bluuebunny/crossref_metadata_2025 huggingface dataset:
Determination of the Hansen Solubility Parameters of Vegetable Oils, Biodiesel, Diesel, and Biodiesel–Diesel Blends
Authors: Batista Matheus M. , Guirardello Reginaldo , Krähenbühl Maria A.
Published: December 2014

The search for alternative fuels has been gaining attention in recent decades. The replacement of fossil fuels is driven by environmental, economic, and social factors, since the whole of society is dependent on their usage; and in this context, one alternative that has been highlighted is the use of biodiesel. Biodiesel represents a renewable, biodegradable, non‐inflammable, and low toxicity alternative to diesel. In this study, the Hansen solubility parameters (HSPs) and the interaction radii (R0) were determined for the following materials: used frying oil, coconut oil, palm oil, biodiesel from used frying oil, diesel, and biodiesel–diesel blends (B10 and B20), using 45 solvents and solvent mixtures. The values found for the solubility parameters of the used frying oil and coconut oil were very close to those found for the biodiesel; however, the biofuel showed higher solubility in polar solvents. The values of solubility parameters of diesel, B10, and B20 were similar, increasing values according to the amount (by volume) of biodiesel added to diesel fuel.
Roles and regulation of phospholipid scramblases
Authors: Kodigepalli Karthik M. , Bowers Kiah , Sharp Arielle , Nanjundan Meera
Published: December 2014

Phospholipid scramblase activity is involved in the collapse of phospholipid (PL) asymmetry at the plasma membrane leading to externalization of phosphatidylserine. This activity is crucial for initiation of the blood coagulation cascade and for recognition/elimination of apoptotic cells by macrophages. Efforts to identify gene products associated with this activity led to the characterization of PL scramblase (PLSCR) and XKR family members which contribute to phosphatidylserine exposure in response to apoptotic stimuli. Meanwhile, TMEM16 family members were identified to externalize phosphatidylserine in response to elevated calcium in Scott syndrome platelets, which is critical for activation of the coagulation cascade. Herein, we report their mechanisms of gene regulation, molecular functions independent of their scrambling activity, and their potential roles in pathogenic conditions.
Structure‐based analysis of domain function of chitin oligosaccharide deacetylase from Vibrio parahaemolyticus
Authors: Hirano Takako , Sugiyama Kanako , Sakaki Yuta , Hakamata Wataru , Park Sam-Yong , Nishio Toshiyuki
Published: December 2014

The X‐ray crystal structure of chitin oligosaccharide deacetylase from Vibrio parahaemolyticus (Vp‐COD) was determined at an 1.35 Å resolution. The amino acid sequence and structure of Vp‐COD show that the enzyme comprises one polysaccharide deacetylase domain (PDD) and two carbohydrate‐binding domains (CBDs). On the basis of a chitin‐binding assay with Vp‐COD and its CBDs‐deleted mutant, it was confirmed that CBDs can adhere to chitin. The catalytic activity of the CBDs‐deleted mutant was only mildly depressed compared with that of Vp‐COD, indicating that CBDs are unlikely to affect the configuration of the active center residues in active site of PDD.
Intramolecular complementation of measles virus fusion protein stability confers cell–cell fusion activity at 37 °C
Authors: Satoh Yuto , Hirose Mitsuhiro , Shogaki Hiroko , Wakimoto Hiroshi , Kitagawa Yoshinori , Gotoh Bin , Takahashi Ken-ichi , Itoh Masae
Published: December 2014

The fusion (F) protein of measles virus mediates membrane fusion. In this study, we investigated the molecular basis of the cell–cell fusion activity of the F protein. The N465H substitution in the heptad repeat B domain of the stalk region of the F protein eliminates this activity, but an additional mutation in the DIII domain of the head region – N183D, F217L, P219S, I225T or G240R – restores cell–cell fusion. Thermodynamically stabilized by the N465H substitution, the F protein required elevated temperature as high as 40 °C to promote cell–cell fusion, whereas all five DIII mutations caused destabilization of the F protein allowing the highest fusion activity at 30 °C. Stability complementation between the two domains conferred an efficient cell–cell fusion activity on the F protein at 37 °C.
One‐year follow‐up of women who participated in a physiotherapy and health education program before and after obstetric fistula surgery
Authors: Castille Yves‐Jacques , Avocetien Chiara , Zaongo Dieudonné , Colas Jean‐Marie , Peabody James O. , Rochat Charles‐Henry
Published: December 2014

Objective

To investigate whether the positive impact of a program of physiotherapy and health education on the outcome of obstetric fistula surgery was maintained after 1 year.

Methods

The present follow‐up analysis included 108 women who underwent obstetric fistula surgery at a center in Tanguiéta, Benin, between March 2011 and March 2012, and who had received a structured program of physiotherapy and health education before and after surgery. After discharge, follow‐up visits were made 3, 6, and 12 months after surgery. The Ditrovie scale was used to measure quality of life (QoL), and continence and performance of the physiotherapy exercises were assessed.

Results

Mean QoL score was 36.9 (range 16.0–49.0) before surgery. Overall, 84 women were followed up for 1 year. Their mean QoL score had improved significantly to 18.5 (range 10.0–47.0; P < 0.001). Between hospital discharge and 1 year, the number of women with a closed fistula increased from 48 (57.1%) to 53 (63.1%) and the number with urinary stress incontinence reduced from 11 (13.1%) to 9 (10.7%).

Conclusion

Results obtained after surgery and physiotherapy were maintained at 1 year, and QoL had improved significantly. When women are encouraged to continue exercises, improvements are also seen in residual stress incontinence.
Sensitivity and open-loop control of stochastic response in a noise amplifier flow: the backward-facing step
Authors: Boujo E. , Gallaire F.
Published: December 2014

The two-dimensional backward-facing step flow is a canonical example of noise amplifier flow: global linear stability analysis predicts that it is stable, but perturbations can undergo large amplification in space and time as a result of non-normal effects. This amplification potential is best captured by optimal transient growth analysis, optimal harmonic forcing, or the response to sustained noise. With a view to reducing disturbance amplification in these globally stable open flows, a variational technique is proposed to evaluate the sensitivity of stochastic amplification to steady control. Existing sensitivity methods are extended in two ways to achieve a realistic representation of incoming noise: (i) perturbations are time-stochastic rather than time-harmonic, (ii) perturbations are localised at the inlet rather than distributed in space. This allows the identification of regions where small-amplitude control is the most effective, without actually computing any controlled flows. In particular, passive control by means of a small cylinder and active control by means of wall blowing/suction are analysed for Reynolds number $\mathit{Re}=500$ and step-to-outlet expansion ratio ${\it\Gamma}=0.5$. Sensitivity maps for noise amplification appear largely similar to sensitivity maps for optimal harmonic amplification at the most amplified frequency. This is observed at other values of $\mathit{Re}$ and ${\it\Gamma}$ too, and suggests that the design of steady control in this noise amplifier flow can be simplified by focusing on the most dangerous perturbation at the most dangerous frequency.
Organised large structure in the post-transition mixing layer. Part 2. Large-eddy simulation
Authors: McMullan W. A. , Gao S. , Coats C. M.
Published: December 2014

Three-dimensional large-eddy simulations of two-stream mixing layers developing spatially from laminar boundary layers are presented, replicating wind-tunnel experiments carried out in Part 1 of this study. These simulations have been continued through the mixing transition and into the fully turbulent self-similar flow beyond. In agreement with the experiments, the simulations show that the familiar mechanism of growth by vortex amalgamation is replaced at the mixing transition by a previously unrecognised mechanism in which the spanwise-coherent large structures individually undergo continuous linear growth. In the post-transition flow it is this continuous linear growth of the individual structures that produces the self-similar growth of the mixing-layer thickness, the large-structure interactions occurring as a consequence of the growth, not its cause. New information is also presented on the topography of the organised post-transition flow and on its cyclical evolution through the lifetimes of the individual large structures. The dynamic and kinematic implications of these findings are discussed and shown to define quantitatively the growth rate of the homogeneous post-transition mixing layer in its organised state.
Liquid clustering and capillary pressure in granular media
Authors: Delenne Jean-Yves , Richefeu Vincent , Radjai Farhang
Published: December 2014

By means of extensive lattice Boltzmann simulations, we investigate the process of growth and coalescence of liquid clusters in a granular material as the amount of liquid increases. A homogeneous grain–liquid mixture is obtained by means of capillary condensation, thus providing meaningful statistics on the liquid distribution inside the granular material. The tensile stress carried by the grains as a function of the amount of condensed liquid reveals four distinct states, with a peak stress occurring at the transition from a primary coalescence process, where the cohesive strength is carried mostly by the grains, to a secondary process governed by the increase of the liquid cluster volumes. We show that the evolution of capillary states is correctly captured by a simple model accounting for the competing effects of the Laplace pressure and grain–liquid interface.
A Helmholtz decomposition of structure functions and spectra calculated from aircraft data
Authors: Lindborg Erik
Published: December 2014

Longitudinal and transverse structure functions, $D_{ll}=\langle {\it\delta}u_{l}{\it\delta}u_{l}\rangle$ and $D_{tt}=\langle {\it\delta}u_{t}{\it\delta}u_{t}\rangle$, can be calculated from aircraft data. Here, ${\it\delta}$ denotes the increment between two points separated by a distance $r$, $u_{l}$ and $u_{t}$ the velocity components parallel and perpendicular to the aircraft track respectively and $\langle \,\rangle$ an average. Assuming statistical axisymmetry and making a Helmholtz decomposition of the horizontal velocity, $\boldsymbol{u}=\boldsymbol{u}_{r}+\boldsymbol{u}_{d}$, where $\boldsymbol{u}_{r}$ is the rotational and $\boldsymbol{u}_{d}$ the divergent component of the velocity, we derive expressions relating the structure functions $D_{rr}=\langle {\it\delta}\boldsymbol{u}_{r}\boldsymbol{\cdot }{\it\delta}\boldsymbol{u}_{r}\rangle$ and $D_{dd}=\langle {\it\delta}\boldsymbol{u}_{d}\boldsymbol{\cdot }{\it\delta}\boldsymbol{u}_{d}\rangle$ to $D_{ll}$ and $D_{tt}$. Corresponding expressions are also derived in spectral space. The decomposition is applied to structure functions calculated from aircraft data. In the lower stratosphere, $D_{rr}$ and $D_{dd}$ both show a nice $r^{2/3}$-dependence for $r\in [2,20]\ \text{km}$. In this range, the ratio between rotational and divergent energy is a little larger than unity, excluding gravity waves as the principal agent behind the observations. In the upper troposphere, $D_{rr}$ and $D_{dd}$ show no clean $r^{2/3}$-dependence, although the overall slope of $D_{dd}$ is close to $2/3$ for $r\in [2,400]\ \text{km}$. The ratio between rotational and divergent energy is approximately three for $r<100\ \text{km}$, excluding gravity waves also in this case. We argue that the possible errors in the decomposition at scales of the order of 10 km are marginal.
Television from the Superlab: The Postmodern Serial Drama and the New Petty Bourgeoisie in Breaking Bad
Authors: FRITZ MORGAN
Published: December 2014

This essay considers the television series Breaking Bad in light of Nicos Poulantzas's concept of the new petty bourgeoisie and Bruno Latour's notion of the production of “monsters” in modern society as a result of the compartmentalization of science from society. Breaking Bad, which has received near universal praise from the popular press, established itself as the most recent dominant show in the recent wave of serial dramas. As a show that resembles the experimental vacuum chamber described by Latour, Breaking Bad succeeds in naturalizing its own terms so that they go unquestioned by viewers. My article views the character Walter White not as the everyman antihero presented by the show, but rather as a representative of what Poulantzas has termed the new petty bourgeoisie. A contention made in this essay is that the quarantined nature of such serial dramas allows them to work as vehicles for ideologies that go unexamined by their viewers.
Changes in milk L-lactate, lactate dehydrogenase, serum albumin, and IgG during milk ejection and their association with somatic cell count
Authors: Lehmann Mirjam , Wall Samantha K , Wellnitz Olga , Bruckmaier Rupert M
Published: December 2014

In both conventional and automatic milking systems (AMS), sensitive and reliable mastitis detection is important for profitable milk production. Mastitis detection parameters must be able to detect mastitis when the somatic cell count (SCC) is only slightly elevated. Owing to the pre-milking teat cleaning process in AMS, sampling cannot take place before the occurrence of alveolar milk ejection and importantly, this can affect the ability of parameters to detect mastitis. The aim of the present study was to examine the effect of alveolar milk ejection on l-lactate, lactate dehydrogenase (LDH), serum albumin (SA) and immunoglobulin G (IgG) compared with SCC, a commonly used indicator of mastitis. In this experiment, milk samples were collected every 20 s from one quarter during a 120-s manual teat stimulation in ten cows. Samples were analysed for SCC, l-lactate, LDH, SA and IgG. Quarters were grouped by low (<5·0 log10 cells/ml), mid (5·0–5·7 log10 cells/ml), and high (>5·7 log10 cells/ml) SCC using the sample at t=0 s. Neither l-lactate nor LDH could statistically differentiate between low and mid-SCC quarters, but there were a significant difference in levels between the high-SCC quarters and low and mid-SCC quarters. SA could not differentiate between the low and mid-SCC quarters, but the SA levels for the high SCC quarters remained statistically different compared with low and mid-SCC quarters throughout the experiment. IgG could statistically differentiate between low and mid-SCC, although the high-SCC quarters were not statistically different from the mid-SCC quarters after 60 s. In the high-SCC quarters, a decrease was shown in all parameters during milk ejection, after t=60 s. In conclusion, alveolar milk ejection reduces the effectiveness of detection parameters when compared with SCC. With the exception of IgG, the ability of other tested parameters was not satisfactory to differentiate between quarters with low to mid-SCC levels
Effects of intramammary antibiotic therapy during the dry period on the performance of Lacaune dairy sheep under intensive management
Authors: Hernandez Fernando , Elvira Laura , Fernández Beatriz , Egea Marta , Gonzalez-Bulnes Antonio , Gonzalez-Martin Juan V , Astiz Susana
Published: December 2014

Often the only way to ensure profitability of Lacaune dairy sheep is intensive management, which requires appropriate dry-period treatment to ensure animal productivity and health. The present study aimed to investigate the effects of intramammary antibiotic dry therapy on the performance and health of Lacaune sheep under intensive management. We recorded data for 5981 complete lactation periods that followed a dry period. A total of 2402 lactation periods were preceded by a dry period involving intramammary administration of 300 mg of cephapirin benzathine (antibiotic group) and 3579 lactation periods were preceded by dry periods with no treatment (control group). The following on-farm yield data were collected for individual lactation periods: length of the subsequent lactation period; total milk yield per lactation period; daily milk yield and length of the subsequent dry period. Data on confounding factors that might affect productivity were also recorded, including the individual ewe, number of lactation periods and length of the previous dry period. Milk quality was assessed using data on somatic cell count (SCC) and content of protein and fat taken from the Spanish National Official Milk Yield Recording System. Antibiotic dry therapy significantly improved total yield per lactation period, which was 429±151·1 l in the antibiotic group and 412±165·5 l in the control group, as well as the daily milk yield, which was 1986±497·0 and 1851±543·2 ml/d, respectively (both P<0·0001). The initial dry period was significantly longer in the antibiotic group than in the control group, and dry period length correlated inversely with yield variables such us total yield per lactation period (r=−0·055; P<0·0001) and yield per day in milk (r=−0·039; P<0·0001). As a result, milk yield records systematically underestimated the positive effects of antibiotic dry therapy. Antibiotic dry therapy also significantly improved milk quality. Milk from the antibiotic group showed 50% lower SCC (573±1326 vs. 1022±2126 cells/ml; P<0·0001) and slightly higher content in fat (7·33±0·91 vs. 7·15±0·87%) and protein (5·63±0·44 vs. 5·44±0·4%). The results of this study suggest that cephalosporin dry therapy of Lacaune dairy sheep increases milk production and improves milk quality during subsequent lactation periods.
Magnetic-field generation by the ablative nonlinear Rayleigh–Taylor instability
Authors: Nilson Philip M. , Gao L. , Igumenshchev I. V. , Fiksel G. , Yan R. , Davies J. R. , Martinez D. , Smalyuk V. A. , Haines M. G. , Blackman E. G. , Froula D. H. , Betti R. , Meyerhofer D. D.
Published: December 2014

Experiments reporting magnetic-field generation by the ablative nonlinear Rayleigh–Taylor (RT) instability are reviewed. The experiments show how large-scale magnetic fields can, under certain circumstances, emerge and persist in strongly driven laboratory and astrophysical flows at drive pressures exceeding one million times atmospheric pressure.
Reconnaissances1.27–71, ou la réponse d'un groupe judéo-chrétien de Judée au désastre du soulèvement de Bar-Kokhba
Authors: Bourgel Jonathan
Published: December 2014

This article discusses two characteristics of the Jewish-Christian source inRecognitions1.27–71, namely its fierce opposition to sacrifices and its emphasis on the historical ties between the Jews and the land of Judea. There is reason to think that this document expresses the reaction of Jewish-Christians of Judaea to the disaster of the Bar-Kokhba uprising. On the one hand, they considered the military defeat and its consequences as a divine punishment for the rebels’ attempt to renew the sacrificial cult; and, on the other hand, they fought the paganisation of Judea by defending the historical right of the Jews to possess this land.
Glaube zwischen Bekenntnis und Welterfahrung: Zur Theologie Dieter Lührmanns
Authors: Körtner Ulrich H. J.
Published: December 2014

Dieter Lührmann (1939–2013), whose last post was as a teaching professor at the University of Marburg, was a highly esteemed New Testament scholar and theologian. In the tradition of Rudolf Bultmann and his teacher Günther Bornkamm he was a proponent of a theological exegesis which combined strict philological and historical work with theological thought. One of the main points of his research was the concept of faith in early Christianity. According to Lührmann, Christian faith inherently implies a tension between confession and worldly experience. This appraisal of Dieter Lührmann's theological path and achievements focuses on the aforementioned tension and definition of faith which characterise his theological exegesis and theology.
The Catalan simplicial set
Authors: BUCKLEY MITCHELL , GARNER RICHARD , LACK STEPHEN , STREET ROSS
Published: December 2014

The Catalan numbers are well known to be the answer to many different counting problems, and so there are many different families of sets whose cardinalities are the Catalan numbers. We show how such a family can be given the structure of a simplicial set. We show how the low-dimensional parts of this simplicial set classify, in a precise sense, the structures of monoid and of monoidal category. This involves aspects of combinatorics, algebraic topology, quantum groups, logic, and category theory.
Vaccination of cattle only is sufficient to stop FMDV transmission in mixed populations of sheep and cattle
Authors: BRAVO DE RUEDA C. , DEKKER A. , EBLÉ P. L. , DE JONG M. C. M.
Published: December 2014

We quantified the transmission of foot-and-mouth disease virus in mixed cattle-sheep populations and the effect of different vaccination strategies. The (partial) reproduction ratios (R) in groups of non-vaccinated and vaccinated cattle and/or sheep were estimated from (published) transmission experiments. A 4 × 4 next-generation matrix (NGM) was constructed using these estimates. The dominant eigenvalue of the NGM, theRfor a mixed population, was determined for populations with different proportions of cattle and sheep and for three different vaccination strategies. The higher the proportion of cattle in a mixed cattle-sheep population, the higher theRfor the mixed population. Therefore the impact of vaccination of the cattle is higher. After vaccination of all animalsR= 0·1 independent of population composition. In mixed cattle-sheep populations with at least 14% of cattle, vaccination of cattle only is sufficient to reduceRto < 1.
The impact of whole-of-diet interventions on depression and anxiety: a systematic review of randomised controlled trials
Authors: Opie Rachelle S , O’Neil Adrienne , Itsiopoulos Catherine , Jacka Felice N
Published: December 2014

Objective

Non-pharmacological approaches to the treatment of depression and anxiety are of increasing importance, with emerging evidence supporting a role for lifestyle factors in the development of these disorders. Observational evidence supports a relationship between habitual diet quality and depression. Less is known about the causative effects of diet on mental health outcomes. Therefore a systematic review was undertaken of randomised controlled trials of dietary interventions that used depression and/or anxiety outcomes and sought to identify characteristics of programme success.

Design

A systematic search of the Cochrane, MEDLINE, EMBASE, CINAHL, PubMed and PyscInfo databases was conducted for articles published between April 1971 and May 2014.

Results

Of the 1274 articles identified, seventeen met eligibility criteria and were included. All reported depression outcomes and ten reported anxiety or total mood disturbance. Compared with a control condition, almost half (47 %) of the studies observed significant effects on depression scores in favour of the treatment group. The remaining studies reported a null effect. Effective dietary interventions were based on a single delivery mode, employed a dietitian and were less likely to recommend reducing red meat intake, select leaner meat products or follow a low-cholesterol diet.

Conclusions

Although there was a high level of heterogeneity, we found some evidence for dietary interventions improving depression outcomes. However, as only one trial specifically investigated the impact of a dietary intervention in individuals with clinical depression, appropriately powered trials that examine the effects of dietary improvement on mental health outcomes in those with clinical disorders are required.
Suicide Reporting Within British Newspapers’ Arts Coverage
Authors: Pitman Alexandra , Stevenson Fiona
Published: December 2014

Background: Many suicide prevention strategies promote media guidelines on suicide reporting, given evidence that irresponsible reporting of suicide can influence imitative suicidal behavior. Due to limited resources, monitoring of guideline adherence has tended to focus on news outputs, with a risk of neglecting other journalistic content. Aims: To determine whether British newspapers’ arts coverage adheres to media guidelines on suicide reporting. Method: Purposive sampling was used to capture current national practice on suicide reporting within newspapers’ arts coverage of exhibitions. Recent major UK exhibitions by artists who had died by suicide were identified: Kirchner, Rothko, Gorky, and Van Gogh. Content analysis of all UK national newspaper coverage of these exhibitions was performed to measure the articles’ adherence to widely accepted media guidelines. Results: In all, 68 newspaper reviews satisfied inclusion criteria, with 100% failing to show full adherence to media guidelines: 21% used inappropriate language; 38% provided explicit descriptions of the suicide; 7% employed simplistic explanations for suicide triggers; 27% romanticized the suicide; and 100% omitted information on sources of support. Conclusion: British newspapers’ arts coverage of exhibitions deviates considerably from media guidelines on the reporting of suicide. The findings suggest scope to improve journalists’ awareness of the importance of this component of suicide prevention strategies.
The Role of the Spleen in Ischemic Stroke
Authors: Pennypacker Keith R , Offner Halina
Published: December 2014

This opinion piece highlights the scientific literature reporting that the peripheral immune response to ischemic stroke originates from the spleen. Removal of the spleen not only reduces stroke-induced neurodegeneration but also cellular degeneration in the body's other tissues when exposed to ischemic conditions.
Cell type-specific delivery of short interfering RNAs by dye-functionalised theranostic nanoparticles
Authors: Press Adrian T. , Traeger Anja , Pietsch Christian , Mosig Alexander , Wagner Michael , Clemens Mark G. , Jbeily Nayla , Koch Nicole , Gottschaldt Michael , Bézière Nicolas , Ermolayev Volodymyr , Ntziachristos Vasilis , Popp Jürgen , Kessels Michael M. , Qualmann Britta , Schubert Ulrich S. , Bauer Michael
Published: December 2014

Efficient delivery of short interfering RNAs reflects a prerequisite for the development of RNA interference therapeutics. Here, we describe highly specific nanoparticles, based on near infrared fluorescent polymethine dye-derived targeting moieties coupled to biodegradable polymers. The fluorescent dye, even when coupled to a nanoparticle, mimics a ligand for hepatic parenchymal uptake transporters resulting in hepatobiliary clearance of approximately 95% of the dye within 45 min. Body distribution, hepatocyte uptake and excretion into bile of the dye itself, or dye-coupled nanoparticles can be tracked by intravital microscopy or even non-invasively by multispectral optoacoustic tomography. Efficacy of delivery is demonstrated in vivo using 3-hydroxy-3-methyl-glutaryl-CoA reductase siRNA as an active payload resulting in a reduction of plasma cholesterol levels if siRNA was formulated into dye-functionalised nanoparticles. This suggests that organ-selective uptake of a near infrared dye can be efficiently transferred to theranostic nanoparticles allowing novel possibilities for personalised silencing of disease-associated genes.
Lattice-free prediction of three-dimensional structure of programmed DNA assemblies
Authors: Pan Keyao , Kim Do-Nyun , Zhang Fei , Adendorff Matthew R. , Yan Hao , Bathe Mark
Published: December 2014

DNA can be programmed to self-assemble into high molecular weight 3D assemblies with precise nanometer-scale structural features. Although numerous sequence design strategies exist to realize these assemblies in solution, there is currently no computational framework to predict their 3D structures on the basis of programmed underlying multi-way junction topologies constrained by DNA duplexes. Here, we introduce such an approach and apply it to assemblies designed using the canonical immobile four-way junction. The procedure is used to predict the 3D structure of high molecular weight planar and spherical ring-like origami objects, a tile-based sheet-like ribbon, and a 3D crystalline tensegrity motif, in quantitative agreement with experiments. Our framework provides a new approach to predict programmed nucleic acid 3D structure on the basis of prescribed secondary structure motifs, with possible application to the design of such assemblies for use in biomolecular and materials science.
Observing classical nucleation theory at work by monitoring phase transitions with molecular precision
Authors: Sleutel Mike , Lutsko Jim , Van Driessche Alexander E.S. , Durán-Olivencia Miguel A. , Maes Dominique
Published: December 2014

It is widely accepted that many phase transitions do not follow nucleation pathways as envisaged by the classical nucleation theory. Many substances can traverse intermediate states before arriving at the stable phase. The apparent ubiquity of multi-step nucleation has made the inverse question relevant: does multistep nucleation always dominate single-step pathways? Here we provide an explicit example of the classical nucleation mechanism for a system known to exhibit the characteristics of multi-step nucleation. Molecular resolution atomic force microscopy imaging of the two-dimensional nucleation of the protein glucose isomerase demonstrates that the interior of subcritical clusters is in the same state as the crystalline bulk phase. Our data show that despite having all the characteristics typically associated with rich phase behaviour, glucose isomerase 2D crystals are formed classically. These observations illustrate the resurfacing importance of the classical nucleation theory by re-validating some of the key assumptions that have been recently questioned.
Review on Ion Mobility Spectrometry. Part 2: hyphenated methods and effects of experimental parameters
Authors: Cumeras R. , Figueras E. , Davis C. E. , Baumbach J. I. , Gràcia I.
Published: December 2014

The IMS hyphenated techniques and the effect of experimental parameters on IMS.
Magnetic retrieval of ionic liquid formed during in situ metathesis dispersive liquid–liquid microextraction–preconcentration of selected endocrine disrupting phenols from an enlarged sample volume
Authors: Zgoła-Grześkowiak Agnieszka
Published: December 2014

A new in situ dispersive liquid–liquid microextraction procedure with magnetic retrieval of ionic liquid and quantification by LC-MS/MS has been presented. Selected endocrine disrupting phenols were determined.
Research on the detection of SF6 decomposition products based on non-resonant photoacoustic spectroscopy
Authors: Luo J. , Fang Y. H. , Zhao Y. D. , Wang A. J. , Li D. C. , Li Y. Y. , Liu Y. , Cui F. X. , Wu J. , Liu J. X.
Published: December 2014

Using a low-cost infrared light source and a selection of narrowband filters, the non-resonant photoacoustic device is able to detect CO, SO2 and CF4 in SF6 down to a few ppm.
Virtues and limitations of Pittsburgh green for ozone detection
Authors: Castelló Beltrán Carlos , Palmer Elliott A. , Buckley Benjamin R. , Iza Felipe
Published: December 2014

A recently proposed 2′,7′-dichlorofluorescein (DCF)-derived fluorescent probe for the detection of ozone shows good selectivity against a number of reactive oxygen species and good pH stability for biological and environmental applications.
Enhanced performance of dye-sensitized solar cells based on TiO2nanotube membranes using an optimized annealing profile
Authors: Mohammadpour F. , Moradi M. , Lee K. , Cha G. , So S. , Kahnt A. , Guldi D. M. , Altomare M. , Schmuki P.
Published: December 2014

Free standing TiO2nanotube membranes are transferred onto FTO slides in front-side illuminated dye-sensitized solar cells (DSSCs). The electronic properties of the tubes and, as a result, the efficiency of the DSSCs can be considerably improved by ramped annealing.
Thiophosphoramides as cooperative catalysts for copper-catalyzed arylation of carboxylates with diaryliodonium salts
Authors: Bhattarai Bijay , Tay Jia-Hui , Nagorny Pavel
Published: December 2014

A thiophosphoramide-based co-catalyst was found to significantly accelerate copper(ii) trifluoromethanesulfonate-catalyzed arylation of potassium carboxylates with diaryliodonium salts.
Highly selective synthesis of functionalized polyhydroisoquinoline derivatives via a three-component domino reaction
Authors: Feng Xian , Wang Jian-Jun , Xun Zhan , Zhang Juan-Juan , Huang Zhi-Bin , Shi Da-Qing
Published: December 2014

Two series of novel functionalized polyhydroisoquinoline derivatives have been synthesized via the three-component domino reaction under microwave irradiation conditions.
Ultrasensitive electrochemical detection of breast cancer cells based on DNA-rolling-circle-amplification-directed enzyme-catalyzed polymerization
Authors: Sheng Qinglin , Cheng Ni , Bai Wushuang , Zheng Jianbin
Published: December 2014

An ultrasensitive cytosensor based on DNA-rolling-circle-amplification-directed enzyme-catalyzed polymerization is demonstrated.
Upconversion luminescence enhancement of Yb3+, Nd3+ sensitized NaYF4 core–shell nanocrystals on Ag grating films
Authors: Xu Wen , Song Hongwei , Chen Xu , Wang Haiyu , Cui Shaobo , Zhou Donglei , Zhou Pingwei , Xu Sai
Published: December 2014

The UCL enhancement of NaYF4:Yb3+,Tm3+@NaYF4:Yb3+,Nd3+ core–shell NCs resulting from Ag grating structures provides a novel insight for improving UCL.
Trapping bound water within a polymer electrolyte membrane of calcium phosphotungstate for efficient CO2 capture
Authors: Li Yifan , Xin Qingping , Wang Shaofei , Tian Zhizhang , Wu Hong , Liu Ye , Jiang Zhongyi
Published: December 2014

Calcium phosphotungstate is utilized to fabricate a polymer electrolyte membrane for the first time. The strong hygroscopicity of both Ca2+ and PW12O403− is found to “trap” bound water within the membrane, resulting in an appealing CO2 capture performance.
Correction: Self-decoration of Pt metal particles on TiO2 nanotubes used for highly efficient photocatalytic H2 production
Authors: Basahel Sulaiman N. , Lee Kiyoung , Hahn Robert , Schmuki Patrik , Bawaked Salem M. , Al-Thabaiti Shaeel A.
Published: December 2014

Correction for ‘Self-decoration of Pt metal particles on TiO2 nanotubes used for highly efficient photocatalytic H2 production’ by Sulaiman N. Basahel et al., Chem. Commun., 2014, 50, 6123–6125.
Effect of fatty acid on the formation of ITO nanocrystals via one-pot pyrolysis reaction
Authors: Luo Shaojuan , Feng Jiyun , Ng Ka Ming
Published: December 2014

ITO nanocrystal dispersions were synthesized by direct pyrolysis of the as-synthesized indium–tin carboxylate precursors without using additional organic solvents.
Are thermodynamic cycles necessary for continuum solvent calculation of pKas and reduction potentials?
Authors: Ho Junming
Published: December 2014

Continuum solvent calculations of pKas and reduction potentials usually entail the use of a thermodynamic cycle to express the reaction free energy in terms of gas phase energies and free energies of solvation.
Salt-specific effects observed in calorimetric studies of alkali and tetraalkylammonium salt solutions of poly(thiophen-3-ylacetic acid)
Authors: Hostnik Gregor , Vlachy Vojko , Bondarev Dmitrij , Vohlídal Jir̆í , Cerar Janez
Published: December 2014

Differences in hydration of counterions are blamed for strong salt-specific effects produced upon dilution and mixing of poly(thiophene-3-ylacetic acid) salts with simple salts.
Rectification inversion in oxygen substituted graphyne–graphene-based heterojunctions
Authors: Zhao Wen-kai , Cui Bin , Fang Chang-feng , Ji Guo-min , Zhao Jing-fen , Kong Xiang-ru , Zou Dong-qing , Jiang Xiao-hui , Li Dong-mei , Liu De-sheng
Published: December 2014

The current rectification behavior could be tuned by varying the number and location of oxygen atoms in the zigzag graphyne nanoribbon parts, and the rectification direction could be reversed due to the parity limitation tunneling effect.
Bio-sensing with butterfly wings: naturally occurring nano-structures for SERS-based malaria parasite detection
Authors: Garrett Natalie L. , Sekine Ryo , Dixon Matthew W. A. , Tilley Leann , Bambery Keith R. , Wood Bayden R.
Published: December 2014

A gold-coated butterfly wing is used as a SERS substrate to diagnose malaria based on intense scattering from hemozoin aggregates.
A study on the inhibition of dihydrofolate reductase (DHFR) from Escherichia coli by gold(i) phosphane compounds. X-ray crystal structures of (4,5-dichloro-1H-imidazolate-1-yl)-triphenylphosphane-gold(i) and (4,5-dicyano-1H-imidazolate-1-yl)-triphenylphosphane-gold(i)
Authors: Galassi Rossana , Oumarou Camille Simon , Burini Alfredo , Dolmella Alessandro , Micozzi Daniela , Vincenzetti Silvia , Pucciarelli Stefania
Published: December 2014

A study on the inhibition of dihydrofolate reductase (DHFR) by gold(i) compounds has been performed.
Optical properties and limiting photocurrent of thin-film perovskite solar cells
Authors: Ball James M. , Stranks Samuel D. , Hörantner Maximilian T. , Hüttner Sven , Zhang Wei , Crossland Edward J. W. , Ramirez Ivan , Riede Moritz , Johnston Michael B. , Friend Richard H. , Snaith Henry J.
Published: December 2014

Thorough measurements of the optical constants of CH3NH3PbI3are used to determine the limiting parasitic losses in solar cells revealing up to 100% IQE and excellent performance at oblique incidence.
Supercapacitor electrode materials: nanostructures from 0 to 3 dimensions
Authors: Yu Zenan , Tetard Laurene , Zhai Lei , Thomas Jayan
Published: December 2014

A review of supercapacitor electrode materials with 0, 1, 2, and 3 dimensional nanostructures.
Relating the effects of protein type and content in increased-protein cheese pies to consumers’ perception of satiating capacity
Authors: Marcano J. , Varela P. , Fiszman S.
Published: December 2014

Increasing the protein content proved to be a good strategy for raising expectations on the satiating capacity of a cheese pie model.
Detaching droplets in immiscible fluids from a solid substrate with the help of electrowetting
Authors: Hong Jiwoo , Lee Sang Joon
Published: December 2014

The detachment (or removal) of droplets from a solid surface is an indispensable process in numerous practical applications which utilize digital microfluidics, including cell-based assay, chip cooling, and particle sampling.
High process yield rates of thermoplastic nanofluidic devices using a hybrid thermal assembly technique
Authors: Uba Franklin I. , Hu Bo , Weerakoon-Ratnayake Kumuditha , Oliver-Calixte Nyote , Soper Steven A.
Published: December 2014

A low temperature hybrid assembly process for the production of functional thermoplastic nanofluidic devices with process yield rates >90% and an assembly time of 16 min is reported.
Transient supramolecular reconfiguration of peptide nanostructures using ultrasound
Authors: Pappas Charalampos G. , Mutasa Tapiwa , Frederix Pim W. J. M. , Fleming Scott , Bai Shuo , Debnath Sisir , Kelly Sharon M. , Gachagan Anthony , Ulijn Rein V.
Published: December 2014

Ultrasound, i.e. high frequency oscillating pressure waves, was used to achieve transient reorganization of supramolecular peptide nanostructures, which revert back to the original state when sound is switched off.
Synthesis of a visible-light active V2O5–g-C3N4 heterojunction as an efficient photocatalytic and photoelectrochemical material
Authors: Jayaraman Theerthagiri , Arumugam Raja Senthil , Priya Annadurai , Jagannathan Madhavan , Ashokkumar Muthupandian
Published: December 2014

Synergistic enhancement of the photocatalytic degradation of DR81 using V2O5–g-C3N4 is due to an increase in visible-light absorption efficiency and rapid photoinduced charge separation.
Carbon nanodots as ligand exchange probes in Au@C-dot nanobeacons for fluorescent turn-on detection of biothiols
Authors: Mandani Sonam , Sharma Bhagwati , Dey Deepa , Sarma Tridib K.
Published: December 2014

Au@C-dot nanocomposite functions as a fluorescent turn-on sensor for the selective assay of biothiols based on ligand exchange occurring on the Au nanoparticle surface and replacement of C-dots.
N-heterocyclic carbene-catalyzed [4 + 2] cyclization of 2-bromo-2-enal with 3-alkylenyloxindoles: efficient assembly of spirocarbocyclic oxindole
Authors: Xie Yuanwei , Que Yonglei , Li Tuanjie , Zhu Ling , Yu Chenxia , Yao Changsheng
Published: December 2014

A NHC-catalyzed [4 + 2] cyclization of 2-bromo-2-enal bearing γ-H with 3-alkylenyloxindoles under mild reaction conditions gives spirocarbocyclic oxindoles containing one quaternary carbon with high diastereoselectivies.
Transition metal catalyzed meta-C–H functionalization of aromatic compounds
Authors: Yang Jiong
Published: December 2014

This review summarizes synthetic methods for directing group guided, transition metal catalyzed meta-C–H functionalization of aromatic compounds.
Rapid access to glycopeptide antibiotic precursor peptides coupled with cytochrome P450-mediated catalysis: towards a biomimetic synthesis of glycopeptide antibiotics
Authors: Brieke Clara , Kratzig Veronika , Haslinger Kristina , Winkler Andreas , Cryle Max J.
Published: December 2014

One Cytochrome P450 enzyme performs the phenolic crosslinking of a range of chemically synthesized, carrier-protein loaded glycopeptide antibiotic precursor peptides.
Supramolecular aggregates from polyacrylates and Gd(iii)-containing cationic surfactants as high-relaxivity MRI contrast agents
Authors: Chen Yingying , Zhu Qin , Tian Yu , Tang Weijun , Pan Fei , Xiong Rulin , Yuan Yuan , Hu Aiguo
Published: December 2014

The assembly behavior of narrowly dispersed poly(sodium acrylate) (PAAS) of different molecular weights with Gd(iii)-containing cationic metallosurfactants (MS) was investigated by DLS, TEM and relaxivity plotting.
Controlling the microstructure of MFI zeolites with Mg(OH)2 nanocrystals to improve their catalytic performances
Authors: Wei Huijuan , Zhang Ning , Zhao Tian , Liu Yangqing , Wen Yiqiang , Wang Xiangyu , Li Baojun
Published: December 2014

The microstructure of TS-1 and S-1 were affected by Mg(OH)2 NCs and their catalytic performance has been improved.
Nonlinear optical properties of Au/Ag alloyed nanoboxes and their applications in both in vitro and in vivo bioimaging under long-wavelength femtosecond laser excitation
Authors: Li Kanghui , Wang Yalun , Cai Fuhong , Yu Jiaxin , Wang Shaowei , Zhu Zhenfeng , Chu Liliang , Zhang Hequn , Qian Jun , He Sailing
Published: December 2014

We synthesize Au/Ag alloyed nanoboxes (ANBs) with different LSPR (localized surface plasmon resonance) peak wavelengths and observe their various nonlinear optical properties.
Solvent-free synthesis of triazines using N-halosulfonamides
Authors: Ghorbani-Vaghei Ramin , Shahriari Azadeh , Salimi Zahra , Hajinazari Somayeh
Published: December 2014

We have developed an efficient procedure for the synthesis of 1,2,4-triazine derivatives using [TBBDA] and [PBBS] as new catalysts.
Selective electrochemical determination of trace level copper using a salicylaldehyde azine/MWCNTs/Nafion modified pyrolytic graphite electrode by the anodic stripping voltammetric method
Authors: Liao Yuan , Li Qian , Yue Ying , Shao Shijun
Published: December 2014

Schematic illustration of Cu2+in solution detection using a SA/MWCNTs/Nafion modified PGE.
Enantioselective cyanosilylation of aldehydes catalyzed by a multistereogenic salen–Mn(iii) complex with a rotatable benzylic group as a helping hand
Authors: Wei Yun-Long , Huang Wei-Sheng , Cui Yu-Ming , Yang Ke-Fang , Xu Zheng , Xu Li-Wen
Published: December 2014

A multistereogenic salen–Mn(iii) complex bearing an aromatic pocket and two benzylic groups as helping hands was found to be efficient in the catalysis of asymmetric cyanosilylation.
Photocatalytic water oxidation over PbCrO4 with 2.3 eV band gap in IO3−/I− redox mediator under visible light
Authors: Miseki Y. , Kitao O. , Sayama K.
Published: December 2014

PbCrO4 which possesses attractive optical absorption properties (BG: 2.3 eV) and electronic structure showed photocatalyzed water oxidation activity in the presence of IO3− ions.
Preparation and tribological properties of Ti3C2(OH)2 nanosheets as additives in base oil
Authors: Zhang Xianghua , Xue Maoquan , Yang Xinghua , Wang Zhiping , Luo Guangsi , Huang Zhide , Sui Xiaoli , Li Changsheng
Published: December 2014

Two-dimensional Ti3C2(OH)2 nanosheets and tribological properties for oil-based additives.
Effective co-sensitization using D–π–A dyes with a pyridyl group adsorbing at Brønsted acid sites and Lewis acid sites on a TiO2 surface for dye-sensitized solar cells
Authors: Ooyama Yousuke , Uenaka Koji , Sato Takafumi , Shibayama Naoyuki , Ohshita Joji
Published: December 2014

Effective and convenient co-sensitization method for DSSC have been newly developed by employing two kinds of D–π–A dyes with pyridyl group capable of adsorbing at the Brønsted acid sites and the Lewis acid sites on TiO2 surface.
Emission properties of dye-doped cationic nanoparticles: size, surfactant and monomeric composition effects
Authors: Enciso Eduardo , Cerdán Luis , Gartzia-Rivero Leire , Bañuelos Jorge , Costela Angel , López-Arbeloa Iñigo , García-Moreno Inmaculada
Published: December 2014

A most careful selection of monomers and surfactants must be carried out in order to boost the emission properties of dye-doped cationic nanoparticles.
Preparation, characterization and properties of PLA/TiO2nanocomposites based on a novel vane extruder
Authors: Zhang Haichen , Huang Jintao , Yang Li , Chen Rongyuan , Zou Wei , Lin Xiangkun , Qu Jinping
Published: December 2014

Polylactide/TiO2nanocomposites with different contents of nanoscale TiO2were prepared by melt blending with a vane extruder in this work.
Bite-angle bending as a key for understanding group-10 metal reactivity of d10-[M(NHC)2] complexes with sterically modest NHC ligands
Authors: Hering Florian , Nitsch Jörn , Paul Ursula , Steffen Andreas , Bickelhaupt F. Matthias , Radius Udo
Published: December 2014

Experimental and theoretical investigations on the novel 14 VE complexes [M0(iPr2Im)2] (M = Pd3, Pt4; iPr2Im = 1,3-di-isopropyl-imidazolin-2-ylidene) and a comparison to their Ni congener reveal that NHC–M–NHC angle bending is a key to understand the reactivity of d10-[M(NHC)2] complexes.
Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles
Authors: Kim Sung Kuk , Lynch Vincent M. , Hay Benjamin P. , Kim Jong Seung , Sessler Jonathan L.
Published: December 2014

Cone- and conformationally mobile calix[4]arene-strapped calix[4]pyrroles bind cesium salts via various different binding modes.
Magnetic microgels, a promising candidate for enhanced magnetic adsorbent particles in bioseparation: synthesis, physicochemical characterization, and separation performance
Authors: Turcu Rodica , Socoliuc Vlad , Craciunescu Izabell , Petran Anca , Paulus Anja , Franzreb Matthias , Vasile Eugeniu , Vekas Ladislau
Published: December 2014

High magnetization of spherically shaped superparamagnetic functionalized microgels with 99.9% separation efficiency synthesized by a ferrofluid-based miniemulsion procedure.
Lithium-rich Li1.2Ni0.13Co0.13Mn0.54O2 oxide coated by Li3PO4 and carbon nanocomposite layers as high performance cathode materials for lithium ion batteries
Authors: Liu Hui , Chen Cheng , Du Chunyu , He Xiaoshu , Yin Geping , Song Bai , Zuo Pengjian , Cheng Xinqun , Ma Yulin , Gao Yunzhi
Published: December 2014

A lithium-rich Li1.2Ni0.13Co0.13Mn0.54O2 material coated by fast Li+ and electron conductors exhibits outstanding rate capability, cyclability and initial coulombic efficiency.
Highly improved performance of ZnII tetraarylporphyrinates in DSSCs by the presence of octyloxy chains in the aryl rings
Authors: Orbelli Biroli A. , Tessore F. , Vece V. , Di Carlo G. , Mussini P. R. , Trifiletti V. , De Marco L. , Giannuzzi R. , Manca M. , Pizzotti M.
Published: December 2014

The presence of octyloxy chains in the o,o-, o,p- or o-positions, instead of bulky t-butyl groups at the m-positions of the four phenyl groups of β-substituted ZnII-tetraarylporphyrinate dyes, improves the power conversion efficiency in DSSCs.