bluuebunny/crossref_metadata_2025_split huggingface dataset:
High‐performance printable paper‐like composites derived from plastic flexible film wastes
Authors: Fan Chunying , An Hongli , Du Juan , Luo Yan 
Published: October 2019

AbstractOwing to lack of proper recycling methods, plastic flexible film wastes are usually directly discarded or incinerated, which brings about severe environmental pollution. Therefore, converting plastic wastes into value‐added products has received more and more attention in recent years. In this work, paper‐like composites derived from plastic flexible film wastes were prepared via the thermally induced phase separation method by adding polyethylene‐graft‐maleic anhydride (PE‐g‐MAH) as a compatibilizer and fumed silica as an additive. The resulting paper‐like composites were characterized by SEM and infrared spectroscopy. Other properties such as mechanical properties, thermal properties, whiteness, printability and adsorption performance were also tested in detail. It was found that remarkable enhancements in mechanical, thermal and printable properties of the paper‐like composites were obtained when nano‐SiO2loading was 2.5–3 wt%. Uniformly distributed holes that can endow good printability by providing space for ink or other functional molecules were observed by using SEM. Furthermore, the CIE whiteness value of the resulting composites can reach 91.6%–96.7% on adding nano‐SiO2. Additionally, the paper‐like composites integrating nano‐SiO2and PE‐g‐MAH exhibited good solid ink affinity and high water or oil adsorption capacity. Thus, according to this research, high‐performance printable paper‐like composites used as major components of multifunctional papers can be prepared based on plastic flexible film wastes. © 2019 Society of Chemical Industry
Interspecies Comparison of the Bacterial Response to Allicin Reveals Species‐Specific Defense Strategies
Authors: Wüllner Dominik , Haupt Annika , Prochnow Pascal , Leontiev Roman , Slusarenko Alan J. , Bandow Julia E. 
Published: October 2019

AbstractAllicin, a broad‐spectrum antimicrobial agent from garlic, disrupts thiol and redox homeostasis, proteostasis, and cell membrane integrity. Since medicine demands antimicrobials with so far unexploited mechanisms, allicin is a promising lead structure. While progress is being made in unraveling its mode of action, little is known on bacterial adaptation strategies. Some isolates of Pseudomonas aeruginosa and Escherichia coli withstand exposure to high allicin concentrations due to as yet unknown mechanisms. To elucidate resistance and sensitivity‐conferring cellular processes, the acute proteomic responses of a resistant P. aeruginosa strain and the sensitive species Bacillus subtilis are compared to the published proteomic response of E. coli to allicin treatment. The cellular defense strategies share functional features: proteins involved in translation and maintenance of protein quality, redox homeostasis, and cell envelope modification are upregulated. In both Gram‐negative species, protein synthesis of the majority of proteins is downregulated while the Gram‐positive B. subtilis responded by upregulation of multiple regulons. A comparison of the B. subtilis proteomic response to a library of responses to antibiotic treatment reveals 30 proteins specifically upregulated by allicin. Upregulated oxidative stress proteins are shared with nitrofurantoin and diamide. Microscopy‐based assays further indicate that in B. subtilis cell wall integrity is impaired.
Reliability of Protein Abundance and Synthesis Measurements in Human Skeletal Muscle
Authors: Srisawat Kanchana , Hesketh Katie , Cocks Matt , Strauss Juliette , Edwards Ben J. , Lisboa Paulo J. , Shepherd Sam , Burniston Jatin G. 
Published: October 2019

AbstractThe repeatability of dynamic proteome profiling (DPP), which is a novel technique for measuring the relative abundance (ABD) and fractional synthesis rate (FSR) of proteins in humans, is investigated. LC–MS analysis is performed on muscle samples taken from male participants (n = 4) that consumed 4 × 50 mL doses of deuterium oxide (2H2O) per day for 14 days. ABD is measured by label‐free quantitation and FSR is calculated from time‐dependent changes in peptide mass isotopomer abundances. One‐hundred one proteins have at least one unique peptide and are used in the assessment of protein ABD. Fifty‐four of these proteins meet more stringent criteria and are used in the assessment of FSR data. The median (M), lower‐, (Q1) and upper‐quartile (Q3) values for protein FSR (%/d) are M = 1.63, Q1 = 1.07, and Q3 = 3.24, respectively. The technical CV of ABD data has a median value of 3.6% (Q1 1.7% to Q3 6.7%), whereas the median CV of FSR data is 10.1% (Q1 3.5% to Q3 16.5%). These values compare favorably against other assessments of technical repeatability of proteomics data, which often set a CV of 20% as the upper bound of acceptability.
motifeR: An Integrated Web Software for Identification and Visualization of Protein Posttranslational Modification Motifs
Authors: Wang Shisheng , Cai Yue , Cheng Jingqiu , Li Wenxue , Liu Yansheng , Yang Hao 
Published: October 2019

AbstractWith an exponential growth in applications identifying protein post‐translational modifications via mass spectrometry, discovery and presentation of motifs surrounding those modification sites have become increasingly desirable. Despite a few tools being designed, there is still a scarcity of effective and polyfunctional software for such analysis and illustrations. In this study, a versatile and user‐friendly web tool is developed, motifeR, for extracting and visualizing statistically significant motifs from large datasets. Particularly, several functions are also integrated for processing multi‐modification sites enrichment. Public datasets are applied to test their usability, indicating that some concurrent modification sites may form motifs and that peptides with low location probability may be not identified randomly and can be included to support motif discovery. In addition, for human phosphoproteomics datasets, the characterization of differential kinase signaling networks can be estimated and modeled by combining kinase‐substrate relations based on the NetworKIN database as an optional feature for users. The motifeR toolkit can be conveniently operated by any scientific community or individuals, even those without any bioinformatics background and is freely available at https://www.omicsolution.org/wukong/motifeR.
Wavelet isolation of meridionally moving geopotential height perturbations near the subtropics of eastern Africa and their relationship with the Madden–Julian Oscillation
Authors: Gahtan Jennifer , Roundy Paul E. 
Published: October 2019

AbstractPrior to the onset of convection over the western Indian Ocean for many Madden–Julian Oscillation (MJO) events, equatorward‐propagating upper tropospheric negative geopotential height anomalies are observed along the east coast of Africa. To identify these signals independently from the MJO, we calculate partial meridional‐temporal wavelet transforms averaged between 35 and 45°E and centred in the subtropics. During times when the amplitudes of MJO indices are strong and leading up to convective onset over the western Indian Ocean, increased wavelet power relative to the mean state is observed in the equatorward direction at intraseasonal time‐scales from both hemispheres. Regressions against groups of equatorward intraseasonal wavelet transform time series centred on negative anomalies in the subtropics show extratropical Rossby wave trains extending to the west across the Atlantic similar to signals previously observed leading up to the onset of Indian basin convection in composite MJO events. Compared to globally averaged mean‐state power spectra in the subtropics, increased equatorward propagation of upper tropospheric geopotential height anomalies occurs regionally near eastern Africa on intraseasonal time‐scales, which suggests that local mean‐state conditions, in addition to the MJO, may influence meridional wave propagation. Since these anomalies may in turn influence the onset of MJO convection over the western Indian Ocean and have higher local power, mean‐state conditions near the subtropics of eastern Africa may change the timing of the MJO.
Exploring odd‐even effects of simple oligomer‐like DRCNnT series: a study based on density functional theory/time‐dependent density functional theory calculations
Authors: Wang Wenjing , Zheng Shaohui 
Published: October 2019

AbstractOdd‐even effects of short‐circuit current density and power conversion efficiency (PCE) are an interesting phenomenon in some organic solar cells. Although some explanations have been given, why they behave in such a way is still an open question. In the present work, we investigate a set of acceptor‐donor‐acceptor simple oligomer‐like small molecules, named the DRCNnT (n = 5‐9) series, to give an insight into this phenomenon because the solar cells based on them have high PCE (up to 10.08%) and show strong odd‐even effects in experiments. By modeling the DRCNnT series and using density functional theory, we have studied the ground‐state electronic structures of the DRCNnT (n = 5‐9) series in condensed phase. The calculated results reproduce the experimental trends well. Furthermore, we find that the exciton‐binding energies of the DRCNnT series may be one of the key parameters to explain this phenomenon because they also show odd‐even effects. In addition, by studying the effects of alkyl branch and terminal group on odd‐even effects of dipole moment, we find that eliminating one or two alkyl branches does not break the odd‐even effects of dipole moments, but eliminating one or two terminal groups does. Finally, we conclude that removing one alkyl branch close to the terminal group of DRCN5T can decrease highest occupied molecular orbital (HOMO) energy (thus increasing open circuit voltage) and increase dipole moment (thus enhancing charge separation and short‐circuit current). This could be a new and simple method to increase the PCE of DRCN5T‐based solar cells.
Cover Image, Volume 9, Issue 6
Authors: Duran‐Frigola Miquel , Fernández‐Torras Adrià , Bertoni Martino , Aloy Patrick 
Published: October 2019

The cover image is based on the Advanced Review Formatting biological big data for modern machine learning in drug discovery, by Miquel Duran‐Frigola, Adrià Fernández‐Torras, Martino Bertoni and Patrick Aloy. https://doi.org/10.1002/wcms.1408
image
Hydrodynamics of massless integrable RG flows and a non-equilibrium c-theorem
Authors: Horváth D. X. 
Published: October 2019

Abstract

We study Euler scale hydrodynamics of massless integrable quantum field theories interpolating between two non-trivial renormalisation group fixed points after inhomogeneous quantum quenches. Using a partitioning protocol with left and right initial thermal states and the recently developed framework of generalised hydrodynamics, we focus on current and density profiles for the energy and momentum as a function of ξ = x/t, where both x and t are sent to infinity. Studying the first few members of the A

n
and D

n
massless flows we carry out a systematic treatment of these series and generalise our results to other unitary massless models.
In our analysis we find that the profiles exhibit extended plateaux and that non-trivial bounds exist for the energy and momentum densities and currents in the non-equilibrium stationary state, i.e. when ξ = 0. To quantify the magnitude of currents and densities, dynamical central charges are defined and it is shown that the dynamical central charge for the energy current satisfies a certain monotonicity property. We discuss the connection of the Landauer-Büttiker formalism of transport with our results and show that this picture can account for some of the bounds for the currents and for the monotonicity of the dynamical central charge. These properties are shown to be present not only in massless flows but also in the massive sinh-Gordon model suggesting their general validity and the correctness of the Landauer-Büttiker interpretation of transport in integrable field theories. Our results thus imply the existence of a non-equilibrium c-theorem as well, at least in integrable models. Finally we also study the interesting low energy behaviour of the A2 model that corresponds to the massless flow from the tricritical to the critical Ising field theory.
Global regularity and convergence to equilibrium of reaction–diffusion systems with nonlinear diffusion
Authors: Fellner Klemens , Latos Evangelos , Tang Bao Quoc 
Published: October 2019

Abstract
We study the boundedness and convergence to equilibrium of weak solutions to reaction–diffusion systems with nonlinear diffusion. The nonlinear diffusion is of porous medium type, and the nonlinear reaction terms are assumed to grow polynomially and to dissipate (or conserve) the total mass. By utilising duality estimates, the dissipation of the total mass and the smoothing effect of the porous medium equation, we prove that if the exponents of the nonlinear diffusion terms are high enough, then weak solutions are bounded, locally Hölder continuous and their $$L^{\infty }(\Omega )$$

L
∞

(
Ω
)

-norm grows in time at most polynomially. In order to show convergence to equilibrium, we consider a specific class of nonlinear reaction–diffusion models, which describe a single reversible reaction with arbitrarily many chemical substances. By exploiting a generalised logarithmic Sobolev inequality, an indirect diffusion effect and the polynomial in time growth of the $$L^{\infty }(\Omega )$$

L
∞

(
Ω
)

-norm, we show an entropy–entropy production inequality which implies exponential convergence to equilibrium in $$L^p(\Omega )$$

L
p

(
Ω
)

-norm, for any $$1\le p < \infty $$

1
≤
p
<
∞

, with explicit rates and constants.
Impact of network constraining on the terrestrial reference frame realization based on SLR observations to LAGEOS
Authors: Zajdel R. , Sośnica K. , Drożdżewski M. , Bury G. , Strugarek D. 
Published: October 2019

Abstract
The Satellite Laser Ranging (SLR) network struggles with some major limitations including an inhomogeneous global station distribution and uneven performance of SLR sites. The International Laser Ranging Service (ILRS) prepares the time-variable list of the most well-performing stations denoted as ‘core sites’ and recommends using them for the terrestrial reference frame (TRF) datum realization in SLR processing. Here, we check how different approaches of the TRF datum realization using minimum constraint conditions (MCs) and the selection of datum-defining stations affect the estimated SLR station coordinates, the terrestrial scale, Earth rotation parameters (ERPs), and geocenter coordinates (GCC). The analyses are based on the processing of the SLR observations to LAGEOS-1/-2 collected between 2010 and 2018. We show that it is essential to reject outlying stations from the reference frame realization to maintain a high quality of SLR-based products. We test station selection criteria based on the Helmert transformation of the network w.r.t. the a priori SLRF2014 coordinates to reject misbehaving stations from the list of datum-defining stations. The 25 mm threshold is optimal to eliminate the epoch-wise temporal deviations and to provide a proper number of datum-defining stations. According to the station selection algorithm, we found that some of the stations that are not included in the list of ILRS core sites could be taken into account as potential core stations in the TRF datum realization. When using a robust station selection for the datum definition, we can improve the station coordinate repeatability by 8%, 4%, and 6%, for the North, East and Up components, respectively. The global distribution of datum-defining stations is also crucial for the estimation of ERPs and GCC. When excluding just two core stations from the SLR network, the amplitude of the annual signal in the GCC estimates is changed by up to 2.2 mm, and the noise of the estimated pole coordinates is substantially increased.
TYRP1 mRNA level is stable and MITF-M-independent in drug-naïve, vemurafenib- and trametinib-resistant BRAFV600E melanoma cells
Authors: Hartman Mariusz L. , Czyz Malgorzata 
Published: October 2019

AbstractTYRP1 mRNA is of interest due to its potential non-coding role as a sponge sequestering tumor-suppressive miRs in melanoma. To our knowledge, there is no report on changes inTYRP1expression in melanomas after development of resistance to targeted therapies. We used patient-derived drug-naïve RASQ61Rand BRAFV600Emelanoma cell lines. In BRAFV600Emelanoma cells, resistance to vemurafenib and trametinib was developed. A time-lapse fluorescence microscope was used to rate proliferation, qRT-PCR and Western blotting were used to assessTYRP1expression and MITF-M level and activity. A high TYRP1 protein level in RASQ61Rcells corresponded with high TYRP1 mRNA level, whereas undetectable TYRP1 protein in BRAFV600Ecells was accompanied by medium mRNA level, also in cells carrying NF1R135Wvariant in addition.TYRP1expression was MITF-M-independent, since similar transcript status was found in MITF-Mhighand MITF-Mlowcells. For the first time, we showed thatTYRP1expression remained unaltered in melanoma cells that became resistant to vemurafenib or trametinib, including those cells losing MITF-M. Also drug discontinuation in resistant cells did not substantially affectTYRP1expression. To verify in vitro results, publicly available microarray data were analyzed. TYRP1 transcript levels stay unaltered in the majority of paired melanoma samples from patients before treatment and after relapse caused by resistance to targeted therapies. As TYRP1 mRNA level remains unaltered in melanoma cells during development of resistance to vemurafenib or trametinib, therapies developed to terminate a sponge activity of TYRP1 transcript may be extended to patients that relapse with resistant disease.
Quaternion-Kähler manifolds near maximal fixed point sets of $$S^1$$-symmetries
Authors: Borówka Aleksandra 
Published: October 2019

Abstract
Using quaternionic Feix–Kaledin construction, we provide a local classification of quaternion-Kähler metrics with a rotating $$S^1$$S1-symmetry with the fixed point set submanifold S of maximal possible dimension. For any real-analytic Kähler manifold S equipped with a line bundle with a real-analytic unitary connection with curvature proportional to the Kähler form, we explicitly construct a holomorphic contact distribution on the twistor space obtained by the quaternionic Feix–Kaledin construction from these data. Conversely, we show that quaternion-Kähler metrics with a rotating $$S^1$$S1-symmetry induce on the fixed point set of maximal dimension a Kähler metric together with a unitary connection on a holomorphic line bundle with curvature proportional to the Kähler form and the two constructions are inverse to each other. Moreover, we study the case when S is compact, showing that in this case the quaternion-Kähler geometry is determined by the Kähler metric on the fixed point set (of maximal possible dimension) and by the contact line bundle along the corresponding submanifold on the twistor space. Finally, we relate the results to the c-map construction showing that the family of quaternion-Kähler manifolds obtained from a fixed Kähler metric on S by varying the line bundle and the hyperkähler manifold obtained by hyperkähler Feix–Kaledin construction from S are related by hyperkähler/quaternion-Kähler correspondence.
Negative emissions and international climate goals—learning from and about mitigation scenarios
Authors: Hilaire Jérôme , Minx Jan C. , Callaghan Max W. , Edmonds Jae , Luderer Gunnar , Nemet Gregory F. , Rogelj Joeri , del Mar Zamora Maria 
Published: October 2019

AbstractFor aiming to keep global warming well-below 2 °C and pursue efforts to limit it to 1.5 °C, as set out in the Paris Agreement, a full-fledged assessment of negative emission technologies (NETs) that remove carbon dioxide from the atmosphere is crucial to inform science-based policy making. With the Paris Agreement in mind, we re-analyse available scenario evidence to understand the roles of NETs in 1.5 °C and 2 °C scenarios and, for the first time, link this to a systematic review of findings in the underlying literature. In line with previous research, we find that keeping warming below 1.5 °C requires a rapid large-scale deployment of NETs, while for 2 °C, we can still limit NET deployment substantially by ratcheting up near-term mitigation ambition. Most recent evidence stresses the importance of future socio-economic conditions in determining the flexibility of NET deployment and suggests opportunities for hedging technology risks by adopting portfolios of NETs. Importantly, our thematic review highlights that there is a much richer set of findings on NETs than commonly reflected upon both in scientific assessments and available reviews. In particular, beyond the common findings on NETs underpinned by dozens of studies around early scale-up, the changing shape of net emission pathways or greater flexibility in the timing of climate policies, there is a suite of “niche and emerging findings”, e.g. around innovation needs and rapid technological change, termination of NETs at the end of the twenty-first century or the impacts of climate change on the effectiveness of NETs that have not been widely appreciated. Future research needs to explore the role of climate damages on NET uptake, better understand the geophysical constraints of NET deployment (e.g. water, geological storage, climate feedbacks), and provide a more systematic assessment of NET portfolios in the context of sustainable development goals.
Heterometallic Copper–Vanadium Compounds: Crystal Structures of Polymers [Cu(im)4(V2O4(mand)2)]n and [Cu(im)4(V2O4((S)-mand)2)]n·2nH2O (im = imidazole, mand = mandelato2−)
Authors: Šimuneková Mária , Schwendt Peter , Gyepes Róbert , Krivosudský Lukáš 
Published: October 2019

Abstract
Two new 1D polymeric heterometallic copper–vanadium compounds were prepared. The polymers are constructed from [Cu(im)4]2+ cations that are coordinated to two terminal oxido ligands of [V2O4(mand)2]2− anions. The stronger coordination in [Cu(im)4V2O4(mand)2]n (1) that contains the racemic mandelato ligand is manifested by a shorter Cu‒O bond distance 2.4095(12) Å, while the weaker interaction in [Cu(im)4(V2O4((S)-mand)2)]n·2nH2O (2) is exhibited by Cu‒O bond distances 2.4547(16) Å and 2.5413(16) Å. The vanadate anion in compound 2 carries only the (S)-enantiomer of the initial mandelic acid and differs from the anion in 1 in parallel cis orientation of the phenyl groups of the mandelato ligand. FT-IR spectroscopy was used for the confirmation of the coordination mode of mandelato ligand. Strong bands corresponding to the vibrations of carboxyl groups can be observed around 1650 and at 1344 cm−1. The stretching vibration of deprotonated hydroxyl group in the mandelato ligand occurs at 1045 and 1065 cm−1 for 1 and 2, respectively. In addition, the very strong, characteristic band corresponding to ν(V=O) vibration can be observed at 931 cm−1 for 1 and 925 cm−1 for 2, as well as in Raman spectrum.

Graphic Abstract
The polymeric structures of two new vanadium-copper heterometallic complexes are constructed from [Cu(imidazole)4]2+ cations that are coordinated to two terminal oxido ligands of [V2O4(mandelato)2]2− anions with different orientation of the phenyl groups depending on the chirality of the mandelato ligand.