bluuebunny/crossref_metadata_2025 huggingface dataset:
Alanine and proline content modulate global sensitivity to discrete perturbations in disordered proteins
Authors: Perez Romel B. , Tischer Alexander , Auton Matthew , Whitten Steven T.
Published: September 2014

Molecular transduction of biological signals is understood primarily in terms of the cooperative structural transitions of protein macromolecules, providing a mechanism through which discrete local structure perturbations affect global macromolecular properties. The recognition that proteins lacking tertiary stability, commonly referred to as intrinsically disordered proteins (IDPs), mediate key signaling pathways suggests that protein structures without cooperative intramolecular interactions may also have the ability to couple local and global structure changes. Presented here are results from experiments that measured and tested the ability of disordered proteins to couple local changes in structure to global changes in structure. Using the intrinsically disordered N‐terminal region of the p53 protein as an experimental model, a set of proline (PRO) and alanine (ALA) to glycine (GLY) substitution variants were designed to modulate backbone conformational propensities without introducing non‐native intramolecular interactions. The hydrodynamic radius (Rh) was used to monitor changes in global structure. Circular dichroism spectroscopy showed that the GLY substitutions decreased polyproline II (PPII) propensities relative to the wild type, as expected, and fluorescence methods indicated that substitution‐induced changes in Rh were not associated with folding. The experiments showed that changes in local PPII structure cause changes in Rh that are variable and that depend on the intrinsic chain propensities of PRO and ALA residues, demonstrating a mechanism for coupling local and global structure changes. Molecular simulations that model our results were used to extend the analysis to other proteins and illustrate the generality of the observed PRO and alanine effects on the structures of IDPs. Proteins 2014; 82:3373–3384. © 2014 Wiley Periodicals, Inc.
Computational and experimental investigation of constitutive behavior in AraC
Authors: Lowe Mary , Gullotti David , Damjanovic Ana , Cheng Ann , Dirla Stephanie , Schleif Robert
Published: September 2014

Many mutations in the N‐terminal arm of AraC result in constitutive behavior in which transcription of the araBAD genes occurs even in the absence of arabinose. To begin to understand the mechanism underlying this class of mutations, we used molecular dynamics with self‐guided Langevin dynamics to simulate (1) wild‐type (WT) AraC, (2) known constitutive mutants resulting from alterations in the regulatory arm, particularly alanine and glycine substitutions at residue 8 because P8G is constitutive, whereas P8A behaves like wild type, and (3) selected variant AraC proteins containing alterations in the dimerization core. In all of the constitutive arm mutants, but not the WT protein, residues 37–42, which are located in the core of the dimerization domain, became restructured. This raised the question of whether or not these structural changes are an obligatory component of constitutivity. Using molecular dynamics, we identified alterations in the core that produced a similar restructuring. The corresponding mutants were constructed and their ara constitutivity status was determined experimentally. Because the core mutants were not found to be constitutive, we conclude that restructuring of core residues 37–42 does not, itself, lead to constitutivity of AraC. The available data lead to the hypothesis that the interaction of the N‐terminal arm with something other than the front lip is the primary determinant of the inducing versus repressing state of AraC. Proteins 2014; 82:3385–3396. © 2014 Wiley Periodicals, Inc.
Hamiltonian replica exchange combined with elastic network analysis to enhance global domain motions in atomistic molecular dynamics simulations
Authors: Ostermeir Katja , Zacharias Martin
Published: September 2014

Coarse‐grained elastic network models (ENM) of proteins offer a low‐resolution representation of protein dynamics and directions of global mobility. A Hamiltonian‐replica exchange molecular dynamics (H‐REMD) approach has been developed that combines information extracted from an ENM analysis with atomistic explicit solvent MD simulations. Based on a set of centers representing rigid segments (centroids) of a protein, a distance‐dependent biasing potential is constructed by means of an ENM analysis to promote and guide centroid/domain rearrangements. The biasing potentials are added with different magnitude to the force field description of the MD simulation along the replicas with one reference replica under the control of the original force field. The magnitude and the form of the biasing potentials are adapted during the simulation based on the average sampled conformation to reach a near constant biasing in each replica after equilibration. This allows for canonical sampling of conformational states in each replica. The application of the methodology to a two‐domain segment of the glycoprotein 130 and to the protein cyanovirin‐N indicates significantly enhanced global domain motions and improved conformational sampling compared with conventional MD simulations. Proteins 2014; 82:3410–3419. © 2014 Wiley Periodicals, Inc.
Nitrogen inserting in fluorinated graphene via annealing of acetonitrile intercalated graphite fluoride
Authors: Fedoseeva Yu. V. , Okotrub A. V. , Asanov I. P. , Pinakov D. V. , Chekhova G. N. , Tur V. A. , Plyusnin P. E. , Vyalikh D. V. , Bulusheva L. G.
Published: September 2014

Fluorinated graphite intercalation compounds (FGICs) with acetonitrile C2Fx · yCH3CN (x = 0.92, 0.69, and 0.49) have been synthesized using a gaseous mixture of BrF3 and Br2 at room temperature and subsequent replacement of the reaction medium components on acetonitrile by isopiestic method. The change in functional composition and electronic structure of FGICs under annealing at 250–260 °C was studied by infrared, X‐ray photoelectron, and near‐edge X‐ray absorption fine structure spectroscopy (NEXAFS) methods. Analysis of the data revealed interaction of acetonitrile with a C2Fx matrix. The X‐ray spectra detected formation of new nitrogen species attributed to two‐coordinated and mono hydrogenated three‐coordinated atoms. Mechanism of nitrogen incorporation in the fluorinated graphene layers was proposed.

Schematic structure of graphite fluoride C2Fx intercalated with acetonitrile and NEXAFS N K‐edge spectrum of C2F0.69 · 0.137CH3CN before and after annealing at 250 °C.
Improvement and optimized implementation of cryptoGPS protocol for low‐cost radio‐frequency identification authentication
Authors: Dong Qingkuan , Ding Wenxiu , Wei Lili
Published: September 2014

In radio‐frequency identification (RFID) authentication technology, the authentication schemes between reader and tag based on public‐key cryptography (PKC) are much better than those based on symmetric‐key cryptography in terms of expanding the scale of RFID applications and the style of providing service, while the limitation of resource consumption and computation capability of RFID tags makes it difficult to apply traditional PKC to RFID authentications. The cryptoGPS protocol based on PKC proposed by Mcloone and Robshaw suits low‐cost RFID system well, but it just achieves one‐way authentication, and the authentication times are very limited, which makes it vulnerable to coupons‐exhausted DoS attacks. To solve these problems, cryptoGPS protocol is greatly improved to realize the mutual authentication between RFID reader and the tag. In the improved protocol, a readers' public key distribution scheme is proposed to support the mutual authentication and a coupons updating algorithm is presented to resist the aforementioned DoS attack. Moreover, a modified Rabin encryption algorithm and a parameter generation method based on Low Hamming Weight technology are proposed to optimize the implementation of the proposed authentication protocol. And a feasible hardware structure of the protocol is also given. The protocol's simulation results show that the scheme just needs 3232 equivalent gates, and the maximum time of single step is 3.3 ms (500 k clock). The scheme is suitable for the low‐cost tags. Copyright © 2014 John Wiley & Sons, Ltd.
Cesium/Xenon dual beam sputtering in a Cameca instrument
Authors: Pureti R. , Douhard B. , Joris D. , Merkulov A. , Vandervorst W.
Published: September 2014

Although the use of cesium (or oxygen) primary ions in secondary ion mass spectrometry (SIMS) enabled its success in microelectronics, issues arise at ultra‐low energies, as required for extreme depth resolution, as the sputter yield becomes very small such that one enters the regime of ion beam deposition instead of material erosion. A potential solution is then to lower the Cs supply by using a Cs/Xe co‐sputtering as introduced by ION‐TOF and explored extensively by J. Brison.

In this work, we describe a somewhat similar implementation in a Cameca SC Ultra and assess its performance and impact on ion yields. Because of the specific Cameca instrumental configuration, one alternates with short time intervals between Cs+ and Xe+ primary ions in the same ion column. Depending on the time intervals used, this approach leads to either quasi‐simultaneous sputtering (intervals ~80 ms) or sequential (intervals >1 s) sputtering. An exponential variation of the Si− yield is observed when the Cs beam fraction varies from 0 (Xe) to 1 (Cs) and is ascribed to the corresponding increase in the near surface Cs concentration, CCs. Moreover, we observed detailed timing effects of the beams implying that the same nominal CCs may lead to different secondary ion yields suggesting effectively a different CCs. These effects are further investigated by observing the finer details of Cs accumulation and migration mechanisms in situ. Finally, when analysing SiGe/Si layers, it is found that with increasing Cs/Xe ratio, the decay lengths tend to decrease whereas matrix effects at interfaces show an opposite trend. Copyright © 2014 John Wiley & Sons, Ltd.
The Peto odds ratio viewed as a new effect measure
Authors: Brockhaus A. Catharina , Bender Ralf , Skipka Guido
Published: September 2014

Meta‐analysis has generally been accepted as a fundamental tool for combining effect estimates from several studies. For binary studies with rare events, the Peto odds ratio (POR) method has become the relative effect estimator of choice. However, the POR leads to biased estimates for the OR when treatment effects are large or the group size ratio is not balanced. The aim of this work is to derive the limit of the POR estimator for increasing sample size, to investigate whether the POR limit is equal to the true OR and, if this is not the case, in which situations the POR limit is sufficiently close to the OR. It was found that the derived limit of the expected POR is not equivalent to the OR, because it depends on the group size ratio. Thus, the POR represents a different effect measure. We investigated in which situations the POR is reasonably close to the OR and found that this depends only slightly on the baseline risk within the range (0.001; 0.1) yet substantially on the group size ratio and the effect size itself. We derived the maximum effect size of the POR for different group size ratios and tolerated amounts of bias, for which the POR method results in an acceptable estimator of the OR. We conclude that the limit of the expected POR can be regarded as a new effect measure, which can be used in the presented situations as a valid estimate of the true OR. Copyright © 2014 John Wiley & Sons, Ltd.
Functional screening of a cDNA library from the desiccation-tolerant plant Selaginella lepidophylla in yeast mutants identifies trehalose biosynthesis genes of plant and microbial origin
Authors: Pampurova Suzana , Verschooten Katrien , Avonce Nelson , Van Dijck Patrick
Published: September 2014

Trehalose is a non-reducing disaccharide that accumulates to large quantities in microbial cells, but in plants it is generally present in very low, barely-detectible levels. A notable exception is the desiccation-tolerant plant Selaginella lepidophylla, which accumulates very high levels of trehalose in both the hydrated and dehydrated state. As trehalose is known to protect membranes, proteins, and whole cells against dehydration stress, we have been interested in the characterization of the trehalose biosynthesis enzymes of S. lepidophylla; they could assist in engineering crop plants towards better stress tolerance. We previously isolated and characterized trehalose-6-phosphate synthases from Arabidopsis thaliana (desiccation sensitive) and S. lepidophylla (desiccation tolerant) and found that they had similar enzymatic characteristics. In this paper, we describe the isolation and characterization of trehalose-6-phosphate phosphatase from S. lepidophylla and show that its catalytic activities are also similar to those of its homolog in A. thaliana. Screening of an S. lepidophylla cDNA library using yeast trehalose biosynthesis mutants resulted in the isolation of a large number of trehalose biosynthesis genes that were of microbial rather than plant origin. Thus, we suggest that the high trehalose levels observed in S. lepidophylla are not the product of the plant but that of endophytes, which are known to be present in this plant. Additionally, the high trehalose levels in S. lepidophylla are unlikely to account for its desiccation tolerance, because its drought-stress-sensitive relative, S. moellendorffii, also accumulated high levels of trehalose.
Phenotypic characterisation of Saccharomyces spp. for tolerance to 1-butanol
Authors: Zaki A M , Wimalasena T T , Greetham D
Published: September 2014

Biofuels are expected to play a role in replacing crude oil as a liquid transportation fuel, and research into butanol has highlighted the importance of this alcohol as a fuel. Butanol has a higher energy density than ethanol, butanol–gasoline blends do not separate in the presence of water, and butanol is miscible with gasoline (Szulczyk, Int J Energy Environ 1(1):2876–2895, 40). Saccharomyces cerevisiae has been used as a fermentative organism in the biofuel industry producing ethanol from glucose derived from starchy plant material; however, it typically cannot tolerate butanol concentrations greater than 2 % (Luong, Biotechnol Bioeng 29 (2):242–248, 27). 90 Saccharomyces spp. strains were screened for tolerance to 1-butanol via a phenotypic microarray assay and we observed significant variation in response with the most tolerant strains (S. cerevisiae DBVPG1788, S. cerevisiae DBVPG6044 and S. cerevisiae YPS128) exhibiting tolerance to 4 % 1-butanol compared with S. uvarum and S. castelli strains, which were sensitive to 3 % 1-butanol. Response to butanol was confirmed using traditional yeast methodologies such as growth; it was observed that fermentations in the presence of butanol, when using strains with a tolerant background, were significantly faster. Assessing for genetic rationale for tolerance, it was observed that 1-butanol-tolerant strains, when compared with 1-butanol-sensitive strains, had an up-regulation of RPN4, a transcription factor which regulates proteasome genes. Analysing for the importance of RPN4, we observed that a Δrpn4 strain displayed a reduced rate of fermentation in the presence of 1-butanol when compared with the BY4741 background strain. This data will aid the development of breeding programmes to produce better strains for future bio-butanol production.
Large solutions to elliptic equations involving fractional Laplacian
Authors: Chen Huyuan , Felmer Patricio , Quaas Alexander
Published: September 2014

The purpose of this paper is to study boundary blow up solutions for semi-linear fractional elliptic equations of the form

\begin{cases}
(−\mathrm{\Delta })^{\alpha }u(x) + |u|^{p−1}u(x) = f(x), & x \in \Omega , \\
u(x) = 0, & x \in \bar \Omega^{c}, \\
\lim\limits_{x \in \Omega ,x\rightarrow \partial \Omega }⁡u(x) = + \infty , &
\end{cases}

where

p > 1

,

Ω

is an open bounded

C^{2}

domain of

\mathbb{R}^{N}

,

N \geq 2

, the operator

(−\mathrm{\Delta })^{\alpha }

with

\alpha \in (0,1)

is the fractional Laplacian and

f:\Omega \rightarrow \mathbb{R}

is a continuous function which satisfies some appropriate conditions. We obtain that problem (0.1) admits a solution with boundary behavior like

d(x)^{−\frac{2\alpha }{p−1}}

, when

1 + 2\alpha < p < 1−\frac{2\alpha }{\tau _{0}(\alpha )}

, for some

\tau _{0}(\alpha ) \in (−1,0)

, and has infinitely many solutions with boundary behavior like

d(x)^{\tau _{0}(\alpha )}

, when

\mathrm{\max }⁡\{1−\frac{2\alpha }{\tau _{0}} + \frac{\tau _{0}(\alpha ) + 1}{\tau _{0}},1\} < p < 1−\frac{2\alpha }{\tau _{0}}

. Moreover, we also obtained some uniqueness and non-existence results for problem (0.1).
‘THE CHIEFS, ELDERS, AND PEOPLE HAVE FOR MANY YEARS SUFFERED UNTOLD HARDSHIPS’: PROTESTS BY COALITIONS OF THE EXCLUDED IN BRITISH NORTHERN TOGOLAND, UN TRUSTEESHIP TERRITORY, 1950–7
Authors: Stacey Paul
Published: September 2014

This article examines the use of tradition by minority groups whose territorial incorporation into British Northern Togoland under UN trusteeship was marked by political exclusion. This contrasts with the more typical pattern of productive and inclusive relations developing between chiefs and the administering authority within the boundaries of what was to become Ghana. In East Gonja, marginalized groups produced their own chiefs while simultaneously appealing to the UN Trusteeship Council to protect their native rights. The article contributes to studies on the limits of the ‘invention of tradition’ by showing the influence of external structures on African agency and organization. As the minority groups sought UN support on the basis of their native status, the colonial power affirmed alternative versions of tradition that were perceived locally as illegitimate and thereby rendered ineffective.
RATIONAL REQUIREMENTS AND REASONING
Authors: Pauer-Studer Herlinde
Published: September 2014

This critical note concerns John Broome's bookRationality through Reasoning(2013). Broome claims that rationality amounts to satisfying rational requirements as opposed to responding correctly to reasons. My critique focuses on two issues. First, I try to show that Broome's account of rational requirements, in particular his answer to the so-called ‘symmetry-problem’, presupposes that responding correctly to reasons is part of rationality. Secondly, in discussing Broome's account of reasoning I criticize his claim that first-order reasoning involves no appeal to reasons and, hence, no normative thoughts on behalf of the reasoner.
Association Between Interleukin-6 and Neurocognitive Performance as a Function of Self-Reported Lifetime Marijuana Use in a Community Based Sample of African American Adults
Authors: Keen Larry , Turner Arlener D.
Published: September 2014

The purpose of the current study was to determine if self-reported lifetime marijuana use moderates the relationship between interleukin-6 (IL-6) and neurocognitive performance. Participants included 161 African American adults (50.3% women), with a mean age of 45.24 (SD=11.34). Serum was drawn upon entry into the study and participants completed a demographic questionnaire, which included drug use history, and a battery of neuropsychological tests. Using multiple regression analyses and adjusting for demographic covariates, the interaction term comprised of IL-6 and self-reported lifetime marijuana use was significantly associated with poorer performance on the Written (β=−.116; SE=.059; p=.049) and Oral trials (β=−.143; SE=.062; p=.022) of the Symbol Digit Modalities Test, as well as the Trail Making Test trial A (β=.157; SE=.071; p=.028). Current findings support previous literature, which presents the inverse relationship between IL-6 and neurocognitive dysfunction. The potential protective properties of marijuana use in African Americans, who are at increased risk for inflammatory diseases, are discussed. (JINS, 2014, 20, 773–783)
The non-existence of private self-regulation in the transnational sphere and its implications for the responsibility to procure legitimacy: The case of thelex sportiva
Authors: WOLF KLAUS DIETER
Published: September 2014

This article is a critical examination of the claim that the emergence of private self-regulatory regimes in the transnational sphere signals a new trend of self-constitutionalization outside the limits of nation-state based or intergovernmental control. It deals with the question to what extent the diffusion of public authority in the sphere beyond the state affects the responsibility of the state(s) to procure the legitimacy of such private self-regulation. First, a conceptual argument is developed which identifies private self-regulatory regimes as rule systems nested in a specific constitutional order of the international society, here described as ‘neo-Westphalian’ (Section I). Second, implications for the responsibility to procure the legitimacy of collectively binding regulatory functions performed by private actors in the sphere beyond the state are considered (Section II). Often cited as a model example of autonomous societal self-regulation, thelex sportivarenders particularly strong plausibility for the claimed non-existence of purely private self-regulation. The regulation of performance-enhancing substances can serve to demonstrate the complex interactions between multiple public and private sites of constitutional authority (Section III). In conclusion (Section IV), I argue that, although the ultimate responsibility for providing legitimacy continues to lie with the state/world of states, the political order of the international society as construed in neo-Westphalian terms provides a dispersed and fragmented constitutional-style legal framework with few reliable guarantees that states are capable or willing to enact their background role. Therefore, a substantial part of the burden of – initial – legitimation must be carried by those directly involved in private self-regulation by constituting and exercising public authority.
The Destructiveness of Perfectionism Revisited: Implications for the Assessment of Suicide Risk and the Prevention of Suicide
Authors: Flett Gordon L. , Hewitt Paul L. , Heisel Marnin J.
Published: September 2014

Although perfectionism is recognized as a factor that is linked with suicide, we maintain that the role of perfectionism as an amplifier of the risk of suicide has been underestimated due to several factors. In the current article, contemporary research on the role of perfectionism in suicide is reviewed and summarized. Several themes are addressed, including: (a) consistent evidence linking suicide ideation with chronic exposure to external pressures to be perfect (i.e., socially prescribed perfectionism); (b) the roles of perfectionistic self-presentation and self-concealment in suicides that occur without warning; and (c) how perfectionism contributes to lethal suicide behaviors. We also summarize data showing consistent links between perfectionism and hopelessness and discuss the need for a person-centered approach that recognizes the heightened risk for perfectionists who also tend to experience hopelessness, psychache, life stress, overgeneralization, and a form of emotional perfectionism that restricts the willingness to disclose suicidal urges and intentions. It is concluded that when formulating clinical guidelines for suicide risk assessment and intervention and public health approaches to suicide prevention, there is an urgent need for an expanded conceptualization of perfectionism as an individual and societal risk factor. We also discuss why it is essential to design preventive programs tailored to key personality features with specific components that should enhance resilience and reduce levels of risk among perfectionists who hide behind a mask of apparent invulnerability.
Critical Psychiatry, Critical Psychology, and the Behaviorism of B. F. Skinner
Authors: Goddard Murray J.
Published: September 2014

Critical psychiatry suggests that the currently dominant medical model in psychiatry overstates internal disturbance and understates environmental stressors as important causal factors in psychological distress. Critical psychology suggests that when individuals experience problems in a culture, psychology emphasizes individual, rather than cultural, change. This article provides a brief overview of critical psychiatry and critical psychology and outlines how both movements share important epistemological similarities with the writings of B. F. Skinner, the founder of radical behaviorism.
The Developmental Origins of Personality Factors from the Self-Definitional and Relatedness Domains: A Review of Theory and Research
Authors: Kopala-Sibley Daniel C. , Zuroff David C.
Published: September 2014

This paper reviews theory and research on the developmental origins of several widely studied personality vulnerabilities to psychopathology that represent the self-definitional (self-criticism, autonomy, and perfectionism) or relatedness (dependency and sociotropy) domains identified in Blatt's (2008) , Blatt and Shichman's (1983) , and Beck's ( Beck et al., 1983 ) 2-polarities models of personality. We examine the evidence for the effects of both parenting and peer relationships. We conclude that there is a robust relationship between negative parenting behaviors and the 5 personality vulnerabilities reviewed here which pertain to both self-definition and relatedness, with recent evidence suggesting a possible effect of peer relationships over and above parents. The available evidence suggests that all of the negative developmental experiences studied to date contribute to the development of all the personality vulnerabilities reviewed here. In light of this, we suggest possible mechanisms through which adverse developmental experiences may affect personality factors pertaining to self-definition and relatedness. We also suggest that there may be commonalities across the developmental experiences, such that they result in similar developmental consequences. Although there is now much research on the development of these personality factors, there is still relatively little research examining the roles of factors other than parents and peers, including siblings, romantic partners, environmental changes, and genetics, and we conclude by proposing a revised model of the development of self-definition and relatedness in order to outline future directions for this research field.
Filling schemes at submicron scale: Development of submicron sized plasmonic colour filters
Authors: Rajasekharan Ranjith , Balaur Eugeniu , Minovich Alexander , Collins Sean , James Timothy D. , Djalalian-Assl Amir , Ganesan Kumaravelu , Tomljenovic-Hanic Snjezana , Kandasamy Sasikaran , Skafidas Efstratios , Neshev Dragomir N. , Mulvaney Paul , Roberts Ann , Prawer Steven
Published: September 2014

The pixel size imposes a fundamental limit on the amount of information that can be displayed or recorded on a sensor. Thus, there is strong motivation to reduce the pixel size down to the nanometre scale. Nanometre colour pixels cannot be fabricated by simply downscaling current pixels due to colour cross talk and diffraction caused by dyes or pigments used as colour filters. Colour filters based on plasmonic effects can overcome these difficulties. Although different plasmonic colour filters have been demonstrated at the micron scale, there have been no attempts so far to reduce the filter size to the submicron scale. Here, we present for the first time a submicron plasmonic colour filter design together with a new challenge - pixel boundary errors at the submicron scale. We present simple but powerful filling schemes to produce submicron colour filters, which are free from pixel boundary errors and colour cross- talk, are polarization independent and angle insensitive and based on LCD compatible aluminium technology. These results lay the basis for the development of submicron pixels in displays, RGB-spatial light modulators, liquid crystal over silicon, Google glasses and pico-projectors.
Impurities as a quantum thermometer for a Bose-Einstein condensate
Authors: Sabín Carlos , White Angela , Hackermuller Lucia , Fuentes Ivette
Published: September 2014

We introduce a primary thermometer which measures the temperature of a Bose-Einstein Condensate in the sub-nK regime. We show, using quantum Fisher information, that the precision of our technique improves the state-of-the-art in thermometry in the sub-nK regime. The temperature of the condensate is mapped onto the quantum phase of an atomic dot that interacts with the system for short times. We show that the highest precision is achieved when the phase is dynamical rather than geometric and when it is detected through Ramsey interferometry. Standard techniques to determine the temperature of a condensate involve an indirect estimation through mean particle velocities made after releasing the condensate. In contrast to these destructive measurements, our method involves a negligible disturbance of the system.
Concentration dependence of translational diffusion coefficients for globular proteins
Authors: Scott David J. , Harding Stephen E. , Winzor Donald J.
Published: September 2014

This investigation examines published results of traditional diffusion experiments on ovalbumin and bovine serum albumin to determine the extent to which assumed concentration independence of the translational diffusion coefficient is a reasonable approximation in the analysis of boundary spreading in sedimentation velocity experiments on proteins.
A TEM protocol for quality assurance of in vitro cellular barrier models and its application to the assessment of nanoparticle transport mechanisms across barriers
Authors: Ye Dong , Dawson Kenneth A. , Lynch Iseult
Published: September 2014

A comprehensive transmission electron microscopy imaging protocol to characterisein vitrohuman cell barriers and study mechanisms of nanoparticle transport.
Highly efficient molecular nickel catalysts for electrochemical hydrogen production from neutral water
Authors: Zhang Peili , Wang Mei , Yang Yong , Zheng Dehua , Han Kai , Sun Licheng
Published: September 2014

Nickel complexes containing N5-pentadentate scaffolds display a TON of H2 evolution of up to 308 000 over 60 h electrolysis in neutral water at −1.25 V vs. SHE without considerable loss in activity.
Multiple band light trapping in ultraviolet, visible and near infrared regions with TiO2 based photonic materials
Authors: Zhang Zhonghai , Wu Hongjun
Published: September 2014

TiO2 based photonic materials demonstrated multiple band light trapping activity in ultraviolet, visible and near infrared regions.
A lithium anode protection guided highly-stable lithium–sulfur battery
Authors: Ma Guoqiang , Wen Zhaoyin , Wu Meifen , Shen Chen , Wang Qingsong , Jin Jun , Wu Xiangwei
Published: September 2014

A Li3N protection layer is fabricated on the surface of a Li anode by anin situmethod to suppress the shuttle effect on the basis of anode protection.
Mechanical exfoliation of track-etched two-dimensional layered materials for the fabrication of ultrathin nanopores
Authors: Jiang Yanan , Gao Jun , Guo Wei , Jiang Lei
Published: September 2014

Mechanical exfoliation of ion-track-etched two-dimensional layered materials yields nanometer-thin nanoporous sheets that can be suspended atop a silicon window to controllably fabricate single- or multi-pore nanofluidic devices.
Non-heme iron hydroperoxo species in superoxide reductase as a catalyst for oxidation reactions
Authors: Rat S. , Ménage S. , Thomas F. , Nivière V.
Published: September 2014

The non-heme high-spin ferric iron hydroperoxo species formed in superoxide reductase can act both as a nucleophile and as an electrophile to catalyze oxidation reactions.
Amide and N-oxide functionalization of T-shaped ligands for isoreticular MOFs with giant enhancements in CO2 separation
Authors: Xiong Ying , Fan Yan-Zhong , Yang Rui , Chen Sha , Pan Mei , Jiang Ji-Jun , Su Cheng-Yong
Published: September 2014

N-Oxidization of a T-shaped ligand has proven to be an effective way to enhance CO2 adsorption enthalpy and selectivity in porous MOFs for the first time.
A water-soluble supramolecular polymer constructed by pillar[5]arene-based molecular recognition
Authors: Shi Bingbing , Xia Danyu , Yao Yong
Published: September 2014

A water-soluble linear supramolecular polymer was efficiently constructed driven by pillar[5]arene-based host–guest molecular recognition.
Direct regioselective phosphonation of heteroaryl N-oxides with H-phosphonates under metal and external oxidant free conditions
Authors: Wang Hui , Cui Xiuling , Pei Yu , Zhang Qianqian , Bai Jie , Wei Donghui , Wu Yangjie
Published: September 2014

A direct C–H/P–H functionalization of heteroaryl N-oxides with H-phosphonates under metal and oxidant free conditions was developed. Various heteroaryl phosphonate derivatives were obtained in up to 92% yield in a chemo- and regioselective manner.
Photoluminescence of the first examples of metal–organic frameworks with two novel tetrazolatephenyl acetic acid derivatives: an experimental and theoretical study
Authors: Calahorro Antonio J. , Macchi Piero , Salinas-Castillo Alfonso , Sebastián Eider San , Seco José M. , Rodríguez-Diéguez Antonio
Published: September 2014

We report the first Zn metal–organic frameworks with 1,3-tetrazolatephenyl-acetic and 1,4-tetrazolatephenyl-acetic spacers.
Cobalt(ii)–pyrazine–chloride coordination polymers: synthesis, reactivity and magnetic properties
Authors: de Campos Elvio Antonio , Silva Nuno J. O. , Shi Fa-Nian , Rocha João
Published: September 2014

The interconversion of coordination polymers [CoCl2pyz]nand [CoCl2(pyz)2]nis prompted by reversible pyrazine insertion–removal, switching the magnetic behavior between one-dimensional ferromagnetic and purely paramagnetic states.
Binding is responsible for exceptional hardness in polyethylene/silicalite nanocomposite materials
Authors: Maschio Lorenzo
Published: September 2014

Mechanical properties of PESIL – a novel polyethylene/silicalite nanocomposite material – were studied in detail through ab initio calculations.
Synthesis of an extended halogen-bonded metal–organic structure in a one-pot mechanochemical reaction that combines covalent bonding, coordination chemistry and supramolecular synthesis
Authors: Cinčić Dominik , Friščić Tomislav
Published: September 2014

We describe a four-component one-pot mechanochemical reaction which combines the formation of covalent bonds, coordination bonds and halogen bonds to obtain an extended structure based on halogen-bonded metal–organic units.
Barrierless tautomerization of Criegee intermediates via acid catalysis
Authors: Kumar Manoj , Busch Daryle H. , Subramaniam Bala , Thompson Ward H.
Published: September 2014

Electronic structure calculations indicate that the organic acids catalyze the tautomerization of Criegee intermediates via a 1,4 β-hydrogen atom transfer to yield a vinyl hydroperoxide to such an extent that it becomes a barrierless process.
Anomalous diffusion models and their properties: non-stationarity, non-ergodicity, and ageing at the centenary of single particle tracking
Authors: Metzler Ralf , Jeon Jae-Hyung , Cherstvy Andrey G. , Barkai Eli
Published: September 2014

This Perspective summarises the properties of a variety of anomalous diffusion processes and provides the necessary tools to analyse and interpret recorded anomalous diffusion data.
An acid-stable Zn(ii) complex: electrodeposition in sulfuric acid and the effect on the zinc–lead dioxide battery
Authors: Zhang Miao Miao , Gong Yun , Zhang Pan , Shi Hui Fang , Lin Jian Hua
Published: September 2014

An acid-stable Zn(ii) complex with a 3D dense architecture can be synthesized hydrothermally or via electrodeposition in sulfuric acid.
Fast cascade neutralization of an oxidized sensitizer by an in situ-generated ionic layer of I− species on a nanocrystalline TiO2 electrode
Authors: Lim Jongchul , Kim Taewan , Park Taiho
Published: September 2014

A novel coadsorbent including three terminal double bonds reacted with I2 and generated ionic complexes on the surface of TiO2. The in situ-generated ionic layer accelerated the neutralization rate of dye+ and decreased the recombination reactions with dye+ and I3− due to coadsorbent effects, resulting in 22% higher power conversion efficiency, even at 15% low dye loading, compared to the conventional device.
Simultaneous and selective recovery of cellulose and hemicellulose fractions from wheat bran by supercritical water hydrolysis
Authors: Cantero Danilo A. , Martínez Celia , Bermejo M. D. , Cocero M. J.
Published: September 2014

A contribution to biomass conversion into sugars and lignin using a compact reactor that is easy to scale-up was made. Wheat bran was continuously fractionated under supercritical water conditions.
Proteomic analysis of rhein-induced cyt: ER stress mediates cell death in breast cancer cells
Authors: Huang Hui-Ju , Lin Chi-Chen , Chou Hsiu-Chuan , Chen Yi-Wen , Lin Szu-Ting , Lin Yi-Chieh , Lin Dai-Ying , Lyu Kevin W. , Chan Hong-Lin
Published: September 2014

Rhein promotes misfolding of cellular proteins as well as unbalancing of the cellular redox status leading to ER-stress.
The status of the lysophosphatidic acid receptor type 1 (LPA1R)
Authors: González-Gil Inés , Zian Debora , Vázquez-Villa Henar , Ortega-Gutiérrez Silvia , López-Rodríguez María L.
Published: September 2014

The current status of the LPA1receptor and its ligands in the drug development pipeline is reviewed.
A kinetic analysis of CO release from a diiron hexacarbonyl complex promoted by amino acids
Authors: Chen Limei , Jiang Xiujuan , Wang Xiu , Long Li , Zhang Jiayao , Liu Xiaoming
Published: September 2014

CO release from [Fe2{μ-SCH2CH(OH)CH2(OH)}(CO)6] initiated by amino acids depends highly on the nature of the acids. Among the examined amino acids, glutamate, a ligand with a chelating effect and an additional functional group, exhibits the best efficiency in promoting the CO release.
Stability and electronic structures of substituted tetrahedranes, silicon and germanium parents – a DFT, ADMP, QTAIM and GVB study
Authors: Monteiro Norberto K. V. , de Oliveira José F. , Firme Caio L.
Published: September 2014

The electronic structures and the stability of tetrahedrane, substituted tetrahedranes and silicon and germanium parents have been studied at ωB97XD/6-311++G(d,p) level of theory.
Morphology-controlled dual clickable nanoparticles via ultrasonic-assisted click polymerization
Authors: Hou Yong , Cao Shoupeng , Wang Lin , Pei Yuxin , Zhang Guoyun , Zhang Siwen , Pei Zhichao
Published: September 2014

Morphology-controlled dual clickable nanoparticles (DCNPs) were synthesized in one stepviaultrasonic-assisted azide–alkyne click polymerization.
Hetero-nuclear coordinated compounds for use in high-performance supercapacitor electrode material design
Authors: Mi Liwei , Gao Yang , Cui Shizhong , Hou Hongwei , Chen Weihua
Published: September 2014

Ni–Co complexes are prepared using cobalt coordination complex as precursors by nickel exchange method. Single-crystal to single-crystal transformation had been achieved. Using Ni–Co complex as the precursors, we have synthesized a series of 3D hierarchical NixCo3−xS4 microflowers electrode materials for supercapacitors.
Controlled synthesis of ZnGa2O4 nanorod arrays from hexagonal ZnO microdishes and their photocatalytic activity on the degradation of RhB
Authors: Li Zesheng , Li Bolin , Liu Zhenghui , Li Dehao , Ge Chunyu , Fang Yueping
Published: September 2014

Novel ZnGa2O4 nanorod arrays have been controllably synthesized from hexagonal ZnO microdishes; high photocatalytic activity was demonstrated for the degradation of RhB under UV light radiation.
Development of reactive extraction systems for itaconic acid: a step towards in situ product recovery for itaconic acid fermentation
Authors: Kaur Guneet , Elst Kathy
Published: September 2014

Process optimization by integration of bioconversion with product separation and recovery i.e. in situ product recovery (ISPR) is an important means to develop a sustainable and petrochemical-competitive biotechnological method for itaconic acid production.
Extraction of iridium(iv) from aqueous solutions using hydrophilic/hydrophobic ionic liquids
Authors: Papaiconomou Nicolas , Billard Isabelle , Chainet Eric
Published: September 2014

Removal of iridium(iv) using hydrophilic or hydrophobic ionic liquids was studied. IrCl62−anionic metal complexes were precipitated out from water using bromide-based ionic liquids, yielding water-insoluble salts with lowKsvalues. Liquid–liquid extraction of Ir(iv) using [NTf2]-based ionic liquids yielded distribution coefficients up to 70 with [OMIM][NTf2] at pH 2.
Synthesis and characterization of mixed phase anatase TiO2 and sodium-doped TiO2(B) thin films by low pressure chemical vapour deposition (LPCVD)
Authors: Chimupala Yothin , Hyett Geoffrey , Simpson Robert , Mitchell Robert , Douthwaite Richard , Milne Steven J. , Brydson Richard D.
Published: September 2014

Mixed phase anatase TiO2 and TiO2(B) thin films were synthesized using Low Pressure Chemical Vapour Deposition (LPCVD) onto glass substrates.
Pure-silica ZSM-22 zeolite rapidly synthesized by novel ionic liquid-directed dry-gel conversion
Authors: Wen Haimeng , Zhou Yu , Xie Jingyan , Long Zhouyang , Zhang Wei , Wang Jun
Published: September 2014

Rapid synthesis of pure-silica ZSM-22 was achieved through dry-gel conversion process by using ionic liquid as the structure directing agent.
Synthesis and thermal expansion property of (Ba0.5Sr0.5)0.9Bi0.1Co0.8Fe0.2O3−δ cathode materials for IT-SOFCs
Authors: Li Dechuan , Zhu Guangping , Zhang Yong-xing , Yang Yijun , Han Changbao
Published: September 2014

Perovskite cathode material, (Ba0.5Sr0.5)0.9Bi0.1Co0.8Fe0.2O3−δ (BSBCF-0.1), was synthesized by a combined citrate–EDTA complexing method for intermediate temperature solid oxide fuel cells.
Biocompatible hyperbranched epoxy/silver–reduced graphene oxide–curcumin nanocomposite as an advanced antimicrobial material
Authors: Barua Shaswat , Chattopadhyay Pronobesh , Phukan Mayur M. , Konwar Bolin K. , Islam Johirul , Karak Niranjan
Published: September 2014

Hyperbranched epoxy/silver–reduced graphene oxide immobilized curcumin nanocomposite as an antimicrobial material.
Mussel-inspired synthesis of polydopamine-functionalized calcium carbonate as reusable adsorbents for heavy metal ions
Authors: Li Chengyong , Qian Zhong-ji , Zhou Chunxia , Su Weiming , Hong Pengzhi , Liu Shucheng , He Lei , Chen Zhimeng , Ji Hongwu
Published: September 2014

A new high-efficiency adsorbent (PDA-CaCO3) is fabricated via simple thermal calcination ostracean shells and chemical modification with dopamine. It can be easily regenerated by low-cost reagents, and exhibited high adsorption capacity after multiple adsorption–desorption cycles.
Electro-active phase formation in PVDF–BiVO4 flexible nanocomposite films for high energy density storage application
Authors: Sarkar Subrata , Garain Samiran , Mandal Dipankar , Chattopadhyay K. K.
Published: September 2014

A significant improvement of dielectric properties and toughness with electrical energy density up to 11 J cm−3 is observed in flexible PVDF–BiVO4 nanocomposite film. It underlines to use as flexible high energy density capacitors and piezoelectric based energy harvesters.
Using organic solvent absorption as a self-assembly method to synthesize three-dimensional (3D) reduced graphene oxide (RGO)/poly(3,4-ethylenedioxythiophene) (PEDOT) architecture and its electromagnetic absorption properties
Authors: Wu Fan , Wang Yuan , Wang Mingyang
Published: September 2014

A novel self-assembling 3D-RGO/PEDOT architecture has been synthesized through organic solvent absorption and gentle heating. It gives a promising application in electromagnetic absorption.
DNA display of fragment pairs as a tool for the discovery of novel biologically active small molecules
Authors: Daguer J.-P. , Zambaldo C. , Ciobanu M. , Morieux P. , Barluenga S. , Winssinger N.
Published: September 2014

A focused library for Hsp70 was prepared from fragments identified from an array combinatorially pairing two libraries of small molecule fragments. Screening of the focus library yielded high affinity ligand to Hsp70.
Sodium deficient nickel–manganese oxides as intercalation electrodes in lithium ion batteries
Authors: Kalapsazova M. , Stoyanova R. , Zhecheva E. , Tyuliev G. , Nihtianova D.
Published: September 2014

The capability of sodium deficient nickel manganese oxides to participate in reactions of Li+intercalation and Na+/Li+exchange allows their use as low-cost electrode materials in lithium cells.
Carambola-shaped LiFePO4/C nanocomposites: directing synthesis and enhanced Li storage properties
Authors: Li Xueliang , Jin Hongchang , Liu Shuai , Xin Sen , Meng Yu , Chen Jiejie
Published: September 2014

Carambola-like LiFePO4@C synthesized using cholesteric benzoate as a structure-directing agent exhibits stable and extremely fast kinetics upon Li storage.
Biochemical characterization of P-type copper ATPases
Authors: Inesi Giuseppe , Pilankatta Rajendra , Tadini-Buoninsegni Francesco
Published: September 2014

Copper ATPases, in analogy with other members of the P-ATPase superfamily, contain a catalytic headpiece including an aspartate residue reacting with ATP to form a phosphoenzyme intermediate, and transmembrane helices containing cation-binding sites [TMBS (transmembrane metal-binding sites)] for catalytic activation and cation translocation. Following phosphoenzyme formation by utilization of ATP, bound copper undergoes displacement from the TMBS to the lumenal membrane surface, with no H+ exchange. Although PII-type ATPases sustain active transport of alkali/alkali-earth ions (i.e. Na+, Ca2+) against electrochemical gradients across defined membranes, PIB-type ATPases transfer transition metal ions (i.e. Cu+) from delivery to acceptor proteins and, prominently in mammalian cells, undergo trafficking from/to various membrane compartments. A specific component of copper ATPases is the NMBD (N-terminal metal-binding domain), containing up to six copper-binding sites in mammalian (ATP7A and ATP7B) enzymes. Copper occupancy of NMBD sites and interaction with the ATPase headpiece are required for catalytic activation. Furthermore, in the presence of copper, the NMBD allows interaction with protein kinase D, yielding phosphorylation of serine residues, ATP7B trafficking and protection from proteasome degradation. A specific feature of ATP7A is glycosylation and stabilization on plasma membranes. Cisplatin, a platinum-containing anti-cancer drug, binds to copper sites of ATP7A and ATP7B, and undergoes vectorial displacement in analogy with copper.