bluuebunny/crossref_metadata_2025 huggingface dataset:
Objective assessment of changes in physical activity and sedentary behavior: Pre‐ through 3 years post‐bariatric surgery
Authors: King Wendy C. , Chen Jia‐Yuh , Bond Dale S. , Belle Steven H. , Courcoulas Anita P. , Patterson Emma J. , Mitchell James E. , Inabnet William B. , Dakin George F. , Flum David R. , Cook Brian , Wolfe Bruce M.
Published: May 2015

Objective

To evaluate change in sedentary behavior (SB) and physical activity (PA) over 3 years following bariatric surgery.

Methods

A subset of participants in an observational study (n = 473 of 2,458; 79% female, median body mass index 45 kg m−2) wore an activity monitor presurgery and at 1‐3 annual postsurgery assessments.

Results

Over the first year, on average, sedentary time decreased from 573 (95% CI: 563‐582) to 545 (95% CI: 534‐555) min days−1 and moderate‐ to vigorous‐intensity PA (MVPA) increased from 77 (95% CI: 71‐84) to 106 (95% CI: 98‐116) min week−1, or 7 (95% CI: 5‐10) to 24 (95% CI: 18‐29) min week−1 in MVPA bouts ≥10 min. There were no changes in these parameters from years 1 to 3 (P for all > 0.05). The percentage of participants achieving ≥150 min week−1 of bout‐related MVPA was not different at year 3 [6.5% (95% CI: 3.1‐12.7)] vs. presurgery [3.4% (95% CI: 1.8‐5.0); P = 0.45]. Most participants followed SB and PA trajectories that paralleled mean change and were consistent with their presurgery position in relation to the group.

Conclusions

On average, bariatric surgical patients make small reductions in SB and increases in PA during the first postsurgery year, which are maintained through 3 years. Still, postsurgery PA levels fall short of PA guidelines for general health or weight control.
From a Microscope to a Nanoscope
Authors: Kuntze Theresa , Urtecho Rudyard
Published: May 2015

In conventional confocal microscopy, the limit of the resolution is half of the wavelength of light. For blue light, this is 200 nm.This resolution limit was postulated by Ernst Abbe 1873 and for decades it was considered, that this limit could not be overcome. The reason is based on the diffraction, which occurs at two clearly differentiated objects and makes both objects appear blurred together as one. Using the stimulated emission depletion method (STED) developed by Stefan Hell, a higher resolution could be achieved, which was far below the previously mentioned limit. The microscope became a nanoscope long‐standing and alters conceptions about the resolving powers in light microscopy.
Materiality in corporate sustainability reporting within UK retailing
Authors: Jones Peter , Comfort Daphne , Hillier David
Published: May 2015

The concept of materiality is attracting increasing attention in corporate sustainability reporting. This paper offers a preliminary examination of the extent to which the UK's leading retailers are currently addressing materiality in their sustainability reports and offers some wider reflections on the ways retailers are embracing materiality. The paper begins with a short discussion of the concept of materiality and on its determination and the paper draws its empirical material from the most recent sustainability reports posted on the Internet by the UK's top ten retailers. The findings reveal that there are significant variations in the extent to which the UK's leading retailers are embracing materiality and that there is no evidence of a sector specific approach to materiality within the UK retail community. More generally the authors argue that the methods currently being used to determine materiality are flawed and that retailers seem likely to continue to face challenges in looking to reconcile the relationships between executive management teams, investors and a wide range of stakeholders in operationalising the concept of materiality. The paper provides an accessible review of the extent to which the UK's leading retailers are currently embracing materiality as part of the sustainability reporting process and as such it will interest academics, students and practitioners interested in retailing and corporate sustainability. Copyright © 2015 John Wiley & Sons, Ltd.
Effect of polycarbonate structure and reduction time on graphene oxide dispersion
Authors: Lee Bom Yi , Park Ju Young , Kim Youn Cheol
Published: May 2015

Polycarbonate (PC)/graphene oxide (GO) composites with different GO reduction time and PC types were prepared by using a twin screw extruder at 260 °C after solution mixing with chloroform. The chemical reaction degree of PC/GO composites with GO reduction time was confirmed by C–H stretching peak at 3000 cm −1, and the chemical reaction degree decreased with GO reduction time. The slope for storage (G′) versus loss (G″) modulus plot decreases with an increase in heterogeneous property of the polymer melts. So we can check the GO dispersion of the PC/GO composites using by the slop for G′–G″ plot. According to the G′–G″ slopes for PC/GO composite with GO reduction time, GO was well dispersed within PC matrix when the reduction time decreased. It was re‐confirmed by atomic force microscope (AFM) results. Based on the degradation temperature by Thermogravimetric analysis, G′–G″ slopes, and surface roughness by AFM, the branched PC was better than linear PC for the GO dispersion within PC matrix. The fact was also confirmed by tensile test results that the Young's modulus increased with the improvement of GO dispersion. Copyright © 2015 John Wiley & Sons, Ltd.
Molecular dynamics simulation of triclinic lysozyme in a crystal lattice
Authors: Janowski Pawel A. , Liu Chunmei , Deckman Jason , Case David A.
Published: May 2015

Molecular dynamics simulations of crystals can enlighten interpretation of experimental X‐ray crystallography data and elucidate structural dynamics and heterogeneity in biomolecular crystals. Furthermore, because of the direct comparison against experimental data, they can inform assessment of molecular dynamics methods and force fields. We present microsecond scale results for triclinic hen egg‐white lysozyme in a supercell consisting of 12 independent unit cells using four contemporary force fields (Amber ff99SB, ff14ipq, ff14SB, and CHARMM 36) in crystalline and solvated states (for ff14SB only). We find the crystal simulations consistent across multiple runs of the same force field and robust to various solvent equilibration schemes. However, convergence is slow compared with solvent simulations. All the tested force fields reproduce experimental structural and dynamic properties well, but Amber ff14SB maintains structure and reproduces fluctuations closest to the experimental model: its average backbone structure differs from the deposited structure by 0.37Å; by contrast, the average backbone structure in solution differs from the deposited by 0.65Å. All the simulations are affected by a small progressive deterioration of the crystal lattice, presumably due to imperfect modeling of hydrogen bonding and other crystal contact interactions; this artifact is smallest in ff14SB, with average lattice positions deviating by 0.20Å from ideal. Side‐chain disorder is surprisingly low with fewer than 30% of the nonglycine or alanine residues exhibiting significantly populated alternate rotamers. Our results provide helpful insight into the methodology of biomolecular crystal simulations and indicate directions for future work to obtain more accurate energy models for molecular dynamics.
Fabrication of biocompatible lab‐on‐chip devices for biomedical applications by means of a 3D‐printing process
Authors: Takenaga S. , Schneider B. , Erbay E. , Biselli M. , Schnitzler Th. , Schöning M. J. , Wagner T.
Published: May 2015

A new microfluidic assembly method for semiconductor‐based biosensors using 3D‐printing technologies was proposed for a rapid and cost‐efficient design of new sensor systems. The microfluidic unit is designed and printed by a 3D‐printer in just a few hours and assembled on a light‐addressable potentiometric sensor (LAPS) chip using a photo resin. The cell growth curves obtained from culturing cells within microfluidics‐based LAPS systems were compared with cell growth curves in cell culture flasks to examine biocompatibility of the 3D‐printed chips. Furthermore, an optimal cell culturing within microfluidics‐based LAPS chips was achieved by adjusting the fetal calf serum concentrations of the cell culture medium, an important factor for the cell proliferation.
MOCVD growth of Pt films using a novel Pt(IV) compound as a precursor
Authors: Dorovskikh Svetlana I. , Zharkova Galina I. , Zelenina Ludmila N. , Asanov Igor P. , Kal'nii Danila B. , Kokovkin Vasily V. , Shubin Yuri V. , Basova Tamara V. , Morozova Natalia B.
Published: May 2015

The Me3Pt(acac)Py compound, trimethyl(pentane‐2,4‐dionato)platinum(IV)pyridine, is synthesized and, for the first time, characterized by physico‐chemical methods to determine its chemical composition (elemental analysis, IR‐spectroscopy) and thermal behavior (thermogravimetric (TG), differential thermal analyses (DTA), differential scanning calorimetry (DSC), tensometric flow method). Due to its good volatility ln(p/p°) = 16.47–9699/T(K) at moderate temperatures (393–414 K) the compound is offered as a promising precursor for growth of Pt films by metal‐organic chemical vapour deposition (MOCVD). The Pt films deposited on various substrates including Si(100), Ta, Ti substrates, cathodes and anodes of the electrodes for pacemakers are investigated by X‐ray diffraction (XRD), scanning electron microscopy (SEM) and X‐ray photoelectron spectroscopy (XPS). The electrochemical characteristics of Pt films are also determined. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Tandem mass spectrometry of isomeric aniline‐labeled N‐glycans separated on porous graphitic carbon: Revealing the attachment position of terminal sialic acids and structures of neutral glycans
Authors: Michael Claudia , Rizzi Andreas M.
Published: May 2015

Rationale

Quantitative monitoring of changes in the N‐glycome upon disease has gained significance in the context of biomarker discovery. Separation and quantification of isobaric glycan isomers can be attained by using high‐performance liquid chromatography/electrospray ionization mass spectrometry (HPLC/ESI‐MS). Collision‐induced dissociation (CID)‐based fragmentation of separated isobaric glycans is evaluated in respect to its potential of providing fragment ions specific for the linkage positions of terminal sialic acids and the presence of intersecting GlcNAc moieties, respectively.

Methods

N‐Glycans were labeled via reductive amination using 12C6‐aniline and 13C6‐aniline as isotope‐coded labeling reagents. The differently labeled glycans were merged and separated into various species using a porous graphitic carbon (PGC) stationary phase. Identification of structural features of separated isobaric isomers was performed by CID‐based tandem mass spectrometry (MS/MS) carried out in a quadrupole time‐of‐flight (QqTOF) or a quadrupole ion‐trap (IT) mass spectrometer.

Results

Working in the negative ion mode, new diagnostic CID fragment ions could be found that are indicative for the α2,6‐type linkage of sialic acids. Other diagnostic ions, identified before as being indicative for the substitution of the 6‐antenna, could be confirmed as being of relevance also in the case of aniline labeling. In the positive ion mode, CID fragment ions indicative for the structure of short neutral N‐glycans were identified.

Conclusions

One new diagnostic ion specific for the linkage position of the terminal sialic acids and one for the presence of bisecting GlcNAc in N‐glycans were identified. The aniline label introduced for improved relative quantitation in MS1 was found not to significantly alter the CID fragmentation patterns that were reported previously by other authors for unlabeled/reduced glycans or for glycans with more polar labels. Copyright © 2015 John Wiley & Sons, Ltd.
Effect of the Cold Rolling Reduction on the Microstructural Characteristics and Mechanical Behavior of a 0.06%C–17%Mn TRIP/TWIP Steel
Authors: Pérez Escobar Diana , Silva Ferreira de Dafé Sara , Verbeken Kim , Brandão Santos Dagoberto
Published: May 2015

High Mn steels, alloyed with Si and Al, present large plasticity when deformed due to the TRIP/TWIP effect. The present work studies the microstructural evolution and its influence on the mechanical behavior of a steel containing 17%Mn and 0.06%C after cold rolling to 45 and 90% reduction and subsequent annealing at 700 °C for different times. The microstructural analysis is performed by X‐ray diffraction (XRD), scanning electron microscopy (SEM)‐electron backscatter diffraction (EBSD), and transmission electron microscopy (TEM). It is observed that cold reduction induces the formation of ϵ‐ and α′‐martensite. The material exhibits yield and tensile strength around 700 and 950 MPa, respectively, with a total elongation around 43% and a work hardening exponent of around 0.30 after 45% cold rolling and subsequent annealing and a yield and tensile strength of 750 and 950 MPa, respectively, with a total elongation of almost 50% when 90% cold rolling and subsequent annealing. The austenite texture contains brass, copper, and Goss components, while the α′‐ and ϵ‐martensite textures mainly consist of rotated cube and prismatic and pyramidal fibers, respectively.
Family learning outdoors: Guided participation on a nature walk
Authors: Zimmerman Heather Toomey , McClain Lucy R.
Published: May 2015

This informal learning research project examined how guided participation processes support the use of cultural tools (such as scientific equipment) during a nature walk at one nature center. This paper analyzed family interactions outdoors using microethnographic methods. An informal learning framework based on guided participation and cultural tools allowed for an in‐depth investigation of social facilitation used by a working class family: a grandmother, a mother, and two young sons. We identified three findings related to guided participation strategies that facilitated the use of cultural tools for this family, which are discussed in detail: (1) one guided participation process that emerged was the facilitating physical movements related to cultural tool use; (2) a second guided participation process that emerged was balancing the access to cultural tools to reflect family goals for both social harmony and supporting science interests; and (3) trail‐based designed learning settings where outdoor explorations occur are important, but understudied, sites of learning for rural families. Implications of the study included the analytical importance of the constructs of cultural tools, guided participation, and embodied science knowledge for advancing research on family learning related to biology and environmental sciences. The research also suggested an expanded view of what counts as an informal science learning institution by including nature trails and related outdoor spaces alongside museums, science centers, and zoos in order to represent the everyday learning activities of rural families. © 2015 Wiley Periodicals, Inc. J Res Sci Teach 53: 919–942, 2016
The Correlation Between RhoA Expression and Clinicopathological Characteristics in Gastric Cancer Patients After Curative Surgery
Authors: Huang Kuo‐Hung , Lan Yuan‐Tzu , Chen Ming‐Huang , Chao Yee , Lo Su‐Shun , Li Anna Fen‐Yau , Wu Chew‐Wun , Chiou Shih‐Hwa , Yang Muh‐Hwa , Shyr Yi‐Ming , Fang Wen‐Liang
Published: May 2015

Background

The expression of RhoA, a member of the ras homologue family, is reported to be involved in tumorigenesis in some cancers; however, its prognostic value in gastric cancer is controversial.

Methods

Between April 1988 and January 2005, a total of 206 gastric cancer patients receiving curative surgery were enrolled in this study. Immunohistochemical staining of the RhoA protein was performed, and the clinicopathological characteristics and initial recurrence patterns were compared between low RhoA expression (n = 55) and high RhoA expression (n = 151) gastric cancer patients.

Results

For intestinal‐type (n = 134) gastric cancer, there is no significant difference between the clinicopathological characteristics and RhoA expression. However, for diffuse‐type (n = 82) gastric cancer, high RhoA expression was associated with more advanced pathological N category compared to low RhoA expression. A multivariate analysis revealed that age, pathological T and N categories, and RhoA expression were independent prognostic factors for overall survival after curative surgery. For all patients, the five‐year overall survival rates and disease‐free survival rates were higher in patients with low RhoA expression compared to those with high RhoA expression, which was observed in diffuse‐type gastric cancer, not in intestinal‐type gastric cancer. With regard to the initial recurrence pattern, patients with high RhoA expression had more distant metastasis compared to those with low RhoA expression, especially more liver metastasis.

Conclusions

RhoA expression is an independent prognostic factor for gastric cancer, especially for diffuse‐type. We should be aware of liver metastasis during the follow‐up of gastric cancer with high RhoA expression.
Raising the Alarm: A Cross‐Sectional Study Exploring the Factors Affecting Patients’ Willingness to Escalate Care on Surgical Wards
Authors: Johnston Maximilian J. , Davis Rachel E. , Arora Sonal , King Dominic , Reissis Yannis , Darzi Ara
Published: May 2015

Background

Delays in escalation of care for patients may contribute to poor outcome. The factors that influence surgical patients’ willingness to call for help on wards are currently unknown. This study explored the factors that affect patients’ willingness to call for help on surgical wards; how patients call for help and to whom; how to encourage patients to call for help, and the barriers to patients calling for help.

Methods

A cross‐sectional study was conducted in three London hospitals using a questionnaire designed through expert opinion and the published literature. A total of 155 surgical patients (83 % response rate) participated.

Results

Patients were more willing to call for help using the bedside buzzer or by calling a nurse compared to a doctor (p < 0.001). The prompts to calling for help patients were most likely to act on were bleeding and pain. Patients were more willing to call for help if encouraged by a healthcare professional than a relative or fellow patient (p < 0.01). Patients were more likely to worry about taking up too much time when calling for help than being perceived as difficult (p < 0.001). For some prompts, male patients were more willing to call for help (p < 0.05).

Conclusions

This is the first study to identify factors affecting patients’ willingness to call for help on surgical wards. Interventions that take these factors into account can be developed to encourage patients to call for help and may avoid delays in treatment.
Complexation of Surfactant/β‐Cyclodextrin to Inhibit Surfactant Adsorption onto Sand, Kaolin, and Shale for Applications in Enhanced Oil Recovery Processes. Part I: Static Adsorption Analysis
Authors: Kittisrisawai Sirinthip , Romero‐Zerón Laura Beatriz
Published: May 2015

Surfactant adsorption onto solid surfaces is a major issue during surfactant flooding in enhanced oil recovery applications; it decreases the effectiveness of the chemical injection making the process uneconomical. Therefore, it was hypothesized that the adsorption of surfactant onto solid surfaces could be inhibited using a surfactant delivery system based on the complexation between the hydrophobic tail of anionic surfactants and β‐cyclodextrin (β‐CD). Proton nuclear magnetic resonance spectroscopy was used to confirm the complexation of sodium dodecyl sulfate (SDS)/β‐CD. Surface tension analysis was used to establish the stoichiometry of the complexation and the binding constant (Ka). Static adsorption testing was applied to determine the adsorption of surfactant onto different solids (sandstone, shale, and kaolinite). The release of the surfactant from the β‐CD cavity was qualitatively evaluated through bottle testing. The formation of the inclusion complex SDS/β‐CD with a 1:1 stoichiometry was confirmed. The Ka of the complexations increases as salinity and hardness concentration increases. The encapsulation of the surfactant into the β‐CD cavity decreases the adsorption of surfactant onto solid surfaces up to 79 %. Qualitative observations indicate that in the presence of solid adsorbents partially saturated with crude oil, the β‐CD cavity releases surfactant molecules, which migrate towards the oil–water interface.
Glyceroglycolipids Affect Uptake of Carotenoids Solubilized in Mixed Micelles by Human Intestinal Caco‐2 Cells
Authors: Kotake‐Nara Eiichi , Yonekura Lina , Nagao Akihiko
Published: May 2015

We previously reported that phospholipids markedly affected the uptake of carotenoids solubilized in mixed micelles by human intestinal Caco‐2 cells. In the present study, we found that two classes of dietary glyceroglycolipids and the corresponding lysoglyceroglycolipids affected uptake of β‐carotene and lutein by differentiated Caco‐2 cells. The levels of carotenoid uptake from micelles containing digalactosyldiacylglycerol or sulfoquinovosyldiacylglycerol were significantly lower than that from control micelles. On the other hand, the uptakes from micelles containing digalactosylmonoacylglycerol or sulfoquinovosylmonoacylglycerol were significantly higher than that from control micelles. In dispersed cells and Caco‐2 cells with poor cell‐to‐cell adhesion, however, the levels of uptake from micelles containing these lyso‐lipids were much lower than that from control micelles. The uptake levels from control micelles were markedly decreased depending on the development of cell‐to‐cell/cell–matrix adhesion in Caco‐2 cells, but the uptake levels from the micelles containing these lyso‐lipids were not substantially changed, suggesting that the intercellular barrier formed by cell‐to‐cell/cell–matrix adhesion inhibited the uptake from control micelles, but not from the lyso‐lipid‐containing micelles. The lyso‐lipids appeared to enhance carotenoid uptake by decreasing the intercellular barrier integrity. The results showed that some types of glyceroglycolipids have the potential to modify the intestinal uptake of carotenoids.
Piezo1 ion channel pore properties are dictated by C-terminal region
Authors: Coste Bertrand , Murthy Swetha E. , Mathur Jayanti , Schmidt Manuela , Mechioukhi Yasmine , Delmas Patrick , Patapoutian Ardem
Published: May 2015

Piezo1 and Piezo2 encode mechanically activated cation channels that function as mechanotransducers involved in vascular system development and touch sensing, respectively. Structural features of Piezos remain unknown. Mouse Piezo1 is bioinformatically predicted to have 30–40 transmembrane (TM) domains. Here, we find that nine of the putative inter-transmembrane regions are accessible from the extracellular side. We use chimeras between mPiezo1 and dPiezo to show that ion-permeation properties are conferred by C-terminal region. We further identify a glutamate residue within a conserved region adjacent to the last two putative TM domains of the protein, that when mutated, affects unitary conductance and ion selectivity, and modulates pore block. We propose that this amino acid is either in the pore or closely associates with the pore. Our results describe important structural motifs of this channel family and lay the groundwork for a mechanistic understanding of how Piezos are mechanically gated and conduct ions.
An archive of longitudinal recordings of the vocalizations of adult Gombe chimpanzees
Authors: Plooij Frans X. , van de Rijt-Plooij Hetty , Fischer Martha , Wilson Michael L. , Pusey Anne
Published: May 2015

Studies of chimpanzee vocal communication provide valuable insights into the evolution of communication in complex societies, and also comparative data for understanding the evolution of human language. One particularly valuable dataset of recordings from free-living chimpanzees was collected by Frans X. Plooij and the late Hetty van de Rijt-Plooij at Gombe National Park, Tanzania (1971–73). These audio specimens, which have not yet been analysed, total over 10 h on 28 tapes, including 7 tapes focusing on adult individuals with a total of 605 recordings. In 2014 the first part of that collection of audio specimens covering the vocalizations of the immature Gombe chimpanzees was made available. The data package described here covers the vocalizations of the adult chimpanzees. We expect these recordings will prove useful for studies on topics including referential signalling and the emergence of dialects. The digitized sound recordings were stored in the Macaulay Library and the Dryad Repository. In addition, the original notes on the contexts of the calls were translated and transcribed from Dutch into English.
A novel highly differentially expressed gene in wheat endosperm associated with bread quality
Authors: Furtado A. , Bundock P. C. , Banks P. M. , Fox G. , Yin X. , Henry R. J.
Published: May 2015

Analysis of gene expression in developing wheat seeds was used to identify a gene, wheat bread making (wbm), with highly differential expression (~1000 fold) in the starchy endosperm of genotypes varying in bread making quality. Several alleles differing in the 5’-upstream region (promoter) of this gene were identified, with one present only in genotypes with high levels of wbm expression. RNA-Seq analysis revealed low or no wbm expression in most genotypes but high expression (0.2-0.4% of total gene expression) in genotypes that had good bread loaf volume. The wbm gene is predicted to encode a mature protein of 48 amino acids (including four cysteine residues) not previously identified in association with wheat quality, possibly because of its small size and low frequency in the wheat gene pool. Genotypes with high wbm expression all had good bread making quality but not always good physical dough qualities. The predicted protein was sulphur rich suggesting the possibility of a contribution to bread loaf volume by supporting the crossing linking of proteins in gluten. Improved understanding of the molecular basis of differences in bread making quality may allow more rapid development of high performing genotypes with acceptable end-use properties and facilitate increased wheat production.
Reactivity of carbon dioxide in hydrofluoroethers: a facile access to cyclic carbonates
Authors: Mamone Marius , Milcent Thierry , Crousse Benoit
Published: May 2015

The reactivity of CO2 dissolved in high quantities in hydrofluoroethers was enhanced and allowed the formation of cyclic carbonates from epoxides with excellent selectivities.
(Fe,Co)@nitrogen-doped graphitic carbon nanocubes derived from polydopamine-encapsulated metal–organic frameworks as a highly stable and selective non-precious oxygen reduction electrocatalyst
Authors: Xi Jiangbo , Xia Yating , Xu Yangyang , Xiao Junwu , Wang Shuai
Published: May 2015

A facile approach is reported to synthesize (Fe,Co)@nitrogen-doped graphitic carbon (NGC) nanocubes (NCs) via the pyrolysis of polydopamine-encapsulated Fe3[Co(CN)6]2 NCs at 700 °C.
A spiropyran-based X-ray sensitive fiber
Authors: Kinashi Kenji , Miyamae Yurika , Nakamura Ryotaro , Sakai Wataru , Tsutsumi Naoto , Yamane Hideki , Hatsukano Gaku , Ozaki Makoto , Jimbo Kazuya , Okabe Takahiro
Published: May 2015

A poly-(l-lactic acid) (PLLA) composite fiber containing photostimulable phosphor (PSP) BaFCl:Eu2+ particles and a photochromic spiropyran dye (1,3,3-trimethylindolino-6′-nitrobenzopyrylospiran) (6-nitro BIPS) is undertaken to visualize reversible X-rays.
Exploring the glass transition region: crowding effect, nonergodicity and thermorheological complexity
Authors: Das Ashok K.
Published: May 2015

Thermorheological complexity in polystyrene near the glass transition point has been created through Monte Carlo simulations.
Structural organization of surfactant aggregates in vacuo: a molecular dynamics and well-tempered metadynamics study
Authors: Longhi Giovanna , Fornili Sandro L. , Turco Liveri Vincenzo
Published: May 2015

MD and well tempered metadynamics indicate that the structural organization of large surfactant aggregates in the gas phase and in the condensed apolar phase are different.
Surface- and tip-enhanced Raman scattering of bradykinin onto the colloidal suspended Ag surface
Authors: Swiech D. , Ozaki Y. , Kim Y. , Proniewicz E.
Published: May 2015

In this paper, SERS and TERS techniques were used to determine the adsorption mode of bradykinin (BK) onto colloidal suspended Ag surfaces under various environmental conditions, including: peptide concentrations (10−5–10−7M), excitation wavelengths (514.5 and 785.0 nm), and pH of solutions (pH = 3–11).
Tailoring and visualizing the pore architecture of hierarchical zeolites
Authors: Wei Ying , Parmentier Tanja E. , de Jong Krijn P. , Zečević Jovana
Published: May 2015

This review provides an overview of the different synthesis methods and microscopy techniques for tailoring and visualizing the pore architecture of hierarchical zeolites.
Composition–solubility–structure relationships in calcium (alkali) aluminosilicate hydrate (C-(N,K-)A-S-H)
Authors: Myers Rupert J. , L'Hôpital Emilie , Provis John L. , Lothenbach Barbara
Published: May 2015

Solubility–structure–composition relationships in calcium (alkali) aluminosilicate hydrate (C-(N,K-)A-S-H) are analysed, including the mean chain length, basal spacing and cross-linking.
Instability of metal 1,3-benzodi(thiophosphinoyl)methandiide complexes: formation of hafnium, tin and zirconium complexes of 1,3-benzodi(thiophosphinoyl)thioketone dianionic ligand [1,3-C6H4(PhPS)2CS]2−
Authors: Yang Ya-Xiu , Li Yongxin , Ganguly Rakesh , So Cheuk-Wai
Published: May 2015

The reaction illustrates that the metal centre and ligand substituents are crucial for the stabilization of a CmethandiideHf bond.
Excellent visible-light-driven photocatalytic performance of Cu2O sensitized NaNbO3heterostructures
Authors: Fan Mingshan , Hu Bo , Yan Xu , Song Chengjie , Chen Tianjun , Feng Yi , Shi Weidong
Published: May 2015

Heterostructure complexes of Cu2O/NaNbO3exhibited high catalytic activities on the degradation of methyl orange.
Catalyst-free direct decarboxylative coupling of α-keto acids with thiols: a facile access to thioesters
Authors: Yan Kelu , Yang Daoshan , Wei Wei , Zhao Jing , Shuai Yuanyuan , Tian Laijin , Wang Hua
Published: May 2015

A catalyst-free protocol has been demonstrated for the synthesis of thioesters via the direct decarboxylation of α-keto acids with thiols.
Synthesis of 8-aza-3,7-dideaza-2′-deoxyadenosines possessing a new adenosine skeleton as an environmentally sensitive fluorescent nucleoside for monitoring the DNA minor groove
Authors: Suzuki Azusa , Saito Mio , Katoh Ryuzi , Saito Yoshio
Published: May 2015

Fluorescent ODN probes containing3n7zA(2) acted as effective reporter probes for homogeneous single nucleotide polymorphism (SNP) typing.
Well-defined polymethylene-based block co/terpolymers by combining anthracene/maleimide diels–alder reaction with polyhomologation
Authors: Alkayal Nazeeha , Hadjichristidis Nikos
Published: May 2015

Well-defined co/terpolymers of polymethylene (PM) with poly(d,l-lactide) (PLA), polycaprolactone (PCL) and polyethylene glycol (PEG) were synthesized by combining polyhomologation, anionic ring opening polymerization and anthracene(Ant)/maleimide(MI) Diels–Alder reaction.
Pure methane, carbon dioxide, and nitrogen adsorption on anthracite from China over a wide range of pressures and temperatures: experiments and modeling
Authors: Zhang Yi , Xing Wanli , Liu Shuyang , Liu Yu , Yang Mingjun , Zhao Jiafei , Song Yongchen
Published: May 2015

The adsorption isotherms and kinetics characteristics were investigated at 294 K, 311 K, 333 K, and 353 K with pressures up to 18 MPa for CH4 and N2 and 5.5 MPa for CO2 on anthracite from China using a volumetric method.
MWCNT–CTAB modified glassy carbon electrode as a sensor for the determination of paracetamol
Authors: Gowda Jayant I. , Gunjiganvi Danavva G. , Sunagar Nagaveni B. , Bhat Manjushree N. , Nandibewoor Sharanappa T.
Published: May 2015

An electrochemical sensor for the sensitive detection of paracetamol (PCM) was developed by constructing a glassy carbon electrode (GCE) modified with multiwalled carbon nanotube–cetyltrimethyl ammonium bromide (MWCNT–CTAB).
A novel electrochemical nicotine sensor based on cerium nanoparticles with anionic surfactant
Authors: Fekry A. M. , Azab S. M. , Shehata M. , Ameer M. A.
Published: May 2015

A novel promising electrochemical nicotine (NIC) sensor was prepared by electrodeposition of Ce-Nanoparticles on a carbon paste electrode (CPE).
Controllable synthesis of porous iron–nitrogen–carbon nanofibers with enhanced oxygen reduction electrocatalysis in acidic medium
Authors: Yan X. X. , Gan L. , Fang F. , Liu K. X. , Luo J. , Zhu J.
Published: May 2015

Porous Fe–N–C nanofibers were synthesized as non-precious metal electrocatalysts with a 20 times enhancement in oxygen reduction performance.
Au decorated Fe3O4@TiO2 magnetic composites with visible light-assisted enhanced catalytic reduction of 4-nitrophenol
Authors: Zhou Ying , Zhu Yihua , Yang Xiaoling , Huang Jianfei , Chen Wei , Lv Xiaoming , Li Cuiyan , Li Chunzhong
Published: May 2015

Multifunctional Fe3O4@TiO2@Au core–shell composites exhibited excellent catalytic activity for the reduction of 4-NP in the presence of NaBH4 under visible light illumination due to the synergy of noble metal-catalysis and photocatalysis.
Two-photon absorption of polyfluorene aggregates stabilized by insulin amyloid fibrils
Authors: Hanczyc P. , Justyniarski A. , Gedefaw D. A. , Andersson M. R. , Samoc M. , Müller C.
Published: May 2015

We report on the photophysical and optical properties of a polyfluorene derivative (PFO) and its binding to the amyloid-forming protein insulin.
Disclination elastica model of loop collision and growth in confined nematic liquid crystals
Authors: Shams Alireza , Yao Xuxia , Park Jung Ok , Srinivasarao Mohan , Rey Alejandro D.
Published: May 2015

Theory and modeling are used to characterize disclination loop–loop interactions in nematic liquid crystals under capillary confinement with strong homeotropic anchoring.
Compartmentalisation of enzymes for cascade reactions through biomimetic layer-by-layer mineralization
Authors: Begum Gousia , Goodwin W. Brandon , deGlee Ben M. , Sandhage Kenneth H. , Kröger Nils
Published: May 2015

A biomineralisation-based method for compartmentalisation of multi-enzyme cascades has been developed, and design parameters governing a cascade's catalytic performance were elucidated.
One-pot synthesis of water-soluble, β-cyclodextrin-based polyrotaxanes in a homogeneous water system and its use in bio-applications
Authors: Yu Shuling , Yuan Jintao , Shi Jiahua , Ruan Xiaojiao , Wang Yali , Gao Shufang , Du Yu
Published: May 2015

The water-soluble and biocompatible PR, synthesized in a homogeneous system, can largely accumulate in tumors for a long time.
Nanoporous structured carbon nanofiber–bioactive glass composites for skeletal tissue regeneration
Authors: Zhang Cuihua , Cheng Dan , Tang Tianhong , Jia Xiaolong , Cai Qing , Yang Xiaoping
Published: May 2015

Bioactive glass (BG) decorated nanoporous composite carbon nanofibers (PCNF–BG) were prepared for the purpose of obtaining effective substrates for skeletal tissue regeneration.
Transparent nanocellulose hybrid films functionalized with ZnO nanostructures for UV-blocking
Authors: Jiang Yaoquan , Song Yuanyuan , Miao Miao , Cao Shaomei , Feng Xin , Fang Jianhui , Shi Liyi
Published: May 2015

Transparent nanocellulose films functionalized with sheet-like ZnO nanostructures presented excellent UV-blocking performance in a wide range from 200 to 375 nm.
Mg/W-codoped vanadium dioxide thin films with enhanced visible transmittance and low phase transition temperature
Authors: Wang Ning , Liu Shiyu , Zeng X. T. , Magdassi Shlomo , Long Yi
Published: May 2015

Mg2+ and W6+ cations were first codoped into the VO2 lattice, resulting in a widened photon band gap and h+/e− charge carrier accumulation. These effects enhanced the thermochromic performance with a high visible transmission (∼80%) and a low phase transition temperature (∼30 °C).
E3 SUMO ligase AtSIZ1 positively regulates SLY1-mediated GA signalling and plant development
Authors: Kim Sung-Il , Park Bong Soo , Kim Do Youn , Yeu Song Yion , Song Sang Ik , Song Jong Tae , Seo Hak Soo
Published: May 2015

Gibberellins affect various plant development processes including germination, cell division and elongation, and flowering. A large number of studies have been carried out to address the molecular mechanisms that mediate gibberellin signalling effects on plant growth. However, such studies have been limited to DELLA protein degradation; the regulatory mechanisms controlling how the stability and function of SLEEPY1 (SLY1), a protein that interacts with target DELLA proteins as components of the Skp, Cullin, F-box (SCF)SLY1 complex, are modulated at the post-translational level have not been addressed. In the present study, we show that the E3 SUMO (small ubiquitin-related modifier) ligase AtSIZ1 regulates gibberellic acid signalling in Arabidopsis species by sumoylating SLY1. SLY1 was less abundant in siz1–2 mutants than in wild-type plants, but the DELLA protein repressor of ga1–3 (RGA) was more abundant in siz1–2 mutants than in wild-type plants. SLY1 also accumulated to a high level in the SUMO protease mutant esd4. Transgenic sly1–13 mutants over-expressing SLY1 were phenotypically similar to wild-type plants; however, sly1–13 plants over-expressing a mutated mSLY1 protein (K122R, a mutation at the sumoylation site) retained the mutant dwarfing phenotype. Over-expression of SLY1 in sly1–13 mutants resulted in a return of RGA levels to wild-type levels, but RGA accumulated to high levels in mutants over-expressing mSLY1. RGA was clearly detected in Arabidopsis co-expressing AtSIZ1 and mSLY1, but not in plants co-expressing AtSIZ1 and SLY1. In addition, sumoylated SLY1 interacted with RGA and SLY1 sumoylation was significantly increased by GA. Taken together, our results indicate that, in Arabidopsis, AtSIZ1 positively controls GA signalling through SLY1 sumoylation.
Vitamin D: a custodian of cell signalling stability in health and disease
Authors: Berridge Michael J.
Published: May 2015

There is increasing evidence that a deficiency in vitamin D contributes to many human diseases such as Alzheimer's disease (AD), Parkinson's disease (PD), multiple sclerosis (MS), hypertension and cardiovascular disease. The ability of vitamin D to maintain healthy cells seems to depend on its role as a guardian of phenotypic stability particularly with regard to the reactive oxygen species (ROS) and Ca2+ signalling systems. Vitamin D maintains the expression of those signalling components responsible for stabilizing the low-resting state of these two signalling pathways. This vitamin D signalling stability hypothesis proposes that vitamin D, working in conjunction with klotho and Nrf2 (nuclear factor-erythroid-2-related factor 2), acts as a custodian to maintain the normal function of the ROS and Ca2+ signalling pathways. A decline in vitamin D levels will lead to an erosion of this signalling stability and may account for why so many of the major diseases in man, which have been linked to vitamin D deficiency, are associated with a dysregulation in both ROS and Ca2+ signalling.
Designer small molecules to target calcium signalling
Authors: Swarbrick Joanna M. , Riley Andrew M. , Mills Stephen J. , Potter Barry V.L.
Published: May 2015

Synthetic compounds open up new avenues to interrogate and manipulate intracellular Ca2+ signalling pathways. They may ultimately lead to drug-like analogues to intervene in disease. Recent advances in chemical biology tools available to probe Ca2+ signalling are described, with a particular focus on those synthetic analogues from our group that have enhanced biological understanding or represent a step towards more drug-like molecules. Adenophostin (AdA) is the most potent known agonist at the inositol 1,4,5-trisphosphate receptor (IP3R) and synthetic analogues provide a binding model for receptor activation and channel opening. 2-O-Modified inositol 1,4,5-trisphosphate (IP3) derivatives that are partial agonists at the IP3R reveal key conformational changes of the receptor upon ligand binding. Biphenyl polyphosphates illustrate that simple non-inositol surrogates can be engineered to give prototype IP3R agonists or antagonists and act as templates for protein co-crystallization. Cyclic adenosine 5′-diphosphoribose (cADPR) can be selectively modified using total synthesis, generating chemically and biologically stable tools to investigate Ca2+ release via the ryanodine receptor (RyR) and to interfere with cADPR synthesis and degradation. The first neutral analogues with a synthetic pyrophosphate bioisostere surprisingly retain the ability to release Ca2+, suggesting a new route to membrane-permeant tools. Adenosine 5′-diphosphoribose (ADPR) activates the Ca2+-, Na+- and K+-permeable transient receptor potential melastatin 2 (TRPM2) cation channel. Synthetic ADPR analogues provide the first structure-activity relationship (SAR) for this emerging messenger and the first functional antagonists. An analogue based on the nicotinic acid motif of nicotinic acid adenine dinucleotide phosphate (NAADP) antagonizes NAADP-mediated Ca2+ release in vitro and is effective in vivo against induced heart arrhythmia and autoimmune disease, illustrating the therapeutic potential of targeted small molecules.
The ryanodine receptor provides high throughput Ca2+-release but is precisely regulated by networks of associated proteins: a focus on proteins relevant to phosphorylation
Authors: O'Brien Fiona , Venturi Elisa , Sitsapesan Rebecca
Published: May 2015

Once opened, ryanodine receptors (RyR) are efficient pathways for the release of Ca2+ from the endoplasmic/sarcoplasmic reticulum (ER/SR). The precise nature of the Ca2+-release event, however, requires fine-tuning for the specific process and type of cell involved. For example, the spatial organization of RyRs, the luminal [Ca2+] and the influence of soluble regulators that fluctuate under physiological and pathophysiological control mechanisms, all affect the amplitude and duration of RyR Ca2+ fluxes. Various proteins are docked tightly to the huge bulky structure of RyR and there is growing evidence that, together, they provide a sophisticated and integrated system for regulating RyR channel gating. This review focuses on those proteins that are relevant to phosphorylation of RyR channels with particular reference to the cardiac isoform of RyR (RyR2). How phosphorylation of RyR affects channel activity and whether proteins such as the FK-506 binding proteins (FKBP12 and FKBP12.6) are involved, have been highly controversial subjects for more than a decade. But that is expected given the large number of participating proteins, the relevance of phosphorylation in heart failure and inherited arrhythmic diseases, and the frustrations of predicting relationships between structure and function before the advent of a high resolution structure of RyR.
Regulation of TRPML1 function
Authors: Waller-Evans Helen , Lloyd-Evans Emyr
Published: May 2015

TRPML1 is a ubiquitously expressed cation channel found on lysosomes and late endosomes. Mutations in TRPML1 cause mucolipidosis type IV and it has been implicated in Alzheimer's disease and HIV. However, the mechanisms by which TRPML1 activity is regulated are not well understood. This review summarizes the current understanding of TRPML1 activation and regulation.
Selective mRNA translation in erythropoiesis
Authors: Thiadens Klaske A.M.H. , von Lindern Marieke
Published: May 2015

The daily production of up to 1011 erythrocytes is tightly controlled to maintain the number of erythrocytes in peripheral blood between narrow boundaries. Availability of growth factors and nutrients, particularly iron, control the proliferation and survival of precursor cells partly through control of mRNA translation. General translation initiation mechanisms can selectively control translation of transcripts that carry specific structures in the UTRs. This selective mRNA translation is an important layer of gene expression regulation in erythropoiesis. Ribosome profiling is a recently developed high throughput sequencing technique for global mapping of translation initiation sites across the transcriptome. Here we describe what is known about control of mRNA translation in erythropoiesis and how ribosome profiling will help to further our knowledge. Ribosome footprinting will give insight in transcript-specific translation at codon resolution, which is of great value to understand many cellular processes during erythropoiesis. It will be of particular interest to understand responses to iron availability and reactive oxygen species (ROS), which affects translation initiation of transcripts harbouring upstream ORFs (uORF) and potential alternative downstream ORFs (aORF).
CO2 carbamylation of proteins as a mechanism in physiology
Authors: Meigh Louise
Published: May 2015

Carbamate bonds occur following the nucleophilic attack of CO2 on to an amine. In proteins, this can occur at lysine side chains or at the N-terminus. For CO2 binding to occur an amine must be present in the NH2 form and consequently carbamates represent a site-specific post-translational modification, occurring only in environments of reduced hydration. Due to the specific nature of these interactions, coupled with the inability of these bonds to survive protein preparation methods, carbamate reactions appear rare. However, more biologically important examples continue to emerge that use carbamates as key parts of their mechanisms. In this review, we discuss specific examples of carbamate bond formation and their biological consequences with an aim to highlight this important, and often forgotten, biochemical group.
Connexin-mediated regulation of the pulmonary vasculature
Authors: Dempsie Yvonne , Martin Patricia , Upton Paul D.
Published: May 2015

Pulmonary arterial hypertension (PAH) is a complex, multi-factorial disorder characterized by both constriction and remodelling of the distal pulmonary vasculature. This leads to increased pulmonary pressures and eventually right heart failure. Current drugs, which primarily target the vasoconstriction, serve only to prolong life and novel therapies targeting both the vasoconstriction and the remodelling are required. Aberrant signalling between cells of the pulmonary vasculature has been associated with the development of PAH. In particular, endothelial dysfunction can lead to hyperplasia of the underlying medial layer. Connexins are a family of transmembrane proteins which can form intercellular communication channels known as gap junctions. This review will discuss recent evidence which shows that connexins play a role in regulation of the pulmonary vasculature and that dysregulation of connexins may contribute to PAH pathogenesis. Interaction of connexins with signalling pathways relevant to the pathogenesis of PAH, such as bone morphogenetic protein (BMP), serotonin and oestrogen are discussed.