (CP) as anthelmintics for cestode infectionsin vivo.Hymenolepis microstomais a natural parasite of house mice, and provides a convenient model system for the assessment of novel drugs for anthelmintic activity against cestodes. The experiments described in this paper indicate that treatment ofH. microstomainfections in mice with the supernatant of papaya latex (PLS), containing active cysteine proteinases, is only minimally efficacious. The statistically significant effects seen on worm burden and biomass showed little evidence of dose dependency, were temporary and the role of cysteine proteinases as the active principles in PLS was not confirmed by specific inhibition with E-64. Worm fecundity was not affected by treatment at the doses used. We conclude also that thisin vivohost–parasite system is not sensitive enough to be used reliably for the detection of cestocidal activity of compounds being screened as potential, novel anthelmintics.
AssistOn-Mobile: a series elastic holonomic mobile platform for upper extremity rehabilitation
Authors: Sarac Mine , Ergin Mehmet Alper , Erdogan Ahmetcan , Patoglu Volkan
Published: September 2014

We present the design, control, and human–machine interface of a series elastic holonomic mobile platform,AssistOn-Mobile, aimed to administer therapeutic table-top exercises to patients who have suffered injuries that affect the function of their upper extremities. The proposed mobile platform is a low-cost, portable, easy-to-use rehabilitation device targeted for home use. In particular,AssistOn-Mobileconsists of a holonomic mobile platform with four actuated Mecanum wheels and a compliant, low-cost, multi-degrees-of-freedom series elastic element acting as its force sensing unit. Thanks to its series elastic actuation,AssistOn-Mobileis highly backdriveable and can provide assistance/resistance to patients, while performing omni-directional movements on plane.AssistOn-Mobilealso features Passive Velocity Field Control (PVFC) to deliver human-in-the-loop contour tracking rehabilitation exercises. PVFC allows patients to complete the contour-tracking tasks at their preferred pace, while providing the proper amount of assistance as determined by the therapists. PVFC not only minimizes the contour error but also does so by rendering the closed-loop system passive with respect to externally applied forces; hence, ensures the coupled stability of the human-robot system. We evaluate the feasibility and effectiveness ofAssistOn-Mobilewith PVFC for rehabilitation and present experimental data collected during human subject experiments under three case studies. In particular, we utilizeAssistOn-Mobilewith PVFC (a) to administer contour following tasks where the pace of the tasks is left to the control of the patients, so that the patients can assume a natural and comfortable speed for the tasks, (b) to limit compensatory movements of the patients by integrating a RGB-D sensor to the system to continually monitor the movements of the patients and to modulate the task speeds to provide online feedback to the patients, and (c) to integrate a Brain–Computer Interface such that the brain activity of the patients is mapped to the robot speed along the contour following tasks, rendering an assist-as-needed protocol for the patients with severe disabilities. The feasibility studies indicate thatAssistOn-Mobileholds promise in improving the accuracy and effectiveness of repetitive movement therapies, while also providing quantitative measures of patient progress.
Prevalence of obesity and metabolic syndrome in a long-stay psychiatric unit
Authors: Udo Itoro , Mooney Mary , Newman Alison
Published: September 2014

Objective:The aim of this study was to determine the prevalence of metabolic syndrome and obesity as defined by Body Mass Index (BMI) in a long-stay psychiatric unit where all care is provided by the psychiatric team.

Method:All residents in this long-stay unit were screened. Their BMI was calculated. Waist circumference and blood investigations were done. Ward records were used to determine those who had been previously diagnosed with hypertension and diabetes. The ATP 111 criteria were used to determine the prevalence of metabolic syndrome.

Results:We found a prevalence of 33% for BMI obesity and a prevalence of 66% for metabolic syndrome. These are higher than those of the general Irish middle aged population and the accepted estimate of a general psychiatric population. It is also higher than that of a previous published study on an Irish long-stay psychiatric ward population.

Conclusion:There is high prevalence of BMI obesity and metabolic syndrome in long-stay psychiatric residents. This has the potential to impact significantly on physical morbidity and mortality. People with severe and enduring mental illness should have access to primary care and other health services on the same basis as any other citizen.
Formula One Night Race in Singapore: A 4-Year Analysis of a Planned Mass Gathering
Authors: Ho Weng Hoe , Koenig Kristi L. , Quek Lit Sin
Published: September 2014

Introduction

Every mass gathering presents its unique characteristics that influence medical resource utilization. Medical planning for mass gatherings involves both use of predictive models and analysis of data from similar past events. This study aimed to describe the medical presentations and the unique challenges influencing medical planning at the Formula One Singtel Singapore Grand Prix, the inaugural Formula One night race. Patient presentation characteristics, rates of patient presentation, and transportation to hospitals in association with attendance and heat index were evaluated over a 4-year period from 2009 through 2012. This will facilitate medical planning for similar events.

Methods

A database containing patient presentations from the 3-day Singapore Grand Prix in 2009, 2010, 2011, and 2012 was analyzed. Patient presentations were categorized by time of day and presenting complaints. Patient presentation rates (PPRs) were analyzed to determine correlation with attendance numbers and heat index.

Results

The average annual attendance at the Singapore Grand Prix was 81,992 from 2009 through 2012. The average PPR was 2.17 (SD=0.63)/1,000 attendees. The average transport to hospital rate (TTHR) was 0.033 (SD=0.026)/1,000 attendees. While medical coverage was provided at the circuit park between 2:00 pm to 1:00 am daily, most attendees presented from 5:00 pm to 10:00 pm. The most common presenting complaints included: musculoskeletal conditions (59%) and heat related illnesses (19%). There was no correlation between attendance numbers and PPR and the heat index and PPR.

Conclusion

Musculoskeletal conditions and heat-related illnesses were the most common presenting complaints at the Singapore Grand Prix from 2009-2012. The lack of correlation between heat index and PPR is a new finding compared with prior studies. This could be due to the minimal heat variation that occurred during the night event. Further study is required to refine models that can be used in specialized events.

HoWH, KoenigKL, QuekLS. Formula One night race in Singapore: a 4-year analysis of a planned mass gathering. Prehosp Disaster Med. 2014;29(5):1-5.
Food portion sizes and dietary quality in Irish children and adolescents
Authors: Lyons Jacqueline , Walton Janette , Flynn Albert
Published: September 2014

Objective

To describe relationships between the portion sizes of a range of foods commonly consumed by Irish children and adolescents and key indicators of dietary quality on the days they were consumed.

Design

Cross-sectional data from the Irish National Children’s Food Survey (2003–2004; 7 d weighed record) and National Teens’ Food Survey (2005–2006; 7 d semi-weighed record) were used to compare mean values for a number of dietary quality indicators (e.g. energy-adjusted intakes of saturated fat, dietary fibre and Na) across portion size tertiles for a range of foods, on the days the foods were consumed.

Setting

The Republic of Ireland.

Subjects

Nationally representative samples of children aged 5–12 years (n594) and adolescents aged 13–17 years (n441).

Results

Relationships between food portion sizes and indicators of dietary quality on the days the foods were consumed were similar in both children and adolescents. Lower dietary energy density and saturated fat intakes, and higher dietary fibre intakes, were observed on the days larger portions of fruit and boiled potatoes were consumed. Higher dietary energy density and lower micronutrient intakes were observed on the days larger portions of sugar-sweetened beverages were consumed. Higher Na intakes were observed on the days larger portions of frying meats were consumed.

Conclusions

The current work identifies foods for which larger portion sizes may be associated with positive dietary attributes, as well as the opposite. Findings will form an evidence base from which more specific dietary guidance relating to portion size may be developed for Irish children and adolescents.
Consumer taste tests and milk preference in low-income, urban supermarkets
Authors: Weiss Stephanie , Davis Erica , Wojtanowski Alexis C , Foster Gary D , Glanz Karen , Karpyn Allison
Published: September 2014

Objective

To explore shoppers’ responses to the taste of different types of cow’s milk in a blind taste test and to examine their willingness to purchase lower-fat milk as part of an in-store marketing intervention.

Design

Participants were recruited on-site in the supermarket to participate in a blind taste test of three varieties of cow’s milk and asked to guess what type they sampled.

Setting

The taste testing was conducted as part of the Healthy Retail Solution (HRS) intervention that took place in four large supermarkets in Philadelphia, PA, USA over the course of six months.

Subjects

Adults (n 444) at participating Philadelphia supermarkets.

Results

The majority of participants at all stores reported typically purchasing higher-fat milk. Forty per cent of participants reported buying whole milk, 38 % purchased milk with 2 % fat. Very few participants correctly identified all three milk samples during the taste test (6·9 %) and a majority of participants were unable to identify the type of milk they self-reported typically purchased.

Conclusions

Most consumers could not accurately distinguish between various types of milk. Taste testing is a promising strategy to introduce lower-fat milks to consumers who have not tried them before. Campaigns to purchase skimmed, 1 % or 2 % milk may result in significant energy reduction over time and can serve as a simple way to combat overweight and obesity.
Use of an integrated Atlas of Mental Health Care for evidence informed policy in Catalonia (Spain)
Authors: Fernandez A. , Salinas-Perez J. A. , Gutierrez-Colosia M. R. , Prat-Pubill B. , Serrano-Blanco A , Molina C. , Jorda E. , Garcia-Alonso C. R. , Salvador-Carulla L.
Published: September 2014

Background.

This paper aims to present the Integrated Atlas of Mental Health of Catalonia (2010) focusing on: (a) the importance of using a taxonomy-based coding and standard system of data collection when assessing health services; and (b) its relevance as a tool for evidence-informed policy.

Method.

This study maps all the care-related services for people with mental disorders available in Catalonia in 2010, using the ‘Description and Evaluation of Services and Directories in Europe for long-term care’ (DESDE-LTC). The unit of analysis is the Basic Stable Input of Care (BSIC), which is the minimal organisation unit composed by a set of inputs with temporal stability. We presented data on: (a) availability of BSICs and their capacity; (b) the adequacy of the provision of care, taking into account availability and accessibility; (c) the evolution of BSCIs from 2002 to 2010; and (d) the perceived relevance of Atlas of Mental Health as a tool for evidence-informed policy.

Results.

We identified a total of 639 BSICs. A lack of Health services was detected in highly rural areas, although there was moderate availability of Social Services. Overall, more than 80% of the small mental health areas in Catalonia had an adequate core mental health service. Since 2002 the availability of mental health services has increased. Decision makers found the Atlas a useful and relevant tool for evidence informed policy.

Conclusions.

Policy makers can use Atlases to detect gaps and inequities in the provision of care for people with mental health needs.
Developmental Differences in Visual and Auditory Attention: a Cross-Sectional Study
Authors: Günther Thomas , Konrad Kerstin , Häusler Joachim , Saghraoui Hafida , Willmes Klaus , Sturm Walter
Published: September 2014

The purpose of this cross-sectional study was to compare performance on visual and auditory attention tasks along with the developmental trajectories of these systems. Participants between 7 and 77 years of age were examined: 490 subjects (229 males and 261 females) completed the visual and auditory part of a focused-attention task, and 688 subjects (320 males and 368 females) were tested with an alertness task in the two different modalities. Shorter reaction times were observed in the visual condition compared to the auditory condition. This difference was particularly large for children and for the more complex, focused-attention task. However, the gap between the two modalities decreased with age, resulting in significant interaction effects between age and modality for both attention tasks. Attentional performance increased with age, and maximum performance was achieved in early adulthood. For nearly all performance variables, no decrease could be detected with increasing age. In addition, the results of a principal components analysis suggest that, independent of modality, all alertness variables load on one component, whereas the performance variables of the visual and the auditory focused-attention task load on two separate components. Thus, our data suggest that visual and auditory attention rely on distinct attentional systems within the selectivity domain of attention and have distinct developmental trajectories.
Evaluation of Structural Equation Modeling Estimates of Reliability for Scales with Ordered Categorical Items
Authors: Yang Yanyun , Green Samuel B.
Published: September 2014

Different methods are reviewed for estimating reliability based on a single administration of a test consisting of ordered categorical items. The nonlinear SEM reliability coefficient appears more flexible than other methods because it is designed to assess the reliability of summed scores for ordered categorical items through the modeling of the item relationships. However, this method assumes that the variables underlying the ordered categorical items are normally distributed. We evaluated nonlinear and linear SEM reliability coefficients using a Monte Carlo study by manipulating factor structure, distribution of the continuous items, number of ordered categories, distribution of the ordered categorical items, and sample size. The nonlinear SEM reliability coefficient performed as well as or better than the linear SEM reliability coefficient in most conditions and was relatively robust to modest violations of the normality assumption. The nonlinear SEM reliability coefficient was substantially biased when categorical item distributions were extremely skewed and the skewness differed markedly across items. Bias in these coefficients may be diagnosable in practice by assessing model fit.
Colorimetric and ratiometric pH responses by the protonation of phenolate within hemicyanine
Authors: Miao Jia-Tao , Fan Chen , Shi Xiao-Yu , Sun Ru , Xu Yu-Jie , Ge Jian-Feng
Published: September 2014

The indolium–phenol based tetramethylene hemicyanine has colorimetric and ratiometric optical responses under acidic and basic conditions.
Design of anticoagulant surfaces based on cellulose nanocrystals
Authors: Ehmann Heike M. A. , Mohan Tamilselvan , Koshanskaya Maria , Scheicher Sylvia , Breitwieser Doris , Ribitsch Volker , Stana-Kleinschek Karin , Spirk Stefan
Published: September 2014

The anticoagulant activity of surfaces decorated with cellulose nanocrystals (CNCs) prepared via sulfuric acid hydrolysis, is explored.
Highly efficient and selective phosphorylation of amino acid derivatives and polyols catalysed by 2-aryl-4-(dimethylamino)pyridine-N-oxides – towards kinase-like reactivity
Authors: Murray James I. , Woscholski Rudiger , Spivey Alan C.
Published: September 2014

The chemoselective phosphorylation of hydroxyl containing amino acid derivatives and polyols by phosphoryl chlorides catalyzed by 2-aryl-4-(dimethylamino)pyridine-N-oxides is described.
Electrophilic iodine(i) compounds induced semipinacol rearrangement via C–X bond cleavage
Authors: Tsuji Nobuya , Kobayashi Yusuke , Takemoto Yoshiji
Published: September 2014

N-Iodosuccinimide and N-iodosaccharin proved to be efficient reagents for C–X bond cleavage of various α-silyloxyhalides, promoting semipinacol rearrangement.
Transfer and control of molecular chirality in the 1 : 2 host–guest supramolecular complex consisting of Mg(ii)bisporphyrin and chiral diols: the effect of H-bonding on the rationalization of chirality
Authors: Ikbal Sk. Asif , Brahma Sanfaori , Rath Sankar Prasad
Published: September 2014

A series of chiral diol substrate binds to a Mg(ii)bisporphyrin in an unusual endo–endo fashion due to inter-ligand H-bonding which eventually results in a remarkably high amplitude bisignate CD signal that is unprecedented for a 1 : 2 host–guest complex having a rigid bisporphyrin framework.
A rapid and sensitive detection of HBV DNA using a nanopore sensor
Authors: Yao Fujun , Zhang Yani , Wei Yongfeng , Kang Xiaofeng
Published: September 2014

The simplest single-molecule nanopore sensor can be used for the rapid and sensitive detection of pathogenic DNA at the single-base recognition level.
A specific probe for Hg2+ to delineate even H+ in pure aqueous buffer/Hct116 colon cancer cells: Hg(ii)–η2-arene π-interaction and a TBET-based fluorescence response
Authors: Reddy G. Upendar , Ramu Vadde , Roy Sovan , Taye Nandaraj , Chattopadhyay Samit , Das Amitava
Published: September 2014

Ligand design that allows a Hg(ii)–η2-arene π-interaction as well as a TBET-based luminescence response to distinguish between the cellular uptake of Hg2+ and H+ in live Hct116 colon cancer cells.
Combinatorial effect of rolling and carbonaceous nanoparticles on the evolution of crystallographic texture and structural properties of ultra high molecular weight polyethylene
Authors: Kolanthai Elayaraja , Kalsar Rajib , Bose Suryasarathi , Suwas Satyam , Chatterjee Kaushik
Published: September 2014

Presence and shape of nanoparticles influences the crystallographic texture of ultra high molecular weight polyethylene during hot rolling.
Photochemistry of aldehyde clusters: cross-molecular versus unimolecular reaction dynamics
Authors: Shemesh Dorit , Blair Sandra L. , Nizkorodov Sergey A. , Gerber R. Benny
Published: September 2014

Semi-empirical on-the-fly dynamics simulations reveal the importance of cross-molecular reactions in the photochemistry of aldehyde clusters.
Fuel mediated solution combustion synthesis of ZnO supported gold clusters and nanoparticles and their catalytic activity and in vitro cytotoxicity
Authors: Chanu T. Inakhunbi , Muthukumar Thangavelu , Manoharan Periakaruppan T.
Published: September 2014

Well characterized atomic gold clusters and nanoparticles on the surface of ZnO are found to be effective against cancer cells.
Photoelectrochemical bioanalysis: the state of the art
Authors: Zhao Wei-Wei , Xu Jing-Juan , Chen Hong-Yuan
Published: September 2014

This review provides a panoramic snapshot of the state of the art in the dynamically developing field of photoelectrochemical bioanalysis.
Assemblies of salen-type oxidovanadium(iv) complexes: substituent effects and in vitro protein tyrosine phosphatase inhibition
Authors: Zabierowski Piotr , Szklarzewicz Janusz , Gryboś Ryszard , Modryl Barbara , Nitek Wojciech
Published: September 2014

A systematic study of 5,5′-disubstituted oxidovanadium(iv) complexes with a chiral salen type ligand showed variable assemblies of complex molecules dependent on steric and electronic factors of the substituents.
Reversible photochromic switching in a Ru(ii) polypyridyl complex
Authors: Unjaroen Duenpen , Kasper Johann B. , Browne W. R.
Published: September 2014

Fully reversible photoswitching of the coordination mode of the ligand MeN4Py (1,1-di(pyridin-2-yl)-N,N′-bis(pyridin-2-yl-methyl)-ethan-1-amine) in its ruthenium(ii) complex with visible light is reported.
Metal-free hydroacyloxylation and hydration reactions of ynamides: synthesis of α-acyloxyenamides and N-acylsulfonamides
Authors: Xu Shijie , Liu Jianquan , Hu Donghua , Bi Xihe
Published: September 2014

Two types of highly efficient and operationally simple reactions of ynamides under metal-free conditions are developed, including hydroacyloxylation and hydration, which afforded highly functionalized α-acyloxyenamides and pharmaceutically important N-acylsulfonamides in good to excellent yields.
Characterization and biodegradation behavior of bio-based poly(lactic acid) and soy protein blends for sustainable horticultural applications
Authors: Yang Shengzhe , Madbouly Samy A. , Schrader James A. , Srinivasan Gowrishankar , Grewell David , McCabe Kenneth G. , Kessler Michael R. , Graves William R.
Published: September 2014

Blends of PLA and soy protein polymer (SP.A) fulfill the functional requirements of horticulture crop containers and provide a fertilizer effect. Blending SP.A with PLA strongly increases the rate of biodegradation compared to pure PLA.
Effects of side chains on DNA binding, cell permeability, nuclear localization and cytotoxicity of 4-aminonaphthalimides
Authors: Zhou Jin , Chang Ang , Wang Linlin , Liu Ying , Liu Xiangjun , Shangguan Dihua
Published: September 2014

The guanidinoethyl group increases DNA binding, and decreases the cell permeability and cytotoxity; the dimethylaminopropyl group enhances the cell permeability and cytotoxity.
Controlled copolymerization of n-butyl acrylate with semifluorinated acrylates by RAFT polymerization
Authors: Chen Senbin , Binder Wolfgang H.
Published: September 2014

A new class of well-controlled semifluorinated copolymers were successfully synthesized via RAFT polymerization. We found that ESI-TOF MS was particularly useful for readily analysing our semifluorinated copolymers. The reactivity ratios of each pair of co-monomers are close to one.
Effects of preparation method on CeCu oxide catalyst performance
Authors: Zhou Guilin , Lan Hai , Song Ruyi , Xie Hongmei , Du Qinxiang
Published: September 2014

CeCu-HT, CeCu-PC, and CeCu-CA composite oxide catalysts were synthesized using hard-template, coprecipitation, and complex methods, respectively, and characterized by XRD, TEM, BET, XPS, and H2-TPR.
Redox-responsive cystamine conjugated chitin–hyaluronic acid composite nanogels
Authors: Ashwinkumar N. , Maya S. , Jayakumar R.
Published: September 2014

CD44 receptor mediated the uptake of DOX-HA-Cys-CNG by colon cancer cells and the redox responsive release of DOX by the intracellular GSH.
Functionalized nanospheres for efficient sequestration of cadmium ions
Authors: Ali Zarshad , Ahmad Rashid , Khan Aslam
Published: September 2014

This manuscript reports the synthesis, characterization and the subsequent application of thiosemicarbazide functionalized nanosilica spheres in Cd(ii) ion sequestration.
Stage‐dependent minimum bit resolution maps of full‐parallel pipelined FFT/IFFT architectures incorporated in real‐time optical orthogonal frequency division multiplexing transceivers
Authors: Zhang Junjie , Yuan Wenyan , Wang Kai , Cao Bingyao , Giddings Roger P. , Wang Min , Tang Jianming
Published: September 2014

Fast Fourier transform (FFT) and inverse FFT (IFFT) are the fundamental algorithms at the heart of optical orthogonal frequency division multiplexing (OOFDM) transceivers. The high digital signal processing (DSP) complexity has become one of the most significant obstacles to experimentally demonstrating real‐time high‐capacity OOFDM transceivers. In this study, extensive numerical explorations are undertaken, for the first time, of the impacts of each individual transceiver DSP element on the inverse error vector magnitude (IEVM) performance of the OOFDM transceivers incorporating full‐parallel pipelined FFT/IFFT architectures. More importantly, FFT/IFFT stage‐dependent minimum bit resolution maps are identified, based on which minimum bit resolutions of individual DSP elements of various FFT/IFFT stages can be easily selected according to chosen analogue‐to‐digital converter/digital‐to‐analogue converter resolutions. The validity and high accuracy of the identified maps are experimentally verified in field programmable gate array (FPGA)‐based platforms. In addition to great ease of practical OOFDM transceiver designs, the maps also significantly reduce the FPGA logic resource usage without degrading the overall transceiver IEVM performance.
Study of field-induced phase transitions in 0.68PbMg1/3Nb2/3O3–0.32PbTiO3 relaxor single crystal by polarized micro-Raman spectroscopy
Authors: Chen Chao , Deng Hao , Li Xiaobing , Zhang Haiwu , Huang Ting , Lin Di , Wang Sheng , Zhao Xiangyong , Hu Zhigao , Luo Haosu
Published: September 2014

Polarized Raman spectroscopy has been performed to investigate the effects of the electric field on 0.68PbMg1/3Nb2/3O3–0.32PbTiO3 (PMN–32PT) relaxor single crystal. Based on the group theory analysis, the Raman modes of PMN–32PT single crystal at zero-field are assigned to the monoclinic structure. The electric-field-evolution of Raman spectra reveal that a structural transition to tetragonal phase is initiated at a threshold electric field E1 and completed at higher field E2. In the intermediate field range from E1 to E2, the structure of the crystal is determined to be a coexistence of monoclinic and tetragonal phases. These results of the Raman spectra allow us to better understand the field-induced ultrahigh macroscopic strain in the relaxor ferroelectrics.
Early precipitation during cooling of an Al-Zn-Mg-Cu alloy revealed by in situ small angle X-ray scattering
Authors: Schloth P. , Wagner J. N. , Fife J. L. , Menzel A. , Drezet J.-M. , Van Swygenhoven H.
Published: September 2014

Early subnanometre cluster formation during quenching of a high-strength AA7449 aluminium alloy was investigated using in situ small angle X-ray scattering. Fast quench cooling was obtained by using a laser-based heating system. The size and number density of homogeneous nucleated clusters were found to be strongly dependent on the cooling rate, while the volume fraction of cluster formation is independent of the cooling rate. Heterogeneous larger precipitation starts at higher temperatures in volume fractions that depend on the cooling rate.
Probing the switching mechanism in ZnO nanoparticle memristors
Authors: Li Cheng , Beirne Gareth J. , Kamita Gen , Lakhwani Girish , Wang Jianpu , Greenham Neil C.
Published: September 2014

We investigate the resistance switching mechanism in memristors based on colloidal ZnO nanoparticles using electroabsorption (EA) spectroscopy. In this EA experiment, we incorporate a small amount of low-bandgap polymer, poly(9,9-dioctylfluorene-co-benzothiadiazole), as a probe molecule in ZnO-nanoparticle memristors. By characterizing this polymer, we can study the change of built-in potential (VBI) in the device during the resistance switching process without disturbing the resistance state by the EA probe light. Our results show that VBI increases when the device is switched to the high resistance state, suggesting a shift of effective workfunction of the electrode. Thus, we attribute the resistance switching to the field-dependent migration of oxygen vacancies associated with the adsorption and desorption of oxygen molecules at the Al/ZnO interface. This process results in the modulation of the interfacial injection barrier, which governs the resistance state of the device.
A line source in Minkowski for the de Sitter spacetime scalar Green's function: Massless minimally coupled case
Authors: Chu Yi-Zen
Published: September 2014

Motivated by the desire to understand the causal structure of physical signals produced in curved spacetimes – particularly around black holes – we show how, for certain classes of geometries, one might obtain its retarded or advanced minimally coupled massless scalar Green's function by using the corresponding Green's functions in the higher dimensional Minkowski spacetime where it is embedded. Analogous statements hold for certain classes of curved Riemannian spaces, with positive definite metrics, which may be embedded in higher dimensional Euclidean spaces. The general formula is applied to (d ≥ 2)-dimensional de Sitter spacetime, and the scalar Green's function is demonstrated to be sourced by a line emanating infinitesimally close to the origin of the ambient (d + 1)-dimensional Minkowski spacetime and piercing orthogonally through the de Sitter hyperboloids of all finite sizes. This method does not require solving the de Sitter wave equation directly. Only the zero mode solution to an ordinary differential equation, the “wave equation” perpendicular to the hyperboloid – followed by a one-dimensional integral – needs to be evaluated. A topological obstruction to the general construction is also discussed by utilizing it to derive a generalized Green's function of the Laplacian on the (d ≥ 2)-dimensional sphere.
Electrical and thermal conductivities in dense plasmas
Authors: Faussurier G. , Blancard C. , Combis P. , Videau L.
Published: September 2014

Expressions for the electrical and thermal conductivities in dense plasmas are derived combining the Chester-Thellung-Kubo-Greenwood approach and the Kramers approximation. The infrared divergence is removed assuming a Drude-like behaviour. An analytical expression is obtained for the Lorenz number that interpolates between the cold solid-state and the hot plasma phases. An expression for the electrical resistivity is proposed using the Ziman-Evans formula, from which the thermal conductivity can be deduced using the analytical expression for the Lorenz number. The present method can be used to estimate electrical and thermal conductivities of mixtures. Comparisons with experiment and quantum molecular dynamics simulations are done.
Effect of pressure on heterocyclic compounds: Pyrimidine and s-triazine
Authors: Li Shourui , Li Qian , Xiong Lun , Li Xiaodong , Li Wenbo , Cui Wen , Liu Ran , Liu Jing , Yang Ke , Liu Bingbing , Zou Bo
Published: September 2014

We have examined the high-pressure behaviors of six-membered heterocyclic compounds of pyrimidine and s-triazine up to 26 and 26.5 GPa, respectively. Pyrimidine crystallizes in Pna21 symmetry (phase I) with the freezing pressure of 0.3 GPa, and transforms to another phase (phase II) at 1.1 GPa. Raman spectra of several compression-decompression cycles demonstrate there is a critical pressure of 15.5 GPa for pyrimidine. Pyrimidine returns back to its original liquid state as long as the highest pressure is below 15.1 GPa. Rupture of the aromatic ring is observed once pressure exceeds 15.5 GPa during a compression-decompression cycle, evidenced by the amorphous characteristics of the recovered sample. As for s-triazine, the phase transition from R-3c to C2/c is well reproduced at 0.6 GPa, in comparison with previous Raman data. Detailed Raman scattering experiments corroborate the critical pressure for s-triazine may locate at 14.5 GPa. That is, the compression is reversible below 14.3 GPa, whereas chemical reaction with ring opening is detected when the final pressure is above 14.5 GPa. During compression, the complete amorphization pressure for pyrimidine and s-triazine is identified as 22.4 and 15.2 GPa, respectively, based on disappearance of Raman lattice modes. Synchrotron X-ray diffraction patterns and Fourier transform infrared spectra of recovered samples indicate the products in two cases comprise of extended nitrogen-rich amorphous hydrogenated carbon (a-C:H:N).
The acoustic instabilities in magnetized collisional dusty plasmas
Authors: Pandey B. P. , Vladimirov S. V. , Dwivedi C. B.
Published: September 2014

The present work investigates the wave propagation in collisional dusty plasmas in the presence of electric and magnetic field. It is shown that the dust ion-acoustic waves may become unstable to the reactive instability whereas dust-acoustic waves may suffer from both reactive and dissipative instabilities. If the wave phase speed is smaller than the plasma drift speed, the instability is of reactive type whereas in the opposite case, the instability becomes dissipative in nature. Plasma in the vicinity of dust may also become unstable to reactive instability with the instability sensitive to the dust material: dielectric dust may considerably quench this instability. This has implications for the dust charging and the use of dust as a probe in the plasma sheath.
Thermodynamic properties of bulk and confined water
Authors: Mallamace Francesco , Corsaro Carmelo , Mallamace Domenico , Vasi Sebastiano , Vasi Cirino , Stanley H. Eugene
Published: September 2014

The thermodynamic response functions of water display anomalous behaviors. We study these anomalous behaviors in bulk and confined water. We use nuclear magnetic resonance (NMR) to examine the configurational specific heat and the transport parameters in both the thermal stable and the metastable supercooled phases. The data we obtain suggest that there is a behavior common to both phases: that the dynamics of water exhibit two singular temperatures belonging to the supercooled and the stable phase, respectively. One is the dynamic fragile-to-strong crossover temperature (TL ≃ 225 K). The second, T* ∼ 315 ± 5 K, is a special locus of the isothermal compressibility KT(T, P) and the thermal expansion coefficient αP(T, P) in the P–T plane. In the case of water confined inside a protein, we observe that these two temperatures mark, respectively, the onset of protein flexibility from its low temperature glass state (TL) and the onset of the unfolding process (T*).
Polymer brushes in explicit poor solvents studied using a new variant of the bond fluctuation model
Authors: Jentzsch Christoph , Sommer Jens-Uwe
Published: September 2014

Using a variant of the Bond Fluctuation Model which improves its parallel efficiency in particular running on graphic cards we perform large scale simulations of polymer brushes in poor explicit solvent. Grafting density, solvent quality, and chain length are varied. Different morphological structures in particular octopus micelles are observed for low grafting densities. We reconsider the theoretical model for octopus micelles proposed by Williams using scaling arguments with the relevant scaling variable being σ/σc, and with the characteristic grafting density given by σc ∼ N−4/3. We find that octopus micelles only grow laterally, but not in height and we propose an extension of the model by assuming a cylindrical shape instead of a spherical geometry for the micelle-core. We show that the scaling variable σ/σc can be applied to master plots for the averaged height of the brush, the size of the micelles, and the number of chains per micelle. The exponents in the corresponding power law relations for the grafting density and chain length are in agreement with the model for flat cylindrical micelles. We also investigate the surface roughness and find that polymer brushes in explicit poor solvent at grafting densities higher than the stretching transition are flat and surface rippling can only be observed close to the stretching transition.
Molecular adhesion controlled microelectromechanical memory device for harsh environment data storage
Authors: Chua Geng Li , Singh Pushpapraj , Soon Bo Woon , Liang Ying Shun , Jayaraman Karthik Gopal , Kim Tony T.-H. , Singh Navab
Published: September 2014

This work demonstrates a cantilever based electrostatic microelectromechanical system device operating as a memory element. Volatile and non-volatile functions are engineered by manipulating molecular adhesion force through contact dimples and restoring force using the cantilever design. For non-volatile RESET operation, a method of detaching the cantilever with 3 V pulsating DC signal at 1 MHz is proposed. SET/RESET cycles are performed up to 103 times at 300 °C without any performance degradation. A writing speed of up to 0.94 μs is achieved, which is faster than conventional high temperature flash memories. With demonstrated attributes, the fabricated device offers excellent potential for harsh environment data storage applications.
Dynamic Fano-like resonances in erbium-doped whispering-gallery-mode microresonators
Authors: Lei Fuchuan , Peng Bo , Özdemir Şahin Kaya , Long Gui Lu , Yang Lan
Published: September 2014

We report Fano-like asymmetric resonances modulated by optical gain in a whispering-gallery-mode resonator fabricated from erbium-doped silica. A time-dependent gain profile leads to dynamically varying sharp asymmetric resonances with features similar to Fano resonances. Depending on the scan speed of the frequency of the probe laser and the pump-probe power ratio, transmission spectra of the active microcavity exhibit a resonance dip, a resonance peak, or a Fano-like resonance.
Tunable exchange bias-like effect in patterned hard-soft two-dimensional lateral composites with perpendicular magnetic anisotropy
Authors: Hierro-Rodriguez A. , Teixeira J. M. , Vélez M. , Alvarez-Prado L. M. , Martín J. I. , Alameda J. M.
Published: September 2014

Patterned hard-soft 2D magnetic lateral composites have been fabricated by e-beam lithography plus dry etching techniques on sputter-deposited NdCo5 thin films with perpendicular magnetic anisotropy. Their magnetic behavior is strongly thickness dependent due to the interplay between out-of-plane anisotropy and magnetostatic energy. Thus, the spatial modulation of thicknesses leads to an exchange coupled system with hard/soft magnetic regions in which rotatable anisotropy of the thicker elements provides an extra tool to design the global magnetic behavior of the patterned lateral composite. Kerr microscopy studies (domain imaging and magneto-optical Kerr effect magnetometry) reveal that the resulting hysteresis loops exhibit a tunable exchange bias-like shift that can be switched on/off by the applied magnetic field.
Single or functionalized fullerenes interacting with heme group
Authors: Costa Wallison Chaves , Diniz Eduardo Moraes
Published: September 2014

The heme group is responsible for iron transportation through the bloodstream, where iron participates in redox reactions, electron transfer, gases detection etc. The efficiency of such processes can be reduced if the whole heme molecule or even the iron is somehow altered from its original oxidation state, which can be caused by interactions with nanoparticles as fullerenes. To verify how such particles alter the geometry and electronic structure of heme molecule, here we report first principles calculations based on density functional theory of heme group interacting with single C60 fullerene or with C60 functionalized with small functional groups (−CH3, −COOH, −NH2, −OH). The calculations shown that the system heme + nanoparticle has a different spin state in comparison with heme group if the fullerene is functionalized. Also a functional group can provide a stronger binding between nanoparticle and heme molecule or inhibit the chemical bonding in comparison with single fullerene results. In addition heme molecule loses electrons to the nanoparticles and some systems exhibited a geometry distortion in heme group, depending on the binding energy. Furthermore, one find that such nanoparticles induce a formation of spin up states in heme group. Moreover, there exist modifications in density of states near the Fermi energy. Although of such changes in heme electronic structure and geometry, the iron atom remains in the heme group with the same oxidation state, so that processes that involve the iron might not be affected, only those that depend on the whole heme molecule.