bluuebunny/crossref_metadata_2025 huggingface dataset:
Coarse‐grained models for studying protein diffusion along DNA
Authors: Bhattacherjee Arnab , Krepel Dana , Levy Yaakov
Published: April 2016

Understanding the molecular mechanism and the fast kinetics of DNA target site recognition by a protein is essential to decipher genetic activity in the cell. The speed of searching DNA may depend on the structural complexity of the proteins and the DNA molecules as well as the cellular environment. Coarse‐grained (CG) molecular dynamics simulations are powerful means to investigate the molecular details of the search performed by protein to locate the target sites. Recent studies showed how different proteins scan DNA and how the search efficiency can be enhanced and regulated by the protein properties. In this review, we discuss computational approaches to study the physical chemistry of DNA search processes using CG molecular dynamics simulations and their advantage in covering long time‐scale biomolecular processes. WIREs Comput Mol Sci 2016, 6:515–531. doi: 10.1002/wcms.1262

This article is categorized under:

Structure and Mechanism > Computational Biochemistry and Biophysics
Periodic autoregressive moving average methods based on Fourier representation of periodic coefficients
Authors: Dudek Anna E. , Hurd Harry , Wójtowicz Wioletta
Published: April 2016

Methods for estimating parameters of periodic autoregressive moving average PARMA systems when the periodic coefficients are represented by Fourier series remain to be employed in practice and still offer problem areas for future research. As pointed out by early writers on the subject, such as Hannan (1955) and Jones and Brelsford (1967), if the periodic variations are smooth within the fundamental period, as might be expected in many physical time series, a substantial reduction in the number of estimated parameters may be realized by setting many of the Fourier coefficients to be zero; this restricts the estimated solutions to a subspace. The identification problem becomes the determination of lags and frequencies with significant amplitudes. While progress has been made in this area, improvements and new methods are needed. In reviewing the development of Fourier‐PARMA methods, we naturally view many of the main advances in PARMA time series analysis under the usual parameterization. Two simulations are presented that demonstrate further potential and open problems associated with the Fourier methods. WIREs Comput Stat 2016, 8:130–149. doi: 10.1002/wics.1380

This article is categorized under:

Statistical Learning and Exploratory Methods of the Data Sciences > Modeling Methods

Data: Types and Structure > Time Series, Stochastic Processes, and Functional Data
The use of audio playback to deter crop‐raiding Asian elephants
Authors: Wijayagunawardane Missaka P. B. , Short Roger V. , Samarakone Thusith S. , Nishany K. B. Madhuka , Harrington Helena , Perera B. V. P. , Rassool Roger , Bittner Evan P.
Published: April 2016

Human–elephant conflict (HEC) and poaching are the foremost threats to the survival of elephants (African, Loxodonta africana; Asian, Elephas maximus) in their natural environments. Reducing HEC has the potential to save hundreds of elephant and human lives annually across Asia and Africa. Lone adult male elephants are the principal crop raiders; therefore, we investigated the effectiveness of a variety of audio playbacks at deterring 22 wild adult male Asian elephants from food sources in a wildlife reserve in southern Sri Lanka in January, 2011. Food was provided ad libitum, and the reactions of the elephants in response to various stimuli were recorded and analyzed. Vocalizations from a wild Asian elephant matriarchal group resulted in a flight response in 65% of trials conducted, in contrast to a control sound, a chainsaw, which produced no flight responses from any adult male. We demonstrated that audio playbacks could be used as a short‐term deterrent to wild adult male Asian elephants from crop raiding; thus, providing a simple, natural, cost‐effective, and humane way of mitigating HEC. © 2016 The Wildlife Society.
Application of Indirect Enzymatic Method for Determinations of 2‐/3‐MCPD‐Es and Gly‐Es in Foods Containing fats and Oils
Authors: Miyazaki Kinuko , Koyama Kazuo
Published: April 2016

Because of the potential health risks, fatty acid esters of 3‐chloro‐1,2‐propanediol (3‐MCPD‐Es), 2‐chloro‐1,3‐propanediol (2‐MCPD‐Es) and glycidol (Gly‐Es) in foods are drawing the attention of public health authorities. To assess applicability of the rapid indirect method developed earlier by using a Candida rugosa lipase for the analyses of refined fats and oils was applied to the analyses of various foods. Mayonnaise, vegetable oil margarine and fat spread could be analyzed with the hydrolysis condition of 30 min at room temperature. Analyses of 3‐MCPD‐Es in margarines and fat spreads containing milk fat could be analyzed by increasing the hydrolysis temperature to 40 °C. The results in a mayonnaise, four fat spreads and five margarines analyzed by the enzymatic method were 0.10–0.98 mg/kg for 3‐MCPD, 0.05–0.41 mg/kg for 2‐MCPD and 0.15–0.59 mg/kg for Gly, and correlated well with the results obtained by AOCS Cd 29a with Cd 30–15 with slopes of 0.99–1.13, and R2s of 0.87–0.99. Further, by adding a simple fat extraction step using a solvent mix at 60 °C, foods high in protein and carbohydrate, such as infant formulas, could also be successfully analyzed with >90 % recovery in 1 day. Because the enzymatic method requires only 30 min for hydrolysis, the method is considered suitable for routine analyses of 2‐/3‐MCPD‐Es and Gly‐Es in foods.
An exciting new chapter for the Irish Journal of Psychological Medicine
Authors: Lyne J.
Published: April 2016

It is with great optimism that I step into the role as Editor-in-Chief with Irish Journal of Psychological Medicine. Much progress has been made since inception of the journal over three decades ago, most recently marked by new partnerships with the College of Psychiatrists of Ireland and Cambridge University Press. This is a crucial time for the journal to sustain and build on progress made to date. The journal will continue with the previous tradition of publishing high-quality original research, and will disseminate this research to an audience with the aim of improving mental health for all. I would like to express a huge gratitude to the outgoing Editor from all involved in the journal for the steadfast work throughout his tenure, and I look forward with enthusiasm to taking further steps of progress in this role.
Examining the Attributions of Discrimination toward People with Mental Illness among Chinese College Students
Authors: Zheng Lisa Xi , Keegan John P. , Rosenthal David , Talley William , Hunter Celeste A.
Published: April 2016

The purpose of this study was to test the usefulness of the attribution model (Corrigan, Markowitz, Watson, Rowan & Kubiak, 2003; Weiner, 1995) in a Chinese cultural context to explain Chinese college students’ perceptions of discrimination toward people with mental illness. A total of 293 college students (male = 142; female = 151; age from 18 to 22) completed an Attribution Questionnaire (AQ) after reading vignettes, consisting of a male who either used illicit drugs or had a traumatic brain injury. Data were analysed using a hierarchical regression to determine the amount of variance accounted for in discriminatory behaviours by the attribution model. The results showed, when controlling for all other factors, that controllability and the three emotions (pity, anger, and fear) were found to be significant predictors of discrimination. The relationship between controllability, responsibility, and discrimination was not consistent with the attribution model since responsibility did not mediate the controllability of cause. These results provide support for the idea that disability attributions are culturally influenced.
TOWARDS UNILATERALISM? HOUSE OF COMMONS OVERSIGHT OF THE USE OF FORCE
Authors: Murray Colin RG , O'Donoghue Aoife
Published: April 2016

Engaging democratically elected assemblies in national decision-making over the extraterritorial use of force seemingly provides a secure check on executive abuses of power. Many liberal democracies therefore maintain constitutional requirements that their elected national assembly must authorize decisions to use military force. By comparison, the UK Parliament has historically played a limited and often indirect role in authorizing the use of force. From the vote on the Iraq War in 2003 onwards, however, the UK Parliament's role has increased to the point where, in August 2013, the defeat of a Government motion seeking approval for the use of force undermined efforts to build an international coalition to intervene in the ongoing Syrian conflict. Whilst debate regarding this shift has hitherto concentrated on the degree to which parliamentary oversight of the war prerogative is desirable, in this article we consider what Parliament's evolving role heralds for the general relationship between domestic and UN mechanisms. We challenge the underlying assumption that Parliament's interventions mark an indisputably positive development in constraining the use of force. When coupled with the focus upon the doctrine of humanitarian intervention which has accompanied many controversial exercises of UK military force since the end of the Cold War, the involvement of Parliament in the decision-making process risks hollowing out UN Charter safeguards. Successive UK Governments have acquiesced to the extension of Parliament's role, with the effect of shifting the locus for legitimating uses of force away from UN institutions, where the UK cannot control the actions of other States, and into a domestic sphere which is susceptible to executive influence.
A rose by any other name? Learner English and variety–status labelling: the case of English in South Korea
Authors: Song Jae Jung
Published: April 2016

One of the major achievements of Braj Kachru's (1991) ‘liberation linguistics’ is that it has squarely placed Outer Circle varieties such as Indian English, Nigerian English and Singaporean English on a par with Inner Circle varieties such as American English and British English – in the face of negative attitudes, ranging ‘from amused condescension to racist stereotyping’ (Bruthiaux, 2003: 160). Following in Kachru's footsteps, many scholars have demonstrated that these Outer Circle Englishes are legitimate varieties of English, with distinct characteristics and with growing numbers of native speakers (e.g. Deterding, 2007; Jowitt, 1991; Sailaja, 2009). Indeed these Outer Circle English varieties are increasingly used, in respective countries, not only as the major or default medium of communication but also in the context of important domains such as education, media, government, literature and popular culture. The Kachruvian perspective has also given rise to the ‘egalitarian’ view that Inner Circle English speakers are no longer the only ones who can lay claim to the ownership of English. Outer Circle English speakers are now thought to be as much custodians of English as Inner Circle English speakers are.
Older Adults and the Fear of Death: The Protective Function of Generativity
Authors: Major Rochelle J. , Whelton William J. , Schimel Jeff , Sharpe Donald
Published: April 2016

La théorie de la gestion de terreur (TGT) indique que les visions du monde culturel apaisent les inquiétudes au sujet de la mortalité humaine. Des recherches préliminaires avec des personnes âgées ont indiqué que les personnes âgées ne répondent pas aux rappels de la mort de la même manière que leurs plus jeunes homologues. Le but de l’étude était de tester un concept de développement pertinent qui peut fonctionner comme un tampon contre l’anxiété ressenti à la mort à la fin de vie. L’hypothèse est que le concept de générativité d’ Erikson peut comprendre des propriétés niant de la mort pour les personnes âgées. Cent soixante-dix-neuf personnes âgées ont été recrutés pour déterminer si les initiations* subtiles mais saillants de la mortalité conduirait les participants à évaluer leur propre générativité comme étant plus élevé qu’après les initiations flagrantes, ou pas du tout, après contrôle de la générativité avant l’initiation. Comme prévu, les participants exposés à subtile renforcements de la mort se sont considérés comme ayant des niveaux plus élevés de la générativité que les deux autres groupes après générativité covariable avant. Les explications sont discutées à la lumière de la littérature sur la TGT et la générativité.
‘Ducking and Diving’: How Political Issues Affect Equivocation in Japanese Political Interviews
Authors: FELDMAN OFER , KINOSHITA KEN , BULL PETER
Published: April 2016

This paper examines how Japanese leading politicians cope with the communication problems posed during televised political interviews. Based on data gathered during the year 2012–13, the paper replicates and modifies the Theory of Equivocation to detail the responsiveness of national and local level politicians (and for comparison also of non-politicians) to interview questions. Its main focus is on the extent to which Japanese politicians equivocate during televised programs, and the reasons underlying this equivocation. Overall, the paper aims to identify the motives behind interviewees’ equivocation, thereby to also assess the significance of these talk shows in the broader context of political communication in Japan.
Decentralization and Participation: Theory and Ghana's Evidence
Authors: MOHAMMED ABDULAI KUYINI
Published: April 2016

Decentralization is predicted to increase popular participation in all processes, and especially decision-making at the local level. Through the analysis of interview data and secondary information, this claim was tested in five districts in Ghana. The evidence showed that contrary to theory, formal and informal procedures for participation are inadequate and irregular. Although the spaces for participation have been established and expanded, these are dominated by males with educated and professional backgrounds as well as the rich and influential with access to power at the center. Women, the poor and disabled as well as people from rural peripheries are excluded from the process. Their exclusion is attributable to gender-insensitive decentralization policy, lack of socio-economic resources, low educational attainment, cultural practices, and patronage politics. The paper concludes that decentralization cannot compel the predicted level of participation unless these structural conditions inhibiting engagement and empowerment of especially marginalized groups are addressed.
Macro to micro aspects of the plant preservation in the Early Devonian Rhynie cherts, Aberdeenshire, Scotland
Authors: Trewin N. H. , Fayers S. R.
Published: April 2016

Material excavated from a trench dug to expose the Rhynie Cherts Unit of the Dryden Flags Formation included blocks of Rhynie chert up to 50 cm thick and comprising the full thickness of plant-bearing chert beds. These blocks, and others collected as float, display a variety of macro-textures typical of silicification at the terrestrial surface and in shallow water. On sandy terrestrial surfaces, autochthonous and allochthonous plant debris and plant rhizomes are well preserved, but aerial axes generally decayed prior to silicification. In shallow water, clonal plants, particularlyRhynia, are preserved with aerial axes in growth position, supported by microbial mats and meshworks. Preservation of such delicate fabrics required the creation of a load-bearing framework early in the silicification process, to prevent crushing during early burial.

On the microscale, plant taphonomy reveals characteristic features due to plant decay prior to silicification in both wet and dry conditions, and also during the silicification process. Silicification of plants was frequently very rapid, preserving delicate transient features such as spore germination and ejection of sperm cells from antheridia. In situations where plant tissue continued to decay during silicification, the process was slower.
Polypharmazie: Arznei-Cocktail im Alter, was macht Sinn?
Authors: Conzelmann Martin , Breil Dieter
Published: April 2016

Zusammenfassung. Polypharmazie wird in unserer Gesellschaft, die immer älter wird, zunehmen. Polypharmazie führt zu unerwünschten Arzneimittelwirkungen, zu medikamentösen Interaktionen und zu Non-Compliance. Geriatrische Syndrome wie Sturz, Inkontinenz, Malnutrition, Delir und eingeschränkte Kognition sind häufig Folge unerwünschter Arzneimittelwirkungen. Therapie-Empfehlungen berücksichtigen zu wenig die speziellen Aspekte des letzten Lebensjahrzehnts. Wir stellen validierte Instrumente vor und stellen kritische Fragen, um ungeeignete Wirkstoffe erkennen und die Anzahl Medikamente reduzieren zu können.
Epigenetic profiles signify cell fate plasticity in unipotent spermatogonial stem and progenitor cells
Authors: Liu Ying , Giannopoulou Eugenia G. , Wen Duancheng , Falciatori Ilaria , Elemento Olivier , Allis C. David , Rafii Shahin , Seandel Marco
Published: April 2016

Spermatogonial stem and progenitor cells (SSCs) generate adult male gametes. During in vitro expansion, these unipotent murine cells spontaneously convert to multipotent adult spermatogonial-derived stem cells (MASCs). Here we investigate this conversion process through integrative transcriptomic and epigenomic analyses. We find in SSCs that promoters essential to maintenance and differentiation of embryonic stem cells (ESCs) are enriched with histone H3-lysine4 and -lysine 27 trimethylations. These bivalent modifications are maintained at most somatic promoters after conversion, bestowing MASCs an ESC-like promoter chromatin. At enhancers, the core pluripotency circuitry is activated partially in SSCs and completely in MASCs, concomitant with loss of germ cell-specific gene expression and initiation of embryonic-like programs. Furthermore, SSCs in vitro maintain the epigenomic characteristics of germ cells in vivo. Our observations suggest that SSCs encode innate plasticity through the epigenome and that both conversion of promoter chromatin states and activation of cell type-specific enhancers are prominent features of reprogramming.
A single active catalytic site is sufficient to promote transport in P-glycoprotein
Authors: Bársony Orsolya , Szalóki Gábor , Türk Dóra , Tarapcsák Szabolcs , Gutay-Tóth Zsuzsanna , Bacsó Zsolt , Holb Imre J. , Székvölgyi Lóránt , Szabó Gábor , Csanády László , Szakács Gergely , Goda Katalin
Published: April 2016

P-glycoprotein (Pgp) is an ABC transporter responsible for the ATP-dependent efflux of chemotherapeutic compounds from multidrug resistant cancer cells. Better understanding of the molecular mechanism of Pgp-mediated transport could promote rational drug design to circumvent multidrug resistance. By measuring drug binding affinity and reactivity to a conformation-sensitive antibody we show here that nucleotide binding drives Pgp from a high to a low substrate-affinity state and this switch coincides with the flip from the inward- to the outward-facing conformation. Furthermore, the outward-facing conformation survives ATP hydrolysis: the post-hydrolytic complex is stabilized by vanadate and the slow recovery from this state requires two functional catalytic sites. The catalytically inactive double Walker A mutant is stabilized in a high substrate affinity inward-open conformation, but mutants with one intact catalytic center preserve their ability to hydrolyze ATP and to promote drug transport, suggesting that the two catalytic sites are randomly recruited for ATP hydrolysis.
3D printed cellular solid outperforms traditional stochastic foam in long-term mechanical response
Authors: Maiti A. , Small W. , Lewicki J. P. , Weisgraber T. H. , Duoss E. B. , Chinn S. C. , Pearson M. A. , Spadaccini C. M. , Maxwell R. S. , Wilson T. S.
Published: April 2016

3D printing of polymeric foams by direct-ink-write is a recent technological breakthrough that enables the creation of versatile compressible solids with programmable microstructure, customizable shapes, and tunable mechanical response including negative elastic modulus. However, in many applications the success of these 3D printed materials as a viable replacement for traditional stochastic foams critically depends on their mechanical performance and micro-architectural stability while deployed under long-term mechanical strain. To predict the long-term performance of the two types of foams we employed multi-year-long accelerated aging studies under compressive strain followed by a time-temperature-superposition analysis using a minimum-arc-length-based algorithm. The resulting master curves predict superior long-term performance of the 3D printed foam in terms of two different metrics, i.e., compression set and load retention. To gain deeper understanding, we imaged the microstructure of both foams using X-ray computed tomography, and performed finite-element analysis of the mechanical response within these microstructures. This indicates a wider stress variation in the stochastic foam with points of more extreme local stress as compared to the 3D printed material, which might explain the latter’s improved long-term stability and mechanical performance.
Size and Fiber Density Controlled Synthesis of Fibrous Nanosilica Spheres (KCC-1)
Authors: Bayal Nisha , Singh Baljeet , Singh Rustam , Polshettiwar Vivek
Published: April 2016

We report a facile protocol for the synthesis of fibrous nano-silica (KCC-1) with controllable size and fiber density. In this work, we have shown that the particle size, fiber density, surface area and pore volume of KCC-1 can be effectively controlled and tuned by changing various reaction parameters, such as the concentrations of urea, CTAB, 1-pentanol, reaction time, temperature, solvent ratio and even outside stirring time. For the first time, we were able to control the particle size ranging from as small as 170 nm to as large as 1120 nm. We were also able to control the fiber density from low to medium to very dense, which consequently allowed the tuning of the pore volume. We were able to achieve a pore volume of 2.18 cm3/g, which is the highest reported for such a fibrous material. Notably we were even able to increase the surface area up to 1244 m2/g, nearly double the previously reported surface area of KCC-1. Thus, one can now synthesize KCC-1 with various degrees of size, surface area, pore volume and fiber density.
Resting electrical network activity in traps of the aquatic carnivorous plants of the genera Aldrovanda and Utricularia
Authors: Masi Elisa , Ciszak Marzena , Colzi Ilaria , Adamec Lubomir , Mancuso Stefano
Published: April 2016

In this study the MEA (multielectrode array) system was used to record electrical responses of intact and halved traps and other trap-free tissues of two aquatic carnivorous plants, Aldrovanda vesiculosa and Utricularia reflexa. They exhibit rapid trap movements and their traps contain numerous glands. Spontaneous generation of spikes with quite uniform shape, propagating across the recording area, has been observed for all types of sample. In the analysis of the electrical network, higher richer synchronous activity was observed relative to other plant species and organs previously described in the literature: indeed, the time intervals between the synchronized clusters (the inter-spike intervals) create organized patterns and the propagation times vary non-linearly with the distance due to this synchronization. Interestingly, more complex electrical activity was found in traps than in trap-free organs, supporting the hypothesis that the nature of the electrical activity may reflect the anatomical and functional complexity of different organs. Finally, the electrical activity of functionally different traps of Aldrovanda (snapping traps) and Utricularia (suction traps) was compared and some differences in the features of signal propagation were found. According to these results, a possible use of the MEA system for the study of different trap closure mechanisms is proposed.
Microfluidics for simultaneous quantification of platelet adhesion and blood viscosity
Authors: Yeom Eunseop , Park Jun Hong , Kang Yang Jun , Lee Sang Joon
Published: April 2016

Platelet functions, including adhesion, activation and aggregation have an influence on thrombosis and the progression of atherosclerosis. In the present study, a new microfluidic-based method is proposed to estimate platelet adhesion and blood viscosity simultaneously. Blood sample flows into an H-shaped microfluidic device with a peristaltic pump. Since platelet aggregation may be initiated by the compression of rotors inside the peristaltic pump, platelet aggregates may adhere to the H-shaped channel. Through correlation mapping, which visualizes decorrelation of the streaming blood flow, the area of adhered platelets (APlatelet) can be estimated without labeling platelets. The platelet function is estimated by determining the representative index IA·T based on APlatelet and contact time. Blood viscosity is measured by monitoring the flow conditions in the one side channel of the H-shaped device. Based on the relation between interfacial width (W) and pressure ratio of sample flows to the reference, blood sample viscosity (μ) can be estimated by measuring W. Biophysical parameters (IA·T, μ) are compared for normal and diabetic rats using an ex vivo extracorporeal model. This microfluidic-based method can be used for evaluating variations in the platelet adhesion and blood viscosity of animal models with cardiovascular diseases under ex vivo conditions.
Field-driven Domain Wall Motion in Ferromagnetic Nanowires with Bulk Dzyaloshinskii-Moriya Interaction
Authors: Zhuo Fengjun , Sun Z. Z.
Published: April 2016

Field-driven domain wall (DW) motion in ferromagnetic nanowires with easy- and hard-axis anisotropies was studied theoretically and numerically in the presence of the bulk Dzyaloshinskii-Moriya interaction (DMI) based on the Landau-Lifshitz-Gilbert equation. We propose a new trial function and offer an exact solution for DW motion along a uniaxial nanowire driven by an external magnetic field. A new strategy was suggested to speed up DW motion in a uniaxial magnetic nanowire with large DMI parameters. In the presence of hard-axis anisotropy, we find that the breakdown field and velocity of DW motion was strongly affected by the strength and sign of the DMI parameter under external fields. This work may be useful for future magnetic information storage devices based on DW motion.
Quantitative Measure of Receptor Agonist and Modulator Equi-Response and Equi-Occupancy Selectivity
Authors: Zhang Rumin , Kavana Michael
Published: April 2016

G protein-coupled receptors (GPCRs) are an important class of drug targets. Quantitative analysis by global curve fitting of properly designed dose-dependent GPCR agonism and allosterism data permits the determination of all affinity and efficacy parameters based on a general operational model. We report here a quantitative and panoramic measure of receptor agonist and modulator equi-response and equi-occupancy selectivity calculated from these parameters. The selectivity values help to differentiate not only one agonist or modulator from another, but on-target from off-target receptor or functional pathway as well. Furthermore, in conjunction with target site free drug concentrations and endogenous agonist tones, the allosterism parameters and selectivity values may be used to predict in vivo efficacy and safety margins.
Association between occupational exposures to pesticides with heterogeneous chemical structures and farmer health in China
Authors: Huang Xusheng , Zhang Chao , Hu Ruifa , Li Yifan , Yin Yanhong , Chen Zhaohui , Cai Jinyang , Cui Fang
Published: April 2016

This study analyzed the associations of farmers’ exposure to organophosphates (OPs), organosulfurs (OSs), organonitrogens (ONs) and pyrethroids (PYRs) with parameters of the blood complete counts (CBC), a blood chemistry panel (BCP) and the conventional nerve conduction studies among 224 farmers in China in 2012. Two health examinations and a series of follow-up field surveys were conducted. Multiple linear regression analyses were used to evaluate the associations. The results show considerable associations between multiple groups of pesticides and several CBC parameters, but it was not enough to provide evidence of hematological disorders. The short- and medium-term OPs exposures were mainly associated with liver damage and peripheral nerve impairment, respectively, while OSs exposure might induce liver damage and renal dysfunction. The neurotoxicity of ONs was second only to OPs in addition to its potential liver damage and the induced alterations in glucose. In comparison, the estimated results show that PYRs would be the least toxic in terms of the low-dose application. In conclusion, occupational exposures to pesticides with heterogeneous chemical structures are associated with farmer health in different patterns, and the association between a specific group of pesticides and farmer health also differs between the short- and medium-term exposures.
Angiogenesis genotyping and clinical outcome during regorafenib treatment in metastatic colorectal cancer patients
Authors: Giampieri Riccardo , Salvatore Lisa , Del Prete Michela , Prochilo Tiziana , D’Anzeo Marco , Loretelli Cristian , Loupakis Fotios , Aprile Giuseppe , Maccaroni Elena , Andrikou Kalliopi , Bianconi Maristella , Bittoni Alessandro , Faloppi Luca , Demurtas Laura , Montironi Rodolfo , Scarpelli Marina , Falcone Alfredo , Zaniboni Alberto , Scartozzi Mario , Cascinu Stefano
Published: April 2016

Regorafenib monotherapy is a potential option for metastatic colorectal cancer patients. However, the lack of predictive factors and the severe toxicities related to treatment have made its use in clinical practice challenging. Polymorphisms of VEGF and its receptor (VEGFR) genes might regulate angiogenesis and thus potentially influence outcome during anti-angiogenesis treatment such as regorafenib. Aim of our study was to evaluate the role of VEGF and VEGFR genotyping in determining clinical outcome for colorectal cancer patients receiving regorafenib. We retrospectively collected clinical data and samples (tumour or blood) of 138 metastatic colorectal cancer patients treated with regorafenib. We analysed the correlation of different VEGF-A, VEGF-C and VEGFR-1,2,3 single nucleotide polymorphisms (SNPs) with patients’ progression-free survival (PFS) and overall survival (OS). Results from angiogenesis genotyping showed that only VEGF-A rs2010963 maintained an independent correlation with PFS and OS. Among clinical factors only ECOG PS was independently correlated with OS, whereas no correlation with PFS was evident. Grouping together those results allowed further patients stratification into 3 prognostic groups: favourable, intermediate and unfavourable. VEGF-A rs2010963 genotyping may represent an important tool for a more accurate selection of optimal candidates for regorafenib therapy.
Formic acid as a hydrogen storage material – development of homogeneous catalysts for selective hydrogen release
Authors: Mellmann Dörthe , Sponholz Peter , Junge Henrik , Beller Matthias
Published: April 2016

Liquid energy: formic acid is an ideal candidate for catalytic release and storage of hydrogen.
New amination strategies based on nitrogen-centered radical chemistry
Authors: Xiong Tao , Zhang Qian
Published: April 2016

Recent advances in promising metal-catalyzed and visible-light initiated radical amination reactions are reviewed.
Heterometallic trinuclear {CoIII2LnIII} (Ln = Gd, Tb, Ho and Er) complexes in a bent geometry. Field-induced single-ion magnetic behavior of the ErIII and TbIII analogues
Authors: Goura Joydeb , Brambleby Jamie , Topping Craig V. , Goddard Paul A. , Suriya Narayanan Ramakirushnan , Bar Arun Kumar , Chandrasekhar Vadapalli
Published: April 2016

In this paper we report the synthesis, structures and detailed magnetic properties of heterometallic trinuclear CoIIILnIII complexes.
Immune relevant molecules identified in the skin mucus of fish using -omics technologies
Authors: Brinchmann Monica Fengsrud
Published: April 2016

This review will give an overview of immune relevant molecules in fish skin mucus.
Novel anthracene- and pyridine-containing Schiff base probe for selective “off–on” fluorescent determination of Cu2+ ions towards live cell application
Authors: Simon Turibius , Shellaiah Muthaiah , Srinivasadesikan Venkatesan , Lin Ching-Chang , Ko Fu-Hsiang , Sun Kien Wen , Lin Ming-Chang
Published: April 2016

A simple anthracene-based AP probe was synthesized to detect Cu2+ ions, via the photoinduced electron transfer mechanism, in live cells.
Solvation dependence observed in the electronic dissymmetry factor spectra: how much information are we missing by analyzing the circular dichroism spectra alone?
Authors: Covington Cody L. , Polavarapu Prasad L.
Published: April 2016

The electronic dissymmetry factor (EDF) spectra reveal that for [1,1′-binaphthalene]-2,2′-diol the experimental EDF spectra show solvent polarity dependent effects that are not apparent in the electronic circular dichroism or absorption spectra.
One-pot catalytic conversion of carbohydrates into furfural and 5-hydroxymethylfurfural
Authors: Zhou Peng , Zhang Zehui
Published: April 2016

Recently, there has been growing interest in the transformation of renewable biomass into value-added chemicals and biofuels.
Spiers Memorial Lecture : Heterogeneous catalysis: understanding the fundamentals for catalyst design
Authors: Corma Avelino
Published: April 2016

Taking the chemoselective hydrogenation of substituted nitroaromatics as a base case, it will be shown that it is possible to design improved and new catalysts by attacking the problem in a multidisciplinary way. By combining molecular modeling with in situ operando spectroscopy, and with micro-kinetic and isotopic studies, it is possible to determine how and where on the catalysts the reactant molecules interact. Then, materials synthesis methods can be applied to prepare catalysts with the desired surface active sites and their selective interaction with the reactants.
Tunable emissions via the white region from Sr2Gd8(SiO4)6O2:RE3+ (RE3+: Dy3+, Tm3+, Eu3+) phosphors
Authors: Rao Gattupalli Manikya , Seeta Rama Raju G. , Hussain Sk. Khaja , Pavitra E. , Rao P. S. V. Subba , Yu Jae Su
Published: April 2016

Sr2Gd8(SiO4)6O2 is an excellent host lattice for tunable emissions via the white-light region when co-doped with suitable trivalent rare-earth ions.
Light-driven charge transfer in nano-Fe(iii) complexes facilitates the oxidation of water
Authors: Wang Yin-Bing , Qu Ling-Ling , Chen Qiu-Yun , Feng Chang-Jian
Published: April 2016

BODIPY@Fe1 catalysed the oxidation of water with efficient energy transfer from the BODIPY antenna to the Fe1 through hydrogen.
Stability, electronic structure and magnetic properties of vacancy and nonmetallic atom-doped buckled arsenene: first-principles study
Authors: Xu Chunyan , Zhu Mingfeng , Zheng Huiling , Du Xiaobo , Wang Wenquan , Yan Yu
Published: April 2016

A doping C, Si, O and S can induce the magnetic moments of 1.0μBin buckled arsenene, while the substitutional doping of H, F, B, N and P can not produce the magnetism.
Low temperature catalytic combustion of o-dichlorobenzene over supported Mn–Ce oxides: effect of support and Mn/Ce ratio
Authors: Ren Yanping , Tang Aidong , Hu Liqin , Xiang Hui
Published: April 2016

Mn9Ce1/cordierite represents the lowest reduction temperature among three supports (cordierite, TiO2and Al2O3) and higher combustion activity foro-DCB due to containing a higher Mn3+species concentration and surface hydroxides.
Synthesis of 4-trifluoromethanesulfonate substituted 3,6-dihydropyrans and their application in various C–C coupling reactions
Authors: Saikia Anil K. , Ghosh Priya , Kautarya Ashutosh K.
Published: April 2016

Triflic acid is used for Prins cyclization of homopropargyl alcohols with aldehydes to give 3,6-dihydro-2H-pyran-4-yl trifluoromethanesulfonates. The dihydropyran is converted into 4-alkyl and aryl substituted products using cross-coupling reactions.
Corrosion behavior of 316L and 304 stainless steels exposed to industrial-marine-urban environment: field study
Authors: Dhaiveegan P. , Elangovan N. , Nishimura T. , Rajendran N.
Published: April 2016

The present investigation extensively compares the pitting corrosion behavior and mechanical stability of 316L and 304 stainless steels (SS) exposed to an Industrial-Marine-Urban (IMU) environment for 3 years from April 2012–March 2015.
Leaching of metals from printed circuit board powder by an Aspergillus niger culture supernatant and hydrogen peroxide
Authors: Jadhav U. , Su C. , Hocheng H.
Published: April 2016

Removal of chemical coating of PCB powder using 0.1 M sodium hydroxide solution.
Rational design of cyclopenta[b]naphthalenes for better optoelectronic applications and their photophysical properties using DFT/TD-DFT methods
Authors: Jagadeesan Rajangam , Velmurugan Gunasekaran , Venuvanalingam Ponnambalam
Published: April 2016

The optical properties of cyclopenta[b]naphthalenes (CPNs) can be fine-tuned by suitable substitutions and DFT calculations show that they can make efficient OLEDs.
Quickly FeCl3-catalyzed highly chemo- and stereo-selective [3 + 2] dipolar cycloaddition of aziridines with isothiocyanates
Authors: Gao Lingfeng , Fu Kai , Zheng Gengxiu
Published: April 2016

A FeCl3-catalyzed [3 + 2] cycloaddition reaction of aziridine with isothiocyanate was developed.
A ferrocenyl pyridine-based Ru(ii) arene complex capable of generating ·OH and 1O2 along with photoinduced ligand dissociation
Authors: Wang Tianji , Zhou Qianxiong , Zhang Yangyang , Zheng Yue , Wang Weibo , Hou Yuanjun , Jiang Guoyu , Cheng Xuexin , Wang Xuesong
Published: April 2016

A ferrocene modified Ru(ii) arene complex was developed to present dual activity of photoactivated chemotherapy (PACT) and photodynamic therapy (PDT).
All-solid-state flexible asymmetric micro supercapacitors based on cobalt hydroxide and reduced graphene oxide electrodes
Authors: Lee Su Chan , Patil U. M. , Kim Sun Jun , Ahn Seokhoon , Kang Seok-Won , Jun Seong Chan
Published: April 2016

All-solid-state flexible asymmetric micro supercapacitor was prepared based on Co(OH)2 and electrochemically reduced graphene oxide via photolithography and electrodeposition.
Ni/Al2O3/epoxy high-k composites with ultralow nickel content towards high-performance dielectric applications
Authors: Wang Jing , Shi Zhicheng , Mao Fan , Wang Xin , Zhang Kun , Shi Jing
Published: April 2016

Ni/Al2O3/epoxy composites with ultralow nickel content, high permittivity and low loss were prepared via a facile wet impregnation process.
LEIS study of the protection of zinc phosphate/epoxy coatings under cathodic protection
Authors: Liu Xiaoling , Shao Yawei , Liu Mingshun , Chen Shougang , Wang Fuhui , Wang Longqiang
Published: April 2016

The anti-corrosion properties of the defective zinc phosphate/epoxy coatings under cathodic protection (CP) in a 3.5% NaCl solution were evaluated by localized electrochemical impedance spectroscopy (LEIS) and scanning electrochemical microscopy.
Dry etching and residue removal of functional polymer mixed with TiO2 microparticles via inductively coupled CF4/O2 plasma and ultrasonic-treated acetone for humidity sensor application
Authors: Liu Ming-Qing , Wang Cong , Yao Zhao , Kim Nam-Young
Published: April 2016

An ICP dry etching and residue removal method of functional polymer mixed with TiO2 microparticles using for humidity sensor application.
Luminescent metal complexes featuring photophysically innocent boron cluster ligands
Authors: Kirlikovali Kent O. , Axtell Jonathan C. , Gonzalez Alejandra , Phung Alice C. , Khan Saeed I. , Spokoyny Alexander M.
Published: April 2016

We report the synthesis and characterization of a series of d8 metal complexes featuring robust and photophysically innocent strong-field chelating 1,1′-bis(o-carborane) (bc) ligand frameworks.
Finding hidden oscillations in the operation of nonlinear electronic circuits
Authors: Rocha R. , Medrano‐T R.O.
Published: April 2016

Several dynamic behaviours can simultaneously coexist in the operation of a nonlinear electronic circuit. However, some of these dynamics are difficult to be observed due to their sensibility to initial conditions. The use of describing functions to determine the coexistence of multiple dynamics in the operation of an electronic circuit with nonlinear feedback is proposed.
Direction sensitive wavelet packet for despeckling of ultrasound images
Authors: Vimalraj C. , Esakkirajan S. , Veerakumar Thangaraj , Sreevidya P.
Published: April 2016

The study attempts to despeckle ultrasound images by the application of a direction sensitive wavelet packet transform. In the proposed method, wavelet packet decomposition is performed on the image and best subbands are selected using singular value decomposition. The low frequency subband is preserved, as it has the maximum information content. Iterated directional filter bank (IDFB) is applied on all other selected subbands. The vertical cells of the IDFB in the horizontal subbands and horizontal cells of IDFB in vertical subbands are eliminated because of their minimum edge information and maximum noise. Shrinkages are also applied on the remaining cells to be evaluated. The performance of the proposed algorithm is evaluated in terms of mean square error (MSE), peak signal to noise ratio, mean structural SIMilarity index, speckle suppression index, signal to MSE and speckle signal to noise ratio. It is found after the evaluation that the obtained experimental results are better than the existing state of the art despeckling techniques.
Electromagnetic field interaction with overhead electrical networks
Authors: Boumaiza Mostefa , Labed Djamel
Published: April 2016

In this work, the authors have studied the interaction between electromagnetic fields which are generated by lightning and overhead line in electrical power system. For this study, the authors constructed a system of equations. In which the network topology; with all its elements (linear or not) and wave exciter lightning are taken into account. This analysis is developed in time from the general equations of transmission lines with second members, with consideration of the frequency dependence of the correction terms related to the impedance of a finite conductivity of ground as well as non‐linearities loads. The simulation results presented in this study demonstrate the effectiveness of this analysis for the calculation of induced voltages generated by lightning on a grid of lines.
Self‐powered autonomous underwater vehicles: results from a gyroscopic energy scavenging prototype
Authors: Townsend Nicholas C
Published: April 2016

This study describes and presents preliminary experimental results from a novel prototype energy scavenging system installed in a model 2 m cylindrical autonomous underwater vehicle (AUV). The system, which is based on control moment gyroscope principles, utilises the gyroscopic response of a gimballed flywheel mounted within an AUV body to generate energy from the wave induced rotational motions of the vehicle. This method, using the reaction of a spinning wheel under an input torque to provide an output torque of greater magnitude, orthogonal to the input torque axis and the spin axis provides a means to harvest energy in‐situ, without external appendages and additional hydrodynamic drag. The system promises to extend AUV mission durations indefinitely and reduce support vessel time currently required for periodical recharging and redeployment. A description of the system operation, design and experimental results from a series of regular wave tests conducted at zero speed in a towing tank are presented in this study. The results show that the system can harvest energy, with the greatest power generation around resonance, tailing off as the frequency increases and typically non‐linear in nature. The system could potentially be applied to any rotationally excited platform e.g. autonomous surface vessels, buoys or boats
Sub-grid-scale description of turbulent magnetic reconnection in magnetohydrodynamics
Authors: Widmer F. , Büchner J. , Yokoi N.
Published: April 2016

Magnetic reconnection requires, at least locally, a non-ideal plasma response. In collisionless space and astrophysical plasmas, turbulence could transport energy from large to small scales where binary particle collisions are rare. We have investigated the influence of small scale magnetohydrodynamics (MHD) turbulence on the reconnection rate in the framework of a compressible MHD approach including sub-grid-scale (SGS) turbulence. For this sake, we considered Harris-type and force-free current sheets with finite guide magnetic fields directed out of the reconnection plane. The goal is to find out whether unresolved by conventional simulations MHD turbulence can enhance the reconnection process in high-Reynolds-number astrophysical plasmas. Together with the MHD equations, we solve evolution equations for the SGS energy and cross-helicity due to turbulence according to a Reynolds-averaged turbulence model. The SGS turbulence is self-generated and -sustained through the inhomogeneities of the mean fields. By this way, the feedback of the unresolved turbulence into the MHD reconnection process is taken into account. It is shown that the turbulence controls the regimes of reconnection by its characteristic timescale τt. The dependence on resistivity was investigated for large-Reynolds-number plasmas for Harris-type as well as force-free current sheets with guide field. We found that magnetic reconnection depends on the relation between the molecular and apparent effective turbulent resistivity. We found that the turbulence timescale τt decides whether fast reconnection takes place or whether the stored energy is just diffused away to small scale turbulence. If the amount of energy transferred from large to small scales is enhanced, fast reconnection can take place. Energy spectra allowed us to characterize the different regimes of reconnection. It was found that reconnection is even faster for larger Reynolds numbers controlled by the molecular resistivity η, as long as the initial level of turbulence is not too large. This implies that turbulence plays an important role to reach the limit of fast reconnection in large Reynolds number plasmas even for smaller amounts of turbulence.
Evidence of feasible hardness test on Mars using ratio of ionic/neutral emission intensities measured with laser-induced breakdown spectroscopy in low pressure CO2 ambient gas
Authors: Abdulmadjid Syahrun Nur , Pardede Marincan , Suyanto Hery , Ramli Muliadi , Lahna Kurnia , Marpaung Alion Mangasi , Hedwig Rinda , Lie Zener Sukra , Kurniawan Davy Putra , Kurniawan Koo Hendrik , Lie Tjung Jie , Idris Nasrullah , Tjia May On , Kagawa Kiichiro
Published: April 2016

An experimental study is conducted on the possibility and viability of performing hardness measurement of the various stone and chert samples in low pressure (600 Pa) CO2 ambient gas, a condition that is encountered in the Mars atmosphere. For this study, a nanosecond Nd-YAG laser is employed to generate plasma emission from the samples with different degrees of hardness. This technique is developed in light of the role of the shock wave in the generation of a laser-induced plasma. It was previously shown that the speed of the shock front depends on the hardness of the sample, and a positive relationship was found between the speed of the shock front and the ionization rate of the ablated atoms. Hence, the ratio of the intensity between the Mg II 279.5 nm and Mg I 285.2 nm emission lines detected from the laser-induced plasma can be used to estimate the hardness of a material. In fact, it is shown that the ratio changes linearly with respect to changes of sample hardness. The result has thus demonstrated the feasibility and viability of using LIBS for non contact hardness measurement on Mars.