bluuebunny/crossref_metadata_2025_split huggingface dataset:
Role of surface termination in forming type-II photocatalyst heterojunctions: the case of TiO2/BiVO4
Authors: Di Liberto Giovanni , Tosoni Sergio , Pacchioni Gianfranco 
Published: October 2020

Abstract
In this work we investigate TiO2 and BiVO4 nanostructures by means of density functional theory (DFT) calculations, to provide an estimate of the band alignment in TiO2/BiVO4 interfaces, highly active in photo-electrochemistry and photocatalytic water splitting. Calculations were carried out with both DFT range separated and self-consistent dielectric dependent hybrid functionals (HSE06 and PBE0DD). The impact of systems’ size has been investigated. The converged electronic levels of TiO2 and BiVO4 surfaces have been used to predict the band alignment in TiO2/BiVO4 heterostructures. Results indicated that when TiO2 (101) surface is matched with BiVO4 (110), a type-II alignment is obtained, where the band edges of BiVO4 are higher in energy that those of TiO2. This picture is favorable for charge-carriers separation upon photoexcitation, where electrons move toward TiO2 and holes toward BiVO4. On the contrary, if TiO2 (101) is interfaced to BiVO4 (010) the offset between the band edges is negligible, thus reducing the driving force toward separation of charge carriers. These results rationalize the dependence on the facet’s exposure of the observed photocatalytic performances of TiO2/BiVO4 composites, where the TiO2 (101)/BiVO4 (110) interface outperforms the TiO2 (101)/BiVO4 (010) one.
Modification of the photoconducting properties of ZnO thin films via low-temperature annealing and air exposure
Authors: Bridoux G , Ruano G D , Ferreyra J M , Villafuerte M 
Published: October 2020

Abstract
A simple thermal annealing at 150 °C followed by exposure to air ambient conditions in epitaxial ZnO thin films produces a photoconductivity enhancement and a reduction of the energy gap. The first effect is related to a release of carriers from bulk traps while the second is caused by a gradual adsorption of species on the film surface which increases the band bending, as x-ray photoemission spectroscopy (XPS) shows. An observed drift of the photoconductivity and the energy gap over the days is connected to this adsorption kinetics. These findings have a potential application in ZnO based optoelectronic devices.
Raman spectrum of layered tilkerodeite (Pd2HgSe3) topological insulator: the palladium analogue of jacutingaite (Pt2HgSe3)
Authors: Longuinhos R , Vymazalová A , Cabral A R , Ribeiro-Soares J 
Published: October 2020

Abstract
The layered mineral tilkerodeite (Pd2HgSe3), the palladium analogue of jacutingaite (Pt2HgSe3), is a promising quantum spin hall insulator for low-power nanospintronics. In this context, a fast and reliable assessment of its structure is key for exploring fundamental properties and architecture of new Pd2HgSe3-based devices. Here, we investigate the first-order Raman spectrum in high-quality, single-crystal bulk tilkerodeite, and analyze the wavenumber relation to its isostructural jacutingaite analogue. By using polarized Raman spectroscopy, symmetry analysis, and first-principles calculations, we assigned all the Raman-active phonons in tilkerodeite, unveiling their wavenumbers, atomic displacement patterns, and symmetries. Our calculations used several exchange–correlation functionals within the density functional perturbation theory framework, reproducing both structure and Raman-active phonon wavenumbers in excellent agreement with experiments. Also, it was found that the influence of the spin–orbit coupling can be neglected in the study of these properties. Finally, we compared the wavenumber and atomic displacement patterns of corresponding Raman-active modes in tilkerodeite and jacutingaite, and found that the effect of the Pd and Pt masses can be neglected on reasoning their wavenumber differences. From this analysis, tilkerodeite is found to be mechanically weaker than jacutingaite against the atomic displacement patterns of these modes. Our findings advance the understanding of the structural properties of a recently discovered layered topological insulator, fundamental to further exploring its electronic, optical, thermal, and mechanical properties, and for device fabrication.
Functionalized carbon microfibers (biomass-derived) ornamented by Bi2S3 nanoparticles: an investigation on their microwave, magnetic, and optical characteristics
Authors: Peymanfar Reza , Moradi Fereshteh 
Published: October 2020

Abstract
The biomass-derived materials emerged as novel, low-cost, green, and light-weight microwave absorbers. On the other hand, the sulfide nanostructures due to narrow band gap demonstrated significant dielectric features. In this research, the pure carbon microfibers were prepared using Erodium cicutarium harvest and they were functionalized by a sonochemistry method. The treated microfibers were coated by Bi2S3 nanoparticles, obtained by a novel modified solvothermal route. X-ray powder diffraction, Fourier transform infrared, diffuse reflection spectroscopy, field emission scanning electron microscopy (FE-SEM), transmission electron microscopy, and vector network analyzer analyses were applied to characterize the features of the prepared structures. The obtained results manifest that the anchoring nanoparticles onto the functionalized microfibers narrowed band gap to 1.35 eV and reinforced polarizability of the nanocomposite, desirable for dielectric attenuation. In this study, the interfacial interactions were modulated using polyacrylonitrile (PAN) and polyvinylidene fluoride. Interestingly, FCMF blended in PAN demonstrated an eye-catching efficient bandwidth as wide as 8.13 GHz (RL > 10 dB) with only 2.00 mm in thickness, whereas it illustrated an outstanding reflection loss of 81.96 at 11.48 GHz with a thickness of 2.50 mm. More significantly, FCMF/Bi2S3/PAN nanocomposite promoted the efficient bandwidth to 3.07 GHz (RL > 20 dB). Noteworthy, all of the samples illustrated total electromagnetic interference shielding effectiveness (SET) more than 15 dB entire the x and ku-band frequency.
Can simultaneous density-determined enhancement of diffusion and cross-diffusion foster boundedness in Keller–Segel type systems involving signal-dependent motilities?
Authors: Winkler Michael 
Published: October 2020

Abstract
The reaction-(cross-)diffusion system

u

t

=
Δ

(

u

m

ϕ

(

v

)

)

,

x
∈
Ω
,

t
>
0
,

v

t

=
Δ
v
−
v
+
u
,

x
∈
Ω
,

t
>
0
,

is considered under no-flux boundary conditions in smoothly bounded convex domains

Ω
⊂

R

n

, where m ⩾ 1 and n ⩾ 2, and where ϕ generalizes the prototype obtained on letting

ϕ

(

v

)

=
a
+
b

(

v
+
d

)

−
α

,
v
>
0
,

with a ⩾ 0, b > 0, d ⩾ 0 and α ⩾ 0. In this framework, it is firstly seen that if

m
>

n

2

,
α
<

n
m
−
2

n
−
2

and

α
<

2

(

m
+
1

)

n
−
2

,

then finite-time blow-up is excluded in the sense that for all suitably regular initial data an associated initial-boundary value problem admits a globally defined weak solution (u, v) with u being locally bounded in

Ω

¯

×

[

0
,
∞

)

. Under the assumption that additionally

α
<

(

n
+
2

)

m
−
n
+
2

2

(

n
−
2

)

,

these solutions are moreover shown to be bounded throughout Ω × (0, ∞) in both components. In view of results known for the case m = 1, this particularly indicates that increasing m in (0.1) goes along with a certain regularizing effect despite the circumstance that thereby both the diffusion and the cross-diffusion mechanisms implicitly contained in (0.1) are simultaneously enhanced.
Exponential law for random maps on compact manifolds*
Authors: Haydn Nicolai T A , Rousseau Jérôme , Yang Fan 
Published: October 2020

Abstract
We consider random dynamical systems on manifolds modelled by a skew product which have certain geometric properties and whose measures satisfy quenched decay of correlations at a sufficient rate. We prove that the limiting distribution for the hitting and return times to geometric balls are both exponential for almost every realisation. We then apply this result to random C
2 maps of the interval, random parabolic maps on the unit interval and random perturbation of partially hyperbolic attractors on a compact Riemannian manifold.
Global dynamics of neoclassical growth model with multiple pairs of variable delays
Authors: Huang Chuangxia , Zhao Xian , Cao Jinde , Alsaadi Fuad E 
Published: October 2020

Abstract
Taking into account the effects of multiple pairs of variable delays, this paper deals with the global dynamics for a class of differential neoclassical growth models. We aim to obtain significant insights into better understanding of how the multiple pairs of variable delays essentially affect the stability and attractiveness of the unique positive equilibrium point. First of all, we prove that every solution of the IVP (initial value problem) with respect to the addressed system exists globally and is positive and bounded above. Secondly, with the help of the methods of fluctuation lemma and analytical techniques, two delay-independent criteria and one delay-dependent criterion on the attractivity of the unique positive equilibrium point are established, which improve and complement some published results. Lastly, two examples with the numerical simulation are arranged to illustrate the effectiveness and feasibility of the obtained theoretical results.
Characterization of noise and background signals in a magnetic particle imaging system
Authors: Paysen Hendrik , Kosch Olaf , Wells James , Loewa Norbert , Wiekhorst Frank 
Published: October 2020

Abstract
Magnetic particle imaging (MPI) is a novel technology, which opens new possibilities for promising biomedical applications. MPI uses magnetic fields to generate a specific response from magnetic nanoparticles (MNPs), to determine their spatial location non-invasively and without using ionizing radiation. One open challenge of MPI is to achieve further improvements in terms of sensitivity to translate the currently preclinical performed research into clinical applications. In this work, we study the noise and background signals of our preclinical MPI system, to identify and characterize disturbing signal contributions. The current limit of detection achieved with our device was determined previously to be

20

ng of iron. Based on the results presented in this work, we describe possible hardware and software improvements and estimate that the limit of detection could be lowered to about 1–2 ng. Additionally, a long-term analysis of the scanner performance over the last 3 years is presented, which proved to be an easy and effective way to monitor possible changes or damage of hardware components. All the presented results were obtained by analysing empty scanner measurements and the presented methodology can easily be adapted for different scanner types, to compare their performances.
Performance comparison of dual-ended readout depth-encoding PET detectors based on BGO and LYSO crystals
Authors: Du Junwei , Ariño-Estrada Gerard , Bai Xiaowei , Cherry Simon R 
Published: October 2020

Abstract
The performance of dual-ended readout depth-encoding positron emission tomography (PET) detectors based on bismuth germanate (BGO) coupled to silicon photomultipliers (SiPM) arrays was measured for the first time and compared to lutetium-yttrium oxyorthosilicate (LYSO)-based detectors using the same readout. The BGO and LYSO crystal arrays all had a crystal pitch of 2.2 mm and were coupled to 8 × 8 SiPM arrays with a matching pitch of 2.2 mm, using a one-to-one coupling configuration. Three types of crystals with Toray reflector were used: polished LYSO, polished BGO, and unpolished BGO, and for two different crystal thicknesses of 20 mm and 30 mm. All the crystal elements in the BGO arrays were clearly resolved in the flood histogram. Better flood histograms were obtained using the LYSO arrays for a selected crystal thickness, and better flood histograms were obtained using the 20 mm thick crystal arrays for a selected crystal type. The average crystal level energy resolution and timing resolution for 20 mm polished LYSO, polished BGO and unpolished BGO crystals at their optimal SiPM bias voltage were 18.6 ± 1.3% and 1.19 ± 0.20 ns, 17.8 ± 0.8% and 4.43 ± 0.47 ns, and 18.0 ± 1.0% and 4.68 ± 1.0 ns, respectively. Depth-of-interaction (DOI) resolution of the 20 mm polished LYSO array was 2.31 ± 0.17 mm and for the 20 mm unpolished BGO array was 3.53 ± 0.25 mm. However, polished BGO arrays with Toray reflector did not provide DOI information. Our key conclusion is that dual-ended readout depth-encoding 20 mm thick unpolished BGO detectors are good candidates for low-activity PET systems with small field-of-view and low timing performance requirements, such as preclinical or compact organ-dedicated PET systems, with the advantage over LYSO of having no background radiation and significantly lower cost.
Runaway electron mitigation with supersonic molecular beam injection (SMBI) in ADITYA-U tokamak
Authors: Banerjee Santanu , Singh K. , Raj H. , Arambhadiya B. , George Siju , Jadeja K.A. , Singh Amit K. , Edappala Praveenlal , Bisai N. , Ghosh J. , Manchanda R. , Chowdhuri M.B. , Tanna R.L. , Raval Jayesh , Nagora U.C. , Paravastu Y. , Raval D. C. , Mishra K. , Chandra D. , Sen A. 
Published: October 2020

Abstract
The generation and subsequent loss of runaway electrons (REs) during the operation sequence in a tokamak is a potent threat to the plasma-facing components and the interface of actively cooled parts. Control and mitigation of REs are of prime importance to the safe operation and machine health of a fusion device. A supersonic molecular beam injection (SMBI) system has been installed in the ADITYA-U tokamak to explore the effects of the high Mach number molecular beam on the REs and ways to mitigate the REs. In the majority of discharges in which SMBI has been injected, a burst in hard x-rays has been observed accompanying the SMBI pulse, indicating significant RE loss. This is followed by a long RE-mitigated phase in the discharge. The most plausible explanation of the mitigation of REs is minor disruption caused by SMBI. This in turn triggers field line stochastization and subsequent rapid RE loss. Finally, this leads to reorganization of the flux surfaces, resulting in bigger islands with the potential of trapping any surviving RE fraction.
Production of magnetite nanoparticles from Ethiopian iron ore using solvent extraction and studying parameters that affect crystallite size
Authors: Sebehanie Kebede Gamo , del Rosario Alberto Velázquez , Ali Abubeker Yimam , Femi Olu Emmanuel 
Published: October 2020

Abstract
Crystallite size is one of the fundamental factors controlling the magnetic property of magnetic nanoparticles. In this study, magnetite nanoparticles were produced from Ethiopian iron ore and the effect of solvent extraction parameters on the crystallite size were investigated by considering classical nucleation theory. First, the iron ore was crushed and unwanted gangues were discarded, then followed by further grinding to get a black powder. Finally, the magnetite nanoparticles were produced using solvent extraction and co-precipitation method. For the solvent extraction, tri-butyl phosphate (TBP) and tri-octyl phosphine oxide (TOPO) was used as an extractant, while 2-ethyl-hexanol, and heptanol were used as a modifier and diluent, respectively. The synthesized nanoparticles was characterized using XRD, SEM (EDS), TGA, and FTIR. The results show that leaching temperature and modifier concentration have a significant effect on the crystallite size of the nanoparticles. Comparison of the crystallite size using the Scherrer equation reveals the mean crystallite size of the sample extracted using TBP is smaller than the sample extracted using TOPO.
Effect of the Noninvasive Follicular Thyroid Neoplasm With Papillary-Like Nuclear Features (NIFTP) Nomenclature Revision on Indian Thyroid Fine-Needle Aspiration Practice
Authors: Rana Chanchal , Ramakant Pooja , Goel Divya , Singh Akanksha , Singh KulRanjan , Babu Suresh , Mishra Anand 
Published: October 2020

Abstract

Objectives
To analyze risk of malignancy (ROM) in Bethesda categories (BCs) and the impact of noninvasive follicular thyroid neoplasm with papillary-like nuclear features (NIFTP) reclassification on malignancy risk and surgical outcome.

Methods
In this retrospective study based on fine-needle aspiration samples with histologic follow-up, ROM was analyzed in BCs. Possible cases of NIFTP were reviewed, followed by the analysis of impact of this reclassification on ROM in BCs.

Results
The incidence of NIFTP was 6.9% among excised thyroid nodules and 16.8% among all resected neoplastic lesions. ROM for BCs I to VI was 37.5%, 9.6%, 40.0%, 46.5%, 88.8%, and 96.8%, respectively. Risk of neoplasia was 50.0%, 13.8%, 55.0%, 71.2%, 88.8%, and 96.8% respectively. When NIFTPs were considered nonmalignant lesions, ROM decreased by 6.3%, 4.3%, 20%, 19.1%, 22.5%, and 1.5% in each Bethesda category (I-VI), respectively. Inability to diagnose NIFTP preoperatively led to overtreatment in 16.2%.

Conclusions
Prevalence of NIFTP in Asian countries may be higher than expected. Substantial cases of NIFTP have a benign preoperative cytology; hence, cases of follicular adenoma and adenomatous colloid nodule should be included in the review. NIFTP reclassification has significantly reduced the ROM in indeterminate BCs, suggesting diagnostic lobectomy rather than total thyroidectomy. Countries should establish their own malignancy risk range and parameters.
Against philosophical proofs against common sense
Authors: Doulas Louis , Welchance Evan 
Published: October 2020

Abstract
Many philosophers think that common sense knowledge survives sophisticated philosophical proofs against it. Recently, however, Bryan Frances (‘Philosophical proofs against common sense’ 2021) has advanced a philosophical proof that he thinks common sense cannot survive. Exploiting philosophical paradoxes like the Sorites, Frances attempts to show how common sense leads to paradox and therefore that common sense methodology is unstable. In this paper, we show how Frances’s proof fails and then present Frances with a dilemma.
Daily protein prioritization and long-term nutrient balancing in a dietary generalist, the blue monkey
Authors: Takahashi Maressa Q , Rothman Jessica M , Raubenheimer David , Cords Marina 
Published: October 2020

Abstract
Animals make dietary choices to achieve adequate nutrient intake; however, it is challenging to study such nutritional strategies in wild populations. We explored the nutritional strategy of a generalist social primate, the blue monkey (Cercopithecus mitis). We hypothesized that females balance intake of nutrients, specifically non-protein energy and protein, both on a daily and long-term basis. When balancing was not possible, we expected subjects to prioritize constant protein intake, allowing non-protein energy to vary more. To understand the ecology of nutrient balancing, we examined how habitat use, food availability, diet composition, social dominance rank, and reproductive demand influenced nutrient intake. Over 9 months, we conducted 371 all-day focal follows on 24 subjects in Kakamega Forest, Kenya. Females exhibited short- and long-term nutritional strategies. Daily, they balanced non-protein energy to protein intake but when balancing was impossible, monkeys prioritized protein intake. Longer term, they balanced non-protein energy:protein intake in a 3.8:1 ratio. The ratio related positively to fruit in the diet and negatively to time in near-natural forest, but we found no evidence that it related to food availability, reproductive demand, or dominance rank. Lower-ranked females had broader daily diets, however, which may reflect behavioral feeding strategies to cope with social constraints. Overall, females prioritized daily protein, allowing less variation in protein intake than other aspects such as non-protein energy:protein ratio and non-protein energy intake. The emerging pattern in primates suggests that diverse dietary strategies evolved to allow adherence to a nutrient balance of non-protein energy:protein despite various social and environmental constraints.
Enhancing statistical power in temporal biomarker discovery through representative shapelet mining
Authors: Gumbsch Thomas , Bock Christian , Moor Michael , Rieck Bastian , Borgwardt Karsten 
Published: October 2020

Abstract

Motivation
Temporal biomarker discovery in longitudinal data is based on detecting reoccurring trajectories, the so-called shapelets. The search for shapelets requires considering all subsequences in the data. While the accompanying issue of multiple testing has been mitigated in previous work, the redundancy and overlap of the detected shapelets results in an a priori unbounded number of highly similar and structurally meaningless shapelets. As a consequence, current temporal biomarker discovery methods are impractical and underpowered.

Results
We find that the pre- or post-processing of shapelets does not sufficiently increase the power and practical utility. Consequently, we present a novel method for temporal biomarker discovery: Statistically Significant Submodular Subset Shapelet Mining (S5M) that retrieves short subsequences that are (i) occurring in the data, (ii) are statistically significantly associated with the phenotype and (iii) are of manageable quantity while maximizing structural diversity. Structural diversity is achieved by pruning non-representative shapelets via submodular optimization. This increases the statistical power and utility of S5M compared to state-of-the-art approaches on simulated and real-world datasets. For patients admitted to the intensive care unit (ICU) showing signs of severe organ failure, we find temporal patterns in the sequential organ failure assessment score that are associated with in-ICU mortality.

Availability and implementation
S5M is an option in the python package of S3M: github.com/BorgwardtLab/S3M.
quicksom: Self-Organizing Maps on GPUs for clustering of molecular dynamics trajectories
Authors: Mallet Vincent , Nilges Michael , Bouvier Guillaume 
Published: October 2020

Abstract

Summary
We implemented the Self-Organizing Maps algorithm running efficiently on GPUs, and also provide several clustering methods of the resulting maps. We provide scripts and a use case to cluster macro-molecular conformations generated by molecular dynamics simulations.

Availability and implementation
The method is available on GitHub and distributed as a pip package.
Inselberg floristics exemplify the coast to inland OCBIL transition in a global biodiversity hotspot
Authors: Hopper Stephen D , Fiedler Peggy L , Yates Colin J 
Published: October 2020

AbstractWe examined the floristics of granitoid inselbergs in the hitherto poorly documented south-eastern region of the Southwest Australian Floristic Region (SWAFR) and adjacent Great Western Woodlands, addressing several hypotheses of OCBIL (old, climatically buffered, infertile landscapes) theory. We found exceptional taxon richness (1550 taxa on 89 inselbergs, with 58 well-sampled inselbergs and 1493 taxa chosen for detailed analyses). Granite inselberg endemism declined towards the arid inland, although taxon richness did not. OCBILs are likely to be found up to 500 km inland, not ~300 km as previously hypothesized. Hybrids were extremely rare on the 58 inselbergs analysed, whereas rare species, including singletons, were abundant. Conversely, exotic weeds were less common than in the whole SWAFR flora (8.2% vs 12.8%). Granite plant communities were distributed in bands parallel to the south coast, approximating the general transition from the Esperance and Boylya Floristic Districts across the SWAFR boundary north into the Arid Zone’s Great Western Woodlands. Positive correlations were found between several plant life forms and inselberg area. There was a decrease from the coast inland for most life forms, except for annual and graminoid herbs that increased in taxa inland. Thus, inselberg floristics exemplify the coast-to-inland OCBIL transition in this global biodiversity hotspot.