bluuebunny/crossref_metadata_2025 huggingface dataset:
Performance of Combined Models in Discrete Binary	Classification
Authors: Marques Anabela , Ferreira Ana Sousa , Cardoso Margarida G. M. S.
Published: February 2017

Abstract. Diverse Discrete Discriminant Analysis (DDA) models perform differently in different samples. This fact has encouraged research in combined models which seems particularly promising when the a priori classes are not well separated or when small or moderate sized samples are considered, which often occurs in practice. In this study, we evaluate the performance of a convex combination of two DDA models: the First-Order Independence Model (FOIM) and the Dependence Trees Model (DTM). We use simulated data sets with two classes and consider diverse data complexity factors which may influence performance of the combined model – the separation of classes, balance, and number of missing states, as well as sample size and also the number of parameters to be estimated in DDA. We resort to cross-validation to evaluate the precision of classification. The results obtained illustrate the advantage of the proposed combination when compared with FOIM and DTM: it yields the best results, especially when very small samples are considered. The experimental study also provides a ranking of the data complexity factors, according to their relative impact on classification performance, by means of a regression model. It leads to the conclusion that the separation of classes is the most influential factor in classification performance. The ratio between the number of degrees of freedom and sample size, along with the proportion of missing states in the minority class, also has significant impact on classification performance. An additional gain of this study, also deriving from the estimated regression model, is the ability to successfully predict the precision of classification in a real data set based on the data complexity factors.
When Income Goes Up, Does Pollution Go Down?
Authors: Branscombe Alexandra
Published: February 2017

Scientists look at a possible connection between increased wealth and decreased water pollution in Louisiana.
A novel approach for the identification of efficient combination therapies in primary human acute myeloid leukemia specimens
Authors: Baccelli I , Krosl J , Boucher G , Boivin I , Lavallée V-P , Hébert J , Lemieux S , Marinier A , Sauvageau G
Published: February 2017

Appropriate culture methods for the interrogation of primary leukemic samples were hitherto lacking and current assays for compound screening are not adapted for large-scale investigation of synergistic combinations. In this study, we report a novel approach that efficiently distills synthetic lethal interactions between small molecules active on primary human acute myeloid leukemia (AML) specimens. In single-dose experiments and under culture conditions preserving leukemia stem cell activity, our strategy considerably reduces the number of tests needed for the identification of promising compound combinations. Initially conducted with a selected library of 5000 small molecules and 20 primary AML specimens, it reveals 5 broad classes of sensitized therapeutic target pathways along with their synergistic patient-specific fingerprints. This novel method opens new avenues for the development of AML personalized therapeutics and may be generalized to other tumor types, for which in vitro cancer stem cell cultures have been developed.
Host specificity of Symbiodinium variants revealed by an ITS2 metahaplotype approach
Authors: Smith Edward G , Ketchum Remi N , Burt John A
Published: February 2017

Analysis of the widely used ITS region is confounded by the presence of intragenomic variants (IGVs). In Symbiodinium, the algal symbionts of reef building corals, deep-sequencing analyses are used to characterise communities within corals, yet these analyses largely overlook IGVs. Here we consider that distinct ITS2 sequences could represent IGVs rather than distinct symbiont types and argue that symbionts can be distinguished by their proportional composition of IGVs, described as their ITS2 metahaplotype. Using our metahaplotype approach on Minimum Entropy Decomposition (MED) analysis of ITS2 sequences from the corals Acropora downingi, Cyphastrea microphthalma and Playgyra daedalea, we show the dominance of a single species-specific Symbiodinium C3 variant within each coral species. We confirm the presence of these species-specific symbionts using the psbA non-coding region. Our findings highlight the importance of accounting for IGVs in ITS2 analyses and demonstrate their capacity to resolve biological patterns that would otherwise be overlooked.
Antibody-controlled actuation of DNA-based molecular circuits
Authors: Engelen Wouter , Meijer Lenny H. H. , Somers Bram , de Greef Tom F. A. , Merkx Maarten
Published: February 2017

DNA-based molecular circuits allow autonomous signal processing, but their actuation has relied mostly on RNA/DNA-based inputs, limiting their application in synthetic biology, biomedicine and molecular diagnostics. Here we introduce a generic method to translate the presence of an antibody into a unique DNA strand, enabling the use of antibodies as specific inputs for DNA-based molecular computing. Our approach, antibody-templated strand exchange (ATSE), uses the characteristic bivalent architecture of antibodies to promote DNA-strand exchange reactions both thermodynamically and kinetically. Detailed characterization of the ATSE reaction allowed the establishment of a comprehensive model that describes the kinetics and thermodynamics of ATSE as a function of toehold length, antibody–epitope affinity and concentration. ATSE enables the introduction of complex signal processing in antibody-based diagnostics, as demonstrated here by constructing molecular circuits for multiplex antibody detection, integration of multiple antibody inputs using logic gates and actuation of enzymes and DNAzymes for signal amplification.
Climbing favours the tripod gait over alternative faster insect gaits
Authors: Ramdya Pavan , Thandiackal Robin , Cherney Raphael , Asselborn Thibault , Benton Richard , Ijspeert Auke Jan , Floreano Dario
Published: February 2017

To escape danger or catch prey, running vertebrates rely on dynamic gaits with minimal ground contact. By contrast, most insects use a tripod gait that maintains at least three legs on the ground at any given time. One prevailing hypothesis for this difference in fast locomotor strategies is that tripod locomotion allows insects to rapidly navigate three-dimensional terrain. To test this, we computationally discovered fast locomotor gaits for a model based on Drosophila melanogaster. Indeed, the tripod gait emerges to the exclusion of many other possible gaits when optimizing fast upward climbing with leg adhesion. By contrast, novel two-legged bipod gaits are fastest on flat terrain without adhesion in the model and in a hexapod robot. Intriguingly, when adhesive leg structures in real Drosophila are covered, animals exhibit atypical bipod-like leg coordination. We propose that the requirement to climb vertical terrain may drive the prevalence of the tripod gait over faster alternative gaits with minimal ground contact.
Effective mass and Fermi surface complexity factor from ab initio band structure calculations
Authors: Gibbs Zachary M. , Ricci Francesco , Li Guodong , Zhu Hong , Persson Kristin , Ceder Gerbrand , Hautier Geoffroy , Jain Anubhav , Snyder G. Jeffrey
Published: February 2017

The effective mass is a convenient descriptor of the electronic band structure used to characterize the density of states and electron transport based on a free electron model. While effective mass is an excellent first-order descriptor in real systems, the exact value can have several definitions, each of which describe a different aspect of electron transport. Here we use Boltzmann transport calculations applied to ab initio band structures to extract a density-of-states effective mass from the Seebeck Coefficient and an inertial mass from the electrical conductivity to characterize the band structure irrespective of the exact scattering mechanism. We identify a Fermi Surface Complexity Factor: $${N}_{{\rm{v}}}^{\ast }{K}^{\ast }$$

N

v

*

K

*

from the ratio of these two masses, which in simple cases depends on the number of Fermi surface pockets $$({N}_{{\rm{v}}}^{\ast })$$

(

N

v

*

)

and their anisotropy K*, both of which are beneficial to high thermoelectric performance as exemplified by the high values found in PbTe. The Fermi Surface Complexity factor can be used in high-throughput search of promising thermoelectric materials.
Correction: Corrigendum: Defining a Radiomic Response Phenotype: A Pilot Study using targeted therapy in NSCLC
Authors: Aerts Hugo J. W. L. , Grossmann Patrick , Tan Yongqiang , Oxnard Geoffrey R. , Rizvi Naiyer , Schwartz Lawrence H. , Zhao Binsheng
Published: February 2017

Scientific Reports 6: Article number: 33860; published online: 20 September 2016; updated: 17 February 2017 The original version of this Article contained a typographical error in the spelling of the author Geoffrey R. Oxnard, which was incorrectly given as Geoffrey G. Oxnard. Additionally, the original version of this Article contained an error in Figure 4A, where an asterisk was omitted in error.
Novel Roles for Staufen1 in Embryonal and Alveolar Rhabdomyosarcoma via c-myc-dependent and -independent events
Authors: Crawford Parks Tara E. , Marcellus Kristen A. , Langill Jonathan , Ravel-Chapuis Aymeric , Michaud Jean , Cowan Kyle N. , Côté Jocelyn , Jasmin Bernard J.
Published: February 2017

Rhabdomyosarcoma is the most common soft tissue sarcoma in children and young adults. Rhabdomyosarcomas are skeletal muscle-like tumours that typically arise in muscle beds, and express key myogenic regulatory factors. However, their developmental program remains blocked in the proliferative phase with cells unable to exit the cell cycle to fuse into myotubes. Recently, we uncovered a key role for the RNA-binding protein Staufen1 during myogenic differentiation through the regulation of c-myc translation. Given the known implication of c-myc in rhabdomyosarcoma, we hypothesized in the current work that Staufen1 controls rhabdomyosarcoma tumorigenesis. Here, we report for the first time the novel role of Staufen1 in cancer, specifically in rhabdomyosarcoma. We demonstrate that Staufen1 is markedly upregulated in human rhabdomyosarcoma tumours and cell lines as compared to normal skeletal muscle. Moreover, we show that Staufen1 promotes the tumorigenesis of embryonal and alveolar rhabdomyosarcoma subtypes both in cell culture and in animal models. Finally, our data demonstrate that Staufen1 has differential roles in embryonal versus alveolar rhabdomyosarcoma through the control of proliferative and apoptotic pathways, respectively. Together, these results provide the first evidence for Staufen1’s direct implication in cancer biology. Accordingly, Staufen1 thus represents a novel target for the development of future therapeutic strategies for rhabdomyosarcoma.
Generation and quantitative proteomics analysis of CK2α/α’(−/−) cells
Authors: Borgo Christian , Franchin Cinzia , Scalco Stefano , Bosello-Travain Valentina , Donella-Deana Arianna , Arrigoni Giorgio , Salvi Mauro , Pinna Lorenzo A.
Published: February 2017

CK2 is a ubiquitous, constitutively active, highly pleiotropic, acidophilic Ser/Thr protein kinase whose holoenzyme is composed of two catalytic (α and/or α’) subunits and a dimer of a non-catalytic β subunit. Abnormally high CK2 level/activity is often associated with malignancy and a variety of cancer cells have been shown to rely on it to escape apoptosis. To gain information about the actual “druggability” of CK2 and to dissect CK2 dependent cellular processes that are instrumental to the establishment and progression of neoplasia we have exploited the CRISPR/Cas9 genome editing technology to generate viable clones of C2C12 myoblasts devoid of either both the CK2 catalytic subunits or its regulatory β-subunit. Suppression of both CK2 catalytic subunits promotes the disappearance of the β-subunit as well, through its accelerated proteasomal degradation. A quantitative proteomics analysis of CK2α/α’(−/−) versus wild type cells shows that knocking out both CK2 catalytic subunits causes a rearrangement of the proteomics profile, with substantially altered level ( > 50%) of 240 proteins, 126 of which are up-regulated, while the other are down-regulated. A functional analysis reveals that up- and down-regulated proteins tend to be segregated into distinct sub-cellular compartments and play different biological roles, consistent with a global rewiring underwent by the cell to cope with the lack of CK2.
Solution of the spatial neutral model yields new bounds on the Amazonian species richness
Authors: Shem-Tov Yahav , Danino Matan , Shnerb Nadav M.
Published: February 2017

Neutral models, in which individual agents with equal fitness undergo a birth-death-mutation process, are very popular in population genetics and community ecology. Usually these models are applied to populations and communities with spatial structure, but the analytic results presented so far are limited to well-mixed or mainland-island scenarios. Here we combine analytic results and numerics to obtain an approximate solution for the species abundance distribution and the species richness for the neutral model on continuous landscape. We show how the regional diversity increases when the recruitment length decreases and the spatial segregation of species grows. Our results are supported by extensive numerical simulations and allow one to probe the numerically inaccessible regime of large-scale systems with extremely small mutation/speciation rates. Model predictions are compared with the findings of recent large-scale surveys of tropical trees across the Amazon basin, yielding new bounds for the species richness (between 13100 and 15000) and the number of singleton species (between 455 and 690).
Suppression of TAK1 pathway by shear stress counteracts the inflammatory endothelial cell phenotype induced by oxidative stress and TGF-β1
Authors: Lee Ee Soo , Boldo Llorenç Solé , Fernandez Bernadette O. , Feelisch Martin , Harmsen Martin C.
Published: February 2017

Endothelial dysfunction is characterised by aberrant redox signalling and an inflammatory phenotype. Shear stress antagonises endothelial dysfunction by increasing nitric oxide formation, activating anti-inflammatory pathways and suppressing inflammatory pathways. The TAK1 (MAP3K7) is a key mediator of inflammation and non-canonical TGF-β signalling. While the individual roles of TAK1, ERK5 (MAPK7) and TGF-β pathways in endothelial cell regulation are well characterised, an integrative understanding of the orchestration of these pathways and their crosstalk with the redox system under shear stress is lacking. We hypothesised that shear stress counteracts the inflammatory effects of oxidative stress and TGF-β1 on endothelial cells by restoring redox balance and repressing the TAK1 pathway. Using human umbilical vein endothelial cells, we here show that TGF-β1 aggravates oxidative stress-mediated inflammatory activation and that shear stress activates ERK5 signalling while attenuating TGF-β signalling. ERK5 activation restores redox balance, but fails to repress the inflammatory effect of TGF-β1 which is suppressed upon TAK1 inhibition. In conclusion, shear stress counteracts endothelial dysfunction by suppressing the pro-inflammatory non-canonical TGF-β pathway and by activating the ERK5 pathway which restores redox signalling. We propose that a pharmacological compound that abates TGF-β signalling and enhances ERK5 signalling may be useful to counteract endothelial dysfunction.
Characterization of celiac disease related oat proteins: bases for the development of high quality oat varieties suitable for celiac patients
Authors: Giménez María J. , Real Ana , García-Molina M. Dolores , Sousa Carolina , Barro Francisco
Published: February 2017

Some studies have suggested that the immunogenicity of oats depends on the cultivar. RP-HPLC has been proposed as a useful technique to select varieties of oats with reduced immunogenicity. The aim of this study was to identify both the avenin protein patterns associated with low gluten content and the available variability for the development of new non-toxic oat cultivars. The peaks of alcohol-soluble avenins of a collection of landraces and cultivars of oats have been characterized based on the RP-HPLC elution times. The immunotoxicity of oat varieties for patients with celiac disease (CD) has been tested using a competitive ELISA based on G12 monoclonal antibody. The oat lines show, on average, seven avenin peaks giving profiles with certain similarities. Based on this similarity, most of the accessions have been grouped into avenin patterns. The variability of RP-HPLC profiles of the collection is great, but not sufficient to uniquely identify the different varieties of the set. Overall, the immunogenicity of the collection is less than 20 ppm. However, there is a different distribution of toxicity ranges between the different peak patterns. We conclude that the RP-HPLC technique is useful to establish groups of varieties differing in degree of toxicity for CD patients.
A xandarellid artiopodan from Morocco – a middle Cambrian link between soft-bodied euarthropod communities in North Africa and South China
Authors: Ortega-Hernández Javier , Azizi Abdelfattah , Hearing Thomas W. , Harvey Thomas H. P. , Edgecombe Gregory D. , Hafid Ahmid , El Hariri Khadija
Published: February 2017

Xandarellida is a well-defined clade of Lower Palaeozoic non-biomineralized artiopodans that is exclusively known from the early Cambrian (Stage 3) Chengjiang biota of South China. Here we describe a new member of this group,Xandarella mauretanicasp. nov., from the middle Cambrian (Stage 5) Tatelt Formation of Morocco, making this the first non-trilobite Cambrian euarthropod known from North Africa.X. mauretanicasp. nov. represents the youngest occurrence of Xandarellida – extending its stratigraphic range by approximately 10 million years – and expands the palaeobiogeographic distribution of the group to the high southern palaeolatitudes of West Gondwana. The new species provides insights into the lightly sclerotized ventral anatomy of Xandarellida, and offers stratigraphically older evidence for a palaeobiogeographic connection between Burgess Shale-type euarthropod communities in North Africa and South China, relative to the (Tremadocian) Fezouata biota.
High-amplitude electrical stimulation can reduce elicited neuronal activity in visual prosthesis
Authors: Barriga-Rivera Alejandro , Guo Tianruo , Yang Chih-Yu , Abed Amr Al , Dokos Socrates , Lovell Nigel H. , Morley John W. , Suaning Gregg J.
Published: February 2017

Retinal electrostimulation is promising a successful therapy to restore functional vision. However, a narrow stimulating current range exists between retinal neuron excitation and inhibition which may lead to misperformance of visual prostheses. As the conveyance of representation of complex visual scenes may require neighbouring electrodes to be activated simultaneously, electric field summation may contribute to reach this inhibitory threshold. This study used three approaches to assess the implications of relatively high stimulating conditions in visual prostheses: (1) in vivo, using a suprachoroidal prosthesis implanted in a feline model, (2) in vitro through electrostimulation of murine retinal preparations, and (3) in silico by computing the response of a population of retinal ganglion cells. Inhibitory stimulating conditions led to diminished cortical activity in the cat. Stimulus-response relationships showed non-monotonic profiles to increasing stimulating current. This was observed in vitro and in silico as the combined response of groups of neurons (close to the stimulating electrode) being inhibited at certain stimulating amplitudes, whilst other groups (far from the stimulating electrode) being recruited. These findings may explain the halo-like phosphene shapes reported in clinical trials and suggest that simultaneous stimulation in retinal prostheses is limited by the inhibitory threshold of the retinal ganglion cells.
Severe Decline of Estimated Glomerular Filtration Rate Associates with Progressive Cognitive Deterioration in the Elderly: A Community-Based Cohort Study
Authors: Chen Yi-Chi , Weng Shuo-Chun , Liu Jia-Sin , Chuang Han-Lin , Hsu Chih-Cheng , Tarng Der-Cherng
Published: February 2017

Cognitive dysfunction is closely related to aging and chronic kidney disease (CKD). However, the association between renal function changes and the risk of developing cognitive impairment has not been elucidated. This longitudinal cohort study was to determine the influence of annual percentage change in estimated glomerular filtration rate (eGFR) on subsequent cognitive deterioration or death of the elderly within the community. A total of 33,654 elders with eGFR measurements were extracted from the Taipei City Elderly Health Examination Database. The Short Portable Mental Status Questionnaire was used to assess their cognitive progression at least twice during follow-up visits. Multivariable Cox regression models were used to estimate the hazard ratio (HR) for cognitive deterioration or all-cause mortality with the percentage change in eGFR. During a median follow-up of 5.4 years, the participants with severe decline in eGFR (>20% per year) had an increased risk of cognitive deterioration (HR, 1.33; 95% confidence interval [CI], 1.08–1.72) and the composite outcome (HR, 1.17; 95% CI, 1.03–1.35) when compared with those who had stable eGFR. Severe eGFR decline could be a possible predictor for cognitive deterioration or death among the elderly. Early detection of severe eGFR decline is a critical issue and needs clinical attentions.
Factors Affecting Leaf Selection by Foregut-fermenting Proboscis Monkeys: New Insight from in vitro Digestibility and Toughness of Leaves
Authors: Matsuda Ikki , Clauss Marcus , Tuuga Augustine , Sugau John , Hanya Goro , Yumoto Takakazu , Bernard Henry , Hummel Jürgen
Published: February 2017

Free-living animals must make dietary choices in terms of chemical and physical properties, depending on their digestive physiology and availability of food resources. Here we comprehensively evaluated the dietary choices of proboscis monkeys (Nasalis larvatus) consuming young leaves. We analysed the data for leaf toughness and digestibility measured by an in vitro gas production method, in addition to previously reported data on nutrient composition. Leaf toughness, in general, negatively correlated with the crude protein content, one of the most important nutritional factors affecting food selection by leaf-eating primates. This result suggests that leaf toughness assessed by oral sensation might be a proximate cue for its protein content. We confirmed the importance of the leaf chemical properties in terms of preference shown by N. larvatus; leaves with high protein content and low neutral detergent fibre levels were preferred to those of the common plant species. We also found that these preferred leaves were less tough and more digestible than the alternatives. Our in vitro results also suggested that N. larvatus were little affected by secondary plant compounds. However, the spatial distribution pattern of plant species was the strongest factor explaining the selection of the preferred leaf species.
Motor phenotype is not associated with vascular dysfunction in symptomatic Huntington’s disease transgenic R6/2 (160 CAG) mice
Authors: Di Pardo A. , Carrizzo A. , Damato A. , Castaldo S. , Amico E. , Capocci L. , Ambrosio M. , Pompeo F. , De Sanctis C. , Spinelli C. C. , Puca A. A. , Remondelli P. , Maglione V. , Vecchione C.
Published: February 2017

Whereas Huntington’s disease (HD) is unequivocally a neurological disorder, a critical mass of emerging studies highlights the occurrence of peripheral pathology like cardiovascular defects in both animal models and humans. The overt impairment in cardiac function is normally expected to be associated with peripheral vascular dysfunction, however whether this assumption is reasonable or not in HD is still unknown. In this study we functionally characterized the vascular system in R6/2 mouse model (line 160 CAG), which recapitulates several features of human pathology including cardiac disease. Vascular reactivity in different arterial districts was determined by wire myography in symptomatic R6/2 mice and age-matched wild type (WT) littermates. Disease stage was assessed by using well-validated behavioural tests like rotarod and horizontal ladder task. Surprisingly, no signs of vascular dysfunction were detectable in symptomatic mice and no link with motor phenotype was found.
Computer-aided designing of immunosuppressive peptides based on IL-10 inducing potential
Authors: Nagpal Gandharva , Usmani Salman Sadullah , Dhanda Sandeep Kumar , Kaur Harpreet , Singh Sandeep , Sharma Meenu , Raghava Gajendra P. S.
Published: February 2017

In the past, numerous methods have been developed to predict MHC class II binders or T-helper epitopes for designing the epitope-based vaccines against pathogens. In contrast, limited attempts have been made to develop methods for predicting T-helper epitopes/peptides that can induce a specific type of cytokine. This paper describes a method, developed for predicting interleukin-10 (IL-10) inducing peptides, a cytokine responsible for suppressing the immune system. All models were trained and tested on experimentally validated 394 IL-10 inducing and 848 non-inducing peptides. It was observed that certain types of residues and motifs are more frequent in IL-10 inducing peptides than in non-inducing peptides. Based on this analysis, we developed composition-based models using various machine-learning techniques. Random Forest-based model achieved the maximum Matthews’s Correlation Coefficient (MCC) value of 0.59 with an accuracy of 81.24% developed using dipeptide composition. In order to facilitate the community, we developed a web server “IL-10pred”, standalone packages and a mobile app for designing IL-10 inducing peptides (http://crdd.osdd.net/raghava/IL-10pred/).
A terahertz in-line polarization converter based on through-via connected double layer slot structures
Authors: Woo Jeong Min , Hussain Sajid , Jang Jae-Hyung
Published: February 2017

A terahertz (THz) in-line polarization converter that yields a polarization conversion ratio as high as 99.9% is demonstrated at 1 THz. It has double-layer slot structures oriented in orthogonal directions that are electrically connected by 1/8-wavelngth-long through-via holes beside the slot structures. The slots on the front metal-plane respond to the incident THz wave with polarization orthogonal to the slots and generates a circulating surface current around the slots. The surface current propagates along a pair of through-via holes that function as a two-wire transmission line. The propagating current generates a surface current around the backside slot structures oriented orthogonal to the slot structures on the front metal layer. The circulating current generates a terahertz wave polarized orthogonal to the backside slot structures and the 90° polarization conversion is completed. The re-radiating THz wave with 90° converted polarization propagates in the same direction as the incident THz wave.
The importance of solvent selection in Li–O2 cells
Authors: Sharon Daniel , Hirshberg Daniel , Afri Michal , Frimer Aryeh A. , Aurbach Doron
Published: February 2017

Diglyme (G2) is the highly preferred solvent choice over other types of glymes for achieving longer cycling performance of Li–O2 cells.
Ceria-based model catalysts: fundamental studies on the importance of the metal–ceria interface in CO oxidation, the water–gas shift, CO2hydrogenation, and methane and alcohol reforming
Authors: Rodriguez José A. , Grinter David C. , Liu Zongyuan , Palomino Robert M. , Senanayake Sanjaya D.
Published: February 2017

Model metal/ceria and ceria/metal catalysts have shown to be excellent systems for studying fundamental phenomena linked to the operation of technical catalysts.
Ruthenium particle size and cesium promotion effects in Fischer–Tropsch synthesis over high-surface-area graphite supported catalysts
Authors: Eslava José L. , Sun Xiaohui , Gascon Jorge , Kapteijn Freek , Rodríguez-Ramos Inmaculada
Published: February 2017

The effect of ruthenium particle size on Fischer–Tropsch synthesis has been studied at 513 K, H2/CO = 2 and 15 bar.
Facile electrochemical preparation of self-supported porous Ni–Mo alloy microsphere films as efficient bifunctional electrocatalysts for water splitting
Authors: Gao M. Y. , Yang C. , Zhang Q. B. , Zeng J. R. , Li X. T. , Hua Y. X. , Xu C. Y. , Dong P.
Published: February 2017

Self-supported porous Ni–Mo alloy microsphere (Ni–Mo MS) films are fabricated in ethaline via a facile, one-step electrodeposition approach, which can act as highly efficient and durable bifunctional catalysts for both the HER and OER in 1.0 M KOH.
Long term stable deep red light-emitting electrochemical cells based on an emissive, rigid cationic Ir(iii) complex
Authors: Namanga Jude E. , Gerlitzki Niels , Mallick Bert , Mudring Anja-Verena
Published: February 2017

Lifetime improvement of red light emitting iTMC-LECs through ligand design.
“Activography”: a novel, versatile and easily adaptable method for monitoring enzymatic activities in situ
Authors: Pampalakis G. , Zingkou E. , Vekrellis K. , Sotiropoulou G.
Published: February 2017

We developed activography to map enzymatic activities on tissue sections using activity-based probes.
Raman spectra of single walled carbon nanotubes at high temperatures: pretreating samples in a nitrogen atmosphere improves their thermal stability in air
Authors: Molina-Duarte J. , Espinosa-Vega L. I. , Rodríguez A. G. , Guirado-López R. A.
Published: February 2017

We present a combined experimental and theoretical study dedicated to analyzing the structural stability and chemical reactivity of single walled carbon nanotubes (SWCNTs) in the presence of air and nitrogen atmospheres in the temperature interval of 300–1000 K.
Defects in crystalline PVDF: a density functional theory-density functional tight binding study
Authors: Arabnejad Saeid , Yamashita Koichi , Manzhos Sergei
Published: February 2017

We present a comparative density functional theory (DFT) and density functional tight binding (DFTB) study of structures, energetics, vibrational properties as well as electronic structures of the four crystalline phases of polyvinylidene fluoride (PVDF) with different types of defects.
Phthalocyanine supported dinuclear LnIIIcomplexes: the solvent-induced change of magnetic properties in dysprosium(iii) analogues
Authors: Ge Jing-Yuan , Wang Hai-Ying , Li Jing , Xie Jia-Ze , Song You , Zuo Jing-Lin
Published: February 2017

Three phthalocyanine-supported dinuclear LnIIIcomplexes were obtained and characterized. The DyIIIanalogue exhibits reversible solvent dependent single-molecule magnetic properties between a single relaxation and a dual relaxation process.
Reactive oxygen species formed in aqueous mixtures of secondary organic aerosols and mineral dust influencing cloud chemistry and public health in the Anthropocene
Authors: Tong Haijie , Lakey Pascale S. J. , Arangio Andrea M. , Socorro Joanna , Kampf Christopher J. , Berkemeier Thomas , Brune William H. , Pöschl Ulrich , Shiraiwa Manabu
Published: February 2017

Mineral dust and secondary organic aerosols (SOA) account for a major fraction of atmospheric particulate matter, affecting climate, air quality and public health. How mineral dust interacts with SOA to influence cloud chemistry and public health, however, is not well understood. Here, we investigated the formation of reactive oxygen species (ROS), which are key species of atmospheric and physiological chemistry, in aqueous mixtures of SOA and mineral dust by applying electron paramagnetic resonance (EPR) spectrometry in combination with a spin-trapping technique, liquid chromatography-tandem mass spectrometry (LC-MS/MS), and a kinetic model. We found that substantial amounts of ROS including OH, superoxide as well as carbon- and oxygen-centred organic radicals can be formed in aqueous mixtures of isoprene, α-pinene, naphthalene SOA and various kinds of mineral dust (ripidolite, montmorillonite, kaolinite, palygorskite, and Saharan dust). The molar yields of total radicals were ∼0.02–0.5% at 295 K, which showed higher values at 310 K, upon 254 nm UV exposure, and under low pH (<3) conditions. ROS formation can be explained by the decomposition of organic hydroperoxides, which are a prominent fraction of SOA, through interactions with water and Fenton-like reactions with dissolved transition metal ions. Our findings imply that the chemical reactivity and aging of SOA particles can be enhanced upon interaction with mineral dust in deliquesced particles or cloud/fog droplets. SOA decomposition could be comparably important to the classical Fenton reaction of H2O2 with Fe2+ and that SOA can be the main source of OH radicals in aqueous droplets at low concentrations of H2O2 and Fe2+. In the human respiratory tract, the inhalation and deposition of SOA and mineral dust can also lead to the release of ROS, which may contribute to oxidative stress and play an important role in the adverse health effects of atmospheric aerosols in the Anthropocene.
Overcoming spectral overlap via inductively coupled plasma-tandem mass spectrometry (ICP-MS/MS). A tutorial review
Authors: Bolea-Fernandez Eduardo , Balcaen Lieve , Resano Martín , Vanhaecke Frank
Published: February 2017

This work reviews the operating principles of ICP-tandem mass spectrometry (ICP-MS/MS) and the key applications reported on since the introduction of the technique in 2012.
Wettability of graphene nanoribbons films with different surface density
Authors: Zhang Jian , Deng Ya , Nshimiyimana Jean Pierre , Hou Gu , Chi Xiannian , Hu Xiao , Zhang Zongzhi , Wu Pei , Liu Siyu , Chu Weiguo , Sun Lianfeng
Published: February 2017

This work investigated the dependence of wettability on the surface density of graphene nanoribbons prepared by unzipping SWNTs.
NiCo2O4@rGO hybrid nanostructures on Ni foam as high-performance supercapacitor electrodes
Authors: Zhang Cheng , Geng Xinpei , Tang Shaolong , Deng Mingsen , Du Youwei
Published: February 2017

Pseudocapacitors store energy on/near the surface of electrode materials through redox reactions, whose capacitive activity thus depends on the electronic states of the surface and interface, and electronic conductivity of electrode materials.
Human DPSCs fabricate vascularized woven bone tissue: a new tool in bone tissue engineering
Authors: Paino Francesca , La Noce Marcella , Giuliani Alessandra , De Rosa Alfredo , Mazzoni Serena , Laino Luigi , Amler Evzen , Papaccio Gianpaolo , Desiderio Vincenzo , Tirino Virginia
Published: February 2017

Human dental pulp stem cells (hDPSCs) are mesenchymal stem cells that have been successfully used in human bone tissue engineering. To establish whether these cells can lead to a bone tissue ready to be grafted, we checked DPSCs for their osteogenic and angiogenic differentiation capabilities with the specific aim of obtaining a new tool for bone transplantation. Therefore, hDPSCs were specifically selected from the stromal–vascular dental pulp fraction, using appropriate markers, and cultured. Growth curves, expression of bone-related markers, calcification and angiogenesis as well as an in vivo transplantation assay were performed. We found that hDPSCs proliferate, differentiate into osteoblasts and express high levels of angiogenic genes, such as vascular endothelial growth factor and platelet-derived growth factor A. Human DPSCs, after 40 days of culture, give rise to a 3D structure resembling a woven fibrous bone. These woven bone (WB) samples were analysed using classic histology and synchrotron-based, X-ray phase-contrast microtomography and holotomography. WB showed histological and attractive physical qualities of bone with few areas of mineralization and neovessels. Such WB, when transplanted into rats, was remodelled into vascularized bone tissue. Taken together, our data lead to the assumption that WB samples, fabricated by DPSCs, constitute a noteworthy tool and do not need the use of scaffolds, and therefore they are ready for customized regeneration.
Postoperative Evaluation of Patient Satisfaction and Tingling Sensation after Replantation Surgery without Nerve Repair for Complete Digital Amputation
Authors: Takeuchi Hisataka , Ikeguchi Ryosuke , Watanabe Mutsumi , Yasuda Tadashi , Matsuda Shuichi
Published: February 2017

Background When performing replantation surgery for complete fingertip amputation, we do not perform digital nerve repair. We hypothesized that this method would not decrease patient satisfaction.

Methods Between July 2011 and August 2013, we performed replantation surgery for 21 complete digital amputations in 18 patients. Digital nerves were not repaired for fingertip amputations. For proximal to distal interphalangeal joint amputations (proximal amputation), however, we repaired as many digital nerves as possible. We followed 17 replanted fingers in 14 patients (fingertip, 9 fingers in 9 patients; proximal, 8 fingers in 5 patients) for > 1 year, performing retrospective evaluation of subjective outcomes via telephone surveys. Patient satisfaction and fingertip tactile sensation scores (FTSS) were rated on scales of 0 to 10; unpleasant sensations (paresthesia or dysesthesia) were also surveyed.

Results Mean patient satisfaction was significantly greater in the fingertip-amputation group than in the proximal-amputation group (9.4 and 7.6, respectively), although mean FTSS did not show significant difference (6.0 and 3.6, respectively). Patients with proximal amputations had dysesthesia in three fingers, paresthesia in one finger, and no numbness in four fingers, whereas patients with fingertip amputations had dysesthesia in three fingers, paresthesia in four fingers, and no numbness in two fingers. Patients with fingertip amputation had significantly more unpleasant sensation than those with proximal amputations.

Conclusion Although fingertip replantation without digital nerve repair causes postoperative tingling, it results in good patient satisfaction.
Universal 2 Wrist Arthroplasty in Rheumatoid Arthritis
Authors: Munz Giovanni , Guidi Giulia , Ceruso Massimo , Pfanner Sandra
Published: February 2017

Purpose The aim of this study was to evaluate the mid- to long-term outcomes and complications in patients affected by rheumatic diseases treated with the Universal 2 (U2) total wrist arthroplasty (TWA).

Methods We reviewed, in a retrospective, noncontrolled cohort study, 22 patients affected by rheumatoid arthritis (RA), who underwent U2 total wrist replacement between March 2003 and January 2014 for the treatment of 23 rheumatoid wrists with the aim of obtaining the remission of pain and a range of motion (ROM) useful for daily activities, according to the patients' demands, as an alternative to total wrist arthrodesis. The cohort of patients included 20 females and 2 males, with a mean age of 54.9 years. Residual pain, preoperative ROM, postoperative ROM increases, grip strength, radiographic changes, long-term complications, and reasons for revision or failures were evaluated.

Results In this study, 22 patients were evaluated at a mean follow-up of 82.3 months (range: 2–12 years). All patients had good or complete pain relief, the mean visual analogue scale pain score was 0.82. The mean grip strength improved and postoperatively was 11 kg (Jamar). The mean total ROM of flexion–extension was 72.3 degrees; radial–ulnar deviation 24.9 degrees. The mean QuickDASH score of 49 and patient rate wrist/hand evaluation of 41.7 a revision surgical procedure in six cases (26%): in two cases, a carpal component revision procedure and in four cases, total implant failures requiring either conversion to a Swanson spacer or wrist joint fusion.

Conclusion TWA provides pain relief, preserves motion, and improves function in severe degenerative RA. Our results at a mid- to long-term follow-up with the U2 prosthesis were encouraging and represent, when indicated, a valid alternative to fusion which is less appealing for RA patients.

Level of Evidence Level of evidence is therapeutic IV.
Small scale turbulence and the finite Reynolds number effect
Authors: Antonia R. A. , Djenidi L. , Danaila L. , Tang S. L.
Published: February 2017

Failure to recognize the importance of the finite Reynolds number effect on small scale turbulence has, by and large, resulted in misguided assessments of the first two hypotheses of Kolmogorov [“Local structure of turbulence in an incompressible fluid for very large Reynolds numbers,” Dokl. Akad. Nauk SSSR 30, 299–303 (1941)] or K41 as well as his third hypothesis [A. N. Kolmogorov, “A refinement of previous hypotheses concerning the local structure of turbulence in a viscous incompressible fluid at high Reynolds number,” J. Fluid Mech. 13, 82–85 (1962)] or K62. As formulated by Kolmogorov, all three hypotheses require local isotropy to be valid and the Reynolds number to be very large. In the context of the first hypothesis, there is now strong evidence to suggest that this requirement can be significantly relaxed, at least for dissipative scales and relatively low order moments of the velocity structure function. As the scale increases, the effect of the large scale motion on these moments becomes more prominent and higher Reynolds numbers are needed before K41 and K62 can be tested unambiguously.
Self-similarity criteria in anisotropic flows with viscosity stratification
Authors: Danaila L. , Voivenel L. , Varea E.
Published: February 2017

Variable-viscosity flows exhibit a faster trend towards a fully developed turbulent state since fluctuations are produced at a larger amount. A legitimate expectation is that self-similarity to be tenable earlier than in classical, single-viscosity flows. The question which begs to be answered is: which are the self-similarity criteria for variable-viscosity, density-matched, flows? The similarity assumption, i.e., all scales evolve in a similar fashion in space/time, is applied to the transport equation for one- and two-point statistics of anisotropic, variable-viscosity flows. It is shown that the similarity assumption is valid for regions of the flow where viscosity (mean values and the fluctuations root-mean-square) is uniform. In regions where viscosity gradients are important, such as the sheared region and jet boundaries, similarity is not tenable. Our claims are applicable to any decaying flow, isotropic or anisotropic. Support is provided by experimental data obtained in the near field region of a jet issuing into a more viscous environment. The viscosity ratio is 3.5.
The logarithmic and power law behaviors of the accelerating, turbulent thermal boundary layer
Authors: Castillo Luciano , Hussain Fazle
Published: February 2017

Direct numerical simulation of spatially evolving thermal turbulent boundary layers with strong favorable pressure gradient (FPG) shows that the thermal fluctuation intensity, θ′+ and the Reynolds shear stress, u′v′¯+ exhibit a logarithmic behavior spanning the meso-layer (e.g., 50≤y+≤170). However, the mean thermal profile is not logarithmic even in the zero pressure gradient (ZPG) region; instead, it follows a power law. The maxima of u′2¯+ and v′θ′¯+ change little with the strength of acceleration, while v′+, w′+, and u′v′¯+ continue to decay in the flow direction. Furthermore, θ′+ and u′θ′¯+ surprisingly experience changes from constants in ZPG to sharp rises in the FPG region. Such behavior appears to be due to squashing of the streaks which decreases the streak flank angle below the critical value for “transient growth” generation of streamwise vortices, shutting down production [W. Schoppa and F. Hussain, “Coherent structure generation near-wall turbulence,” J. Fluid Mech. 453, 57–108 (2002)]. The streamwise vortices near the wall, although shrink because of stretching, simultaneously, also become weaker as the structures are progressively pushed farther down to the more viscous region near the wall. While the vortical structures decay rapidly in accelerating flows, the thermal field does not—nullifying the myth that both the thermal and velocity fields are similar.
New Products
Authors: Mandelis Andreas
Published: February 2017

In order to supplement manufacturers’ information, this Department will welcome the submission by our readers of brief communications reporting measurements on the physical properties of materials which supersede earlier data or suggest new research applications.
Water dissociation on Ni(100), Ni(110), and Ni(111) surfaces: Reaction path approach to mode selectivity
Authors: Seenivasan H. , Jackson Bret , Tiwari Ashwani K.
Published: February 2017

A comparative study of mode-selectivity of water dissociation on Ni(100), Ni(110), and Ni(111) surfaces is performed at the same level of theory using a fully quantum approach based on the reaction path Hamiltonian. Calculations show that the barrier to water dissociation on the Ni(110) surface is significantly lower compared to its close-packed counterparts. Transition states for this reaction on all three surfaces involve the elongation of one of the O–H bonds. A significant decrease in the symmetric stretching and bending mode frequencies near the transition state is observed in all three cases and in the vibrational adiabatic approximation, excitation of these softened modes results in a significant enhancement in reactivity. Inclusion of non-adiabatic couplings between modes results in the asymmetric stretching mode showing a similar enhancement of reactivity as the symmetric stretching mode. Dissociation probabilities calculated at a surface temperature of 300 K showed higher reactivity at lower collision energies compared to that of the static surface case, underlining the importance of lattice motion in enhancing reactivity. Mode selective behavior is similar on all the surfaces. Molecules with one-quantum of vibrational excitation in the symmetric stretch, at lower energies (up to ∼0.45 eV), are more reactive on Ni(110) than the Ni(100) and Ni(111) surfaces. However, the dissociation probabilities approach saturation on all the surfaces at higher incident energy values. Overall, Ni(110) is found to be highly reactive toward water dissociation among the low-index nickel surfaces owing to a low reaction barrier resulting from the openness and corrugation of the surface. These results show that the mode-selective behavior does not vary with different crystal facets of Ni qualitatively, but there is a significant quantitative effect.
Multicluster oscillation death and chimeralike states in globally coupled Josephson Junctions
Authors: Mishra Arindam , Saha Suman , Roy Prodyot K. , Kapitaniak Tomasz , Dana Syamal K.
Published: February 2017

We observe the multiclustered oscillation death and chimeralike states in an array of Josephson junctions under a combination of self-repulsive and cross-attractive mean-field interaction when each isolated junction is in a bistable state, a coexisting fixed point and an oscillatory state. We locate the parameter landscape of the multiclustered oscillation death and chimeralike states. Alternatively, a purely repulsive mean-field interaction in an array of all oscillatory junctions produces chimeralike states with signatures of metastability in the incoherent subpopulation of junctions.