bluuebunny/crossref_metadata_2025 huggingface dataset:
Finite Element Study of Periodontal Ligament Properties for a Maxillary Central Incisor and a Mandibular Second Molar Under Percussion Conditions
Authors: Mapar Aboozar , Taheri-Nassaj Nasrin , Shen Jie , Komari Omid , Sheets Cherilyn G. , Earthman James C.
Published: June 2022

Purpose

The quantitative percussion diagnostics (QPD) response of a mandibular second molar and a maxillary central incisor including their supporting ligament/bone structure was simulated using dynamic 3D finite element analysis (FEA). The focus of the work was on the role of the periodontal ligament (PDL) which acts as a damper in the dental structure and dissipates occlusal forces transmitted from the tooth surface to the surrounding bone.

Methods

Several FEA models were developed to examine the effects of mechanical characteristics that have been reported for the PDL. Specifically, the effects of changing the PDL’s quasi-static elastic modulus and Rayleigh damping properties were predicted.

Results

The present FEA simulations indicate that the PDL can significantly reduce forces for both the incisor and the molar compared to when there is no PDL (i.e. ankylosed tooth) as long as the quasi-static elastic modulus of the PDL is among the lowest reported (~ 0.1 MPa). In addition, the FEA simulations for both the incisor and molar with this lower value of the PDL quasi-static elastic modulus are also in reasonably good agreement with experimental percussion data. A simple approximation for partitioning Rayleigh damping properties between the hard and soft tissues was also found to provide reasonable values of overall damping that are consistent with experimental data.

Conclusion

The overall findings indicate that using a quasi-static elastic modulus of approximately 0.1 MPa for the PDL in combination with Rayleigh damping gives realistic predictions of the mechanical response of a tooth under QPD loading conditions.
Points of Interest (POI): a commentary on the state of the art, challenges, and prospects for the future
Authors: Psyllidis Achilleas , Gao Song , Hu Yingjie , Kim Eun-Kyeong , McKenzie Grant , Purves Ross , Yuan May , Andris Clio
Published: June 2022

In this commentary, we describe the current state of the art of points of interest (POIs) as digital, spatial datasets, both in terms of their quality and affordings, and how they are used across research domains. We argue that good spatial coverage and high-quality POI features — especially POI category and temporality information — are key for creating reliable data. We list challenges in POI geolocation and spatial representation, data fidelity, and POI attributes, and address how these challenges may affect the results of geospatial analyses of the built environment for applications in public health, urban planning, sustainable development, mobility, community studies, and sociology. This commentary is intended to shed more light on the importance of POIs both as standalone spatial datasets and as input to geospatial analyses.
Decomposing definiteness: Evidence from Chuj
Authors: Royer Justin
Published: June 2022

This article explores the realization of definiteness in Chuj, an underdocumented Mayan language. I show that Chuj provides support for recent theories that distinguish betweenweakandstrongdefinite descriptions (e.g., Schwarz 2009, 2013; Arkoh and Matthewson 2013; Hanink 2018; Jenks 2018). A set of morphemes called “noun classifiers” contribute a uniqueness presupposition, composing directly with nominals to form weak definites. To form strong definites, I show that two pieces are required: (i) the noun classifier, which again contributes a uniqueness presupposition, and (ii) extra morphology that contributes an anaphoricity presupposition. Chuj strong definites thus provide explicit evidence for a decompositional account of weak and strong definites, as also advocated in Hanink 2018. I then extend this analysis to third person pronouns, which are realized in Chuj with bare classifiers, and which I propose come in two guises depending on their use. On the one hand, based on previous work (Postal 1966, Cooper 1979, Heim 1990), I argue that classifier pronouns can sometimes be E-type pronouns: weak definite determiners which combine with a covert index-introducing predicate. In such cases, classifier pronouns represent a strong definite description. On the other hand, I argue, based on diagnostics established in Bi and Jenks 2019, that Chuj classifier pronouns sometimes arise as a result of NP ellipsis (Elbourne 2001, 2005). In such cases, classifier pronouns reflect a weak definite description.
Inconsistent treatments of the kinetics of Clustered Regularly Interspaced Short Palindromic Repeats (CRISPR) impair assessment of its diagnostic potential
Authors: Santiago Juan G.
Published: June 2022

The scientific and technological advent of Clustered Regularly Interspaced Short Palindromic Repeats (CRISPR) is one of the most exciting developments of the past decade, particularly in the field of gene editing. The technology has two essential components, (1) a guide RNA to match a targeted gene and (2) a CRISPR-associated protein (e.g. Cas 9, Cas12 or Cas13) that acts as an endonuclease to specifically cut DNA. This specificity and reconfigurable nature of CRISPR has also spurred intense academic and commercial interest in the development of CRISPR-based molecular diagnostics. CRISPR Cas12 and Cas13 orthologs are most commonly applied to diagnostics, and these cleave and become activated by DNA and RNA targets, respectively. Despite the intense research interest, the limits of detection (LoDs) and applications of CRISP-based diagnostics remain an open question. A major reason for this is that reports of kinetic rates have been widely inconsistent, and the vast majority of these reports contain gross errors including violations of basic conservation and kinetic rate laws. It is the intent of this Perspective to bring attention to these issues and to identify potential improvements in the manner in which CRISPR kinetic rates and assay LoDs are reported and compared. The CRISPR field would benefit from verifications of self-consistency of data, providing sufficient data for reproduction of experiments, and, in the case of reports of novel assay LoDs, concurrent reporting of the associated kinetic rate constants. The early development of CRISPR-based diagnostics calls for self-reflection and urges us to proceed with caution.
Crystal structure of fulvestrant hydrate (ethyl acetate), C32H47F5O3S(H2O)0.16(C4H8O2)0.025
Authors: Kaduk James A. , Boaz Nicholas C. , Gates-Rector Stacy D. , Gindhart Amy M. , Blanton Thomas N.
Published: June 2022

The crystal structure of fulvestrant hydrate (ethyl acetate) has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. This solvate of fulvestrant crystallizes in space group R3 (#146) with a = 23.39188(16), c = 16.50885(13) Å, V = 7823.08(7) Å3, and Z = 9. The crystal structure is composed of triangular hydrogen-bonded chains of molecules around one of the threefold axes. The fluorinated ends of the molecules cluster around another threefold axis. Voids around a threefold axis occupy 8.1% of the unit cell volume, and are partially occupied by the water and ethyl acetate molecules. Both hydroxyl groups act as donors in O–H⋯O hydrogen bonds. These H-bonds form a large ring. The powder pattern has been submitted to ICDD® for inclusion in the Powder Diffraction File™ (PDF®).
A retrograde approach for transcatheter valvotomy procedure in infants with pulmonary atresia intact ventricular septum (PA-IVS): retrograde versus antegrade approach
Authors: Prakoso Radityo , Putra Bayushi Eka , Kurniawati Yovi , Siagian Sisca Natalia , Lelya Olfi , Sembiring Aditya Agita , Roebiono Poppy S. , Rahajoe Anna Ulfah , Sakidjan Indriwanto , Harimurti Ganesja M. , Lilyasari Oktavia
Published: June 2022

Introduction:

This study evaluates the retrograde approach compared to the antegrade approach in infants with PA-IVS who underwent transcatheter pulmonary valvotomy procedure at National Cardiovascular Center Harapan Kita, Jakarta, Indonesia.

Material and method:

This is a single-centre retrospective study conducted from January 2017 to June 2019 consisting of infants undergoing transcatheter pulmonary valvotomy procedures from our centre.

Results:

Among 3733 records of cardiac catheter procedure in paediatric patients during the last 3 years, there were 12 subjects with PA-IVS, where five subjects were done by antegrade approach and seven by retrograde approach. The retrograde approach is shown to excel the antegrade approach in terms of procedural time by 58.64 minutes (CI 95 % 32.97–84.29, p = 0.008) and PA-RV crossing time by 27 minutes (CI 95 % 14.01–39.99, p = 0.02). There was no significant difference in contrast used (120.23 ± 25.77 versus 150.27 ± 39.26 ml/BSA, p = 0.518), and right ventricle to pulmonary artery systolic pressure gradient after valvotomy (39.571 ± 5.814 versus 53.52 ± 29.15, p = 0.329) between the retrograde and the antegrade approach.

Conclusion:

The retrograde approach offered shorter procedural time and comparably satisfying results than the antegrade approach. The shorter procedural time was preferred due to the shorter duration of general anaesthesia, which may decrease the risk of neurodevelopmental deficits in the patient.
Composition and sensitivity of residential energy consumption
Authors: Jimenez Mori Raul , Yepez-Garcia Ariel , Macedo Demian
Published: June 2022

We examine how the composition of residential energy consumption and its sensitivity with respect to income changes. The paper characterizes the energy transition, analyzing the behavior of income elasticity of energy demand along the economic development stages by fuel types. The results indicate a nonlinear relationship between income and domestic energy consumption that can be explained by two factors. First, along the income distribution, consumption of modern fuels increases, replacing traditional and transitional fuels until modern fuels drive all of the growth in domestic energy demand. Second, at the highest income levels, income elasticity starts to decrease, leading to concavity in energy consumption. That is, the income elasticity of residential energy demand follows an inverse U-shape along the world income distribution. This finding suggests that at high income levels, residential energy consumption shows satiation and net energy-saving effects.
The Silver Stream in the Foreground
Authors: SIMS ELEANOR
Published: June 2022

One of the classical features of landscape in Persian manuscript-illustration is a stream of water. Painted in silver, it winds its way through a picture in a manuscript, punctuating the ground with verdant green on either side, even though the stream itself may have tarnished with centuries of exposure to the air.

Among a small group of paintings kept in several of the celebrated Hazine albums in the Topkapi Saray Library in Istanbul, the group that Ernst J. Grube, in 1980, had called ‘Chinese People’, one stands out, the cover-illustration to an exhibition in London in 2005. There entitled ‘Enthronement Scene’, it is unlike its closest companion-parallels, which have unpainted grounds but no naturally occurring water in the landscape: it has a surface almost fully covered in pigment; but at its very bottom can be seen the tarnished remains of ‘a silver stream in the foreground’.

Placed variously on a continuum stretching ‘between China and Iran’, since about 1972, the prevailing attribution has been to Aq Quyunlu Tabriz around 1480. Given ‘the silver stream in its foreground’, this article re-examines that attribution and proposes that it may be as much as a century earlier but ‘modernised’, given a fully painted landscape, at Ya'qub Beg's court in Tabriz.
Impact on the NHS and health of the UK's trade and cooperation relationship with the EU, and beyond
Authors: Fahy Nick , Hervey Tamara , Dayan Mark , Flear Mark , Galsworthy Michael J. , Greer Scott , Jarman Holly , McCarey Martha , McKee Martin , Wood Matthew
Published: June 2022

The UK's relationship with the European Union (EU) is now embodied in two principal legal instruments: the EU–UK Trade and Cooperation Agreement, which formally entered into force on 1 May 2021; and the Withdrawal Agreement, with its Protocol on Ireland/Northern Ireland, which continues to apply. Using a ‘building blocks’ framework for analysis of national health systems derived from the World Health Organisation, this article examines the likely impacts in the UK of this legal settlement on the National Health Service (NHS), health and social care. Specifically, we determine the extent to which the trade, cooperation and regulatory aspects of those legal measures support positive impacts for the NHS and social care. We show that, as there is clear support for positive health and care outcomes in only one of the 17 NHS ‘building blocks’, unless mitigating action is taken, the likely outcomes will be detrimental. However, as the legal settlement gives the UK a great deal of regulatory freedom, especially in Great Britain, we argue that it is crucial to track the effects of proposed new health and social care-related policy choices in the months and years ahead.
Let Me Be the Judge: Ideology, Identity, and Judicial Selection
Authors: Eriksson Lina M. , Vernby Kåre
Published: June 2022

A substantial body of research has found biased recruitment in a variety of societal spheres. We study selection in the judiciary, a domain that has received less attention than the economic and political spheres. Our field experiment took place in the midst of a Swedish government campaign encouraging ordinary citizens to contact local parties, which are responsible for recruiting lay judges (jurors) and put themselves forward as lay judge candidates. Parties’ responsiveness to citizen requests does not seem to favor their own sympathizers, does not vary at all with signals of gender, and is only marginally affected by ethnicity and age. Given the potential importance of ideology and identity in judicial decision-making, the finding that there is little bias with respect to these factors at this first stage of the recruitment process is reassuring from the perspective of impartiality.
Which Rainfall Errors Can Hydrologic Models Handle? Implications for Using Satellite‐Derived Products in Sparsely Gauged Catchments
Authors: Stephens C. M. , Pham H. T. , Marshall L. A. , Johnson F. M.
Published: June 2022

There is interest in applying satellite‐derived rainfall products for water management in data‐sparse areas. However, questions remain around how uncertainties in different products interact with hydrologic models to determine simulation skill. Most related work uses performance statistics that inherently combine rainfall magnitude, timing and persistence, making it unclear which product improvements should be prioritized. We applied six satellite‐derived rainfall products in a conceptual hydrologic model (GR4J) across four Australian catchments with dense gauge data for comparison. We found that GR4J's inherent flexibility allowed it to filter errors in rainfall magnitude and variance through parameterization. Therefore, when rainfall observations for bias correction are unavailable, calibration of a flexible model could prove a useful alternative. However, the model was less able to compensate for errors in rainfall occurrence. In fact, the Probability of Detection score explained 59% of the variance in calibration performance (26% for validation), while overall bias explained just 14% (8% for validation). All products underestimated rainfall state persistence, but this had less influence on model skill. We then removed gauges from the observed data set to mimic data sparsity, finding that even a few gauges could reproduce rainfall occurrence and outperform satellite‐derived products. Two data‐sparse catchments in Vietnam were modeled to check whether the same learnings applied. The gauge data also performed best in Vietnam, and performance of most satellite‐derived products was comparable to the Australian case. Efforts to increase the spatial and temporal resolution of satellite observations, which could improve rainfall detection, will enhance satellite‐derived precipitation for hydrologic modeling.
Reconstruction of GRACE Mass Change Time Series Using a Bayesian Framework
Authors: Rateb Ashraf , Sun Alexander , Scanlon Bridget R. , Save Himanshu , Hasan Emad
Published: June 2022

Gravity Recovery and Climate Experiment and its Follow On (GRACE (‐FO)) missions have resulted in a paradigm shift in understanding the temporal changes in the Earth's gravity field and its drivers. To provide continuous observations to the user community, missing monthly solutions within and between GRACE (‐FO) missions (33 solutions) need to be imputed. Here, we modeled GRACE (‐FO) data (196 solutions) between 04/2002–04/2021 to infer missing solutions and derive uncertainties in the existing and missing observations using Bayesian inference. First, we parametrized the GRACE (‐FO) time series using an additive generative model comprising long‐term variability (secular trend + interannual to decadal variations), annual, and semi‐annual cycles. Informative priors for each component were used and Markov Chain Monte Carlo (MCMC) was applied to generate 2,000 samples for each component to quantify the posterior distributions. Second, we reconstructed the new data (229 solutions) by joining medians of posterior distributions of all components and adding back the residuals to secure the variability of the original data. Results show that the reconstructed solutions explain 99% of the variability of the original data at the basin scale and 78% at the one‐degree grid scale. The results outperform other reconstructed data in terms of accuracy relative to land surface modeling. Our data‐driven approach relies only on GRACE (‐FO) observations and provides a total uncertainty over GRACE (‐FO) data from the data‐generation process perspective. Moreover, the predictive posterior distribution can be potentially used for “nowcasting” in GRACE (‐FO) near‐real‐time applications (e.g., data assimilations), which minimize the current mission data latency (40–60 days).
Direct Prediction of Fluid‐Fluid Displacement Efficiency in Ordered Porous Media Using the Pore Structure
Authors: Lan Tian , Hu Ran , Guo Wei , Wei Guan‐Ju , Chen Yi‐Feng , Zhou Chuang‐Bing
Published: June 2022

Fluid‐fluid displacement in porous media is common in many natural and engineering settings. Extensive studies investigated the transition of displacement patterns, but the direct prediction of the displacement efficiency using the pore structure is lacking. Here, we propose a method to directly predict the displacement efficiency with no need to solve the Navier‐Stokes and the Hagen‐Poiseuille equations in ordered porous media. The predictive method origins from the pore‐scale filling events, which can be divided into two directions such as the bulk flow direction and the transverse direction. The pore‐filling event (burst) dominates the fluid invasion for the bulk flow direction, and the invading phase forms a thin fingering channel. For the transverse direction, we introduce three invasion modes (compact, taper, and widen) to quantify fluid invasion. We can predict the finger width in each column, and the displacement efficiency can be predicted through the weighted average of the predicted finger width. We evaluate the predictive method using microfluidic experiments and pore‐network simulations, confirming that the predictive method can reasonably predict the displacement efficiency in ordered porous media. Our method can also be applicable for disorder porous media when the disorder is smaller than a critical value. The predictive method can directly predict fluid invasion according to pore structure, thus greatly improving the computational efficiency and is of significance in multiphase flow control.
Algal Mats May Be a Key to the Arctic Food Web
Authors: Szakal Fanni
Published: June 2022

Melt ponds in sea ice have thriving algal communities with startlingly high levels of photosynthetic activity.
Glacially Induced Stress Across the Arctic From the Eemian Interglacial to the Present—Implications for Faulting and Methane Seepage
Authors: Vachon R. , Schmidt P. , Lund B. , Plaza‐Faverola A. , Patton H. , Hubbard A.
Published: June 2022

Strong compressive and shear stresses generated by glacial loading and unloading have a direct impact on near‐surface geological processes. Glacial stresses are constantly evolving, creating stress perturbations in the lithosphere that extend significant distances away from the ice. In the Arctic, periodic methane seepage and faulting have been recurrently associated with glacial cycles. However, the evolution of the Arctic glacial stress field and its impact on the upper lithosphere have not been investigated. Here, we compute the evolution in space and time of the glacial stresses induced in the Arctic lithosphere by the North American, Eurasian and Greenland ice sheets during the latest glaciation. We use glacial isostatic adjustment (GIA) methodology to investigate the response of spherical, viscoelastic Earth models with varying lithospheric thickness to the ice loads. We find that the GIA‐induced maximum horizontal stress (σH) is compressive in regions characterized by thick ice cover, with magnitudes of 20–25 MPa in Fennoscandia and 35–40 MPa in Greenland at the last glacial maximum. Simultaneously, a tensile regime with σH magnitude down to −16 MPa dominates across the forebulges with a mean of −4 MPa in the Fram Strait. At present time, σH in the Fram Strait remains tensile with an East‐West orientation. The evolution of GIA‐induced stresses from the last glaciation to present could destabilize faults along tensile forebulges, for example, the west‐coast of Svalbard. A more tensile stress regime as during the Last Glacial Maximum would have more impact on pre‐existing faults that favor gas seepage from gas reservoirs.
Enhanced Deposition of Atmospheric Soluble Iron by Intrusions of Marine Air Masses to East Antarctica
Authors: Winton V. H. L. , Bowie A. R. , Curran M. A. , Moy A. D.
Published: June 2022

Bio‐essential iron can relieve nutrient limitation and stimulate marine productivity in the Southern Ocean. The fractional iron solubility of aerosol iron is an important variable determining iron availability for biological uptake. However, estimates of dissolved iron (dFe; iron < 0.2 μm) and the factors driving the variability of fractional iron solubility in pristine air masses are largely unquantified. To constrain inputs of fractional iron solubility to remote East Antarctic waters, dFe, total dissolvable iron (TDFe), trace elements and refractory black carbon were analyzed in a 9‐year‐old snow pit (2005–2014) from a new ice core site at Aurora Basin North (ABN) in Wilkes Land, East Antarctica. Extremely low annual dFe deposition fluxes were estimated (0.2 × 10−6 g m−2 y−1), while annual TDFe deposition fluxes (70 × 10−6 g m−2 y−1) were comparable to other Antarctic sites. TDFe is dominantly sourced from mineral dust. Unlike coastal Antarctic sites where the variability of fractional iron solubility in modern snow is explained by a mixture of dust and biomass burning sources, dFe deposition and fractional iron solubility at ABN (ranging between 0.1% and 6%) is enhanced in episodic high precipitation events from synoptic warm air masses. Enhanced fractional iron solubility reaching the high elevation site at ABN is suggested through the mechanism of cloud processing of background mineral dust that modifies the dust chemistry and increases iron dissolution during long‐range transport. This study highlights a complex interplay of sources and processes that drive fractional iron solubility in pristine air masses.
Rest-activity rhythms and tract specific white matter lesions in older adults at risk for cognitive decline
Authors: Palmer Jake R. , Wang Chenyu , Kong Dexiao , Cespedes Marcela , Pye Jonathon , Hickie Ian B. , Barnett Michael , Naismith Sharon L.
Published: June 2022

White matter lesions (WMLs) are common in older adults and represent an important predictor of negative long-term outcomes. Rest-activity rhythm disturbance is also common, however, few studies have investigated associations between these factors. We employed a novel AI-based automatic WML segmentation tool and diffusion-weighted tractography to investigate associations between tract specific WML volumes and non-parametric actigraphy measures in older adults at risk for cognitive decline. The primary non-parametric measures of interest were inter-daily stability (IS), intra-daily variability and relative amplitude, with the anterior thalamic radiation (ATR), superior longitudinal fasciculus (SLF) and inferior longitudinal fasciculus (ILF) selected as tracts of interest. One hundred and eight participants at risk for cognitive decline (classified as experiencing subjective or objective cognitive decline) were included (mean age = 68.85 years, SD = 8.91). Of the primary non-parametric measures of interest, results showed that lower IS was associated with a greater likelihood of higher WML burden in the ATR (OR = 1.82, 95% CI [1.12,3.15]). Analysis of secondary non-parametric measures revealed later onset of the least active period to be associated with greater likelihood of high WML burden in the SLF (OR = 1.55, 95% CI [1.00,2.53]) and increased activity during the least active 5-h period to be associated with a greater likelihood of high whole-brain WML burden (OR = 1.83, 95% CI [1.06,3.47]). This study shows integrity of the ATR and SLF, and overall WML burden is linked to altered rest-activity rhythms in older adults at risk for cognitive decline, with those demonstrating altered rest-activity rhythms showing 50%-80% higher odds of having high WML burden.
Orthogonal interlayer coupling in an all-antiferromagnetic junction
Authors: Zhou Yongjian , Liao Liyang , Guo Tingwen , Bai Hua , Zhao Mingkun , Wan Caihua , Huang Lin , Han Lei , Qiao Leilei , You Yunfeng , Chen Chong , Chen Ruyi , Zhou Zhiyuan , Han Xiufeng , Pan Feng , Song Cheng
Published: June 2022

In conventional ferromagnet/spacer/ferromagnet sandwiches, noncollinear couplings are commonly absent because of the low coupling energy and strong magnetization. For antiferromagnets (AFM), the small net moment can embody a low coupling energy as a sizable coupling field, however, such AFM sandwich structures have been scarcely explored. Here we demonstrate orthogonal interlayer coupling at room temperature in an all-antiferromagnetic junction Fe2O3/Cr2O3/Fe2O3, where the Néel vectors in the top and bottom Fe2O3 layers are strongly orthogonally coupled and the coupling strength is significantly affected by the thickness of the antiferromagnetic Cr2O3 spacer. From the energy and symmetry analysis, the direct coupling via uniform magnetic ordering in Cr2O3 spacer in our junction is excluded. The coupling is proposed to be mediated by the non-uniform domain wall state in the spacer. The strong long-range coupling in an antiferromagnetic junction provides an unexplored approach for designing antiferromagnetic structures and makes it a promising building block for antiferromagnetic devices.
Magneto-optical Kerr effect in surface engineered 2D hexagonal boron nitride
Authors: Torkashvand Ziba , Mirabbaszadeh Kavoos , Shayeganfar Farzaneh , Lee Changgu
Published: June 2022

Magnetism in atomically thin functional materials can be an important phenomenon for exploring two-dimensional magneto-optics. Magneto-optical experimental data have revealed significant Kerr signals in insulator thin films. Here, the magneto-optical Kerr effect of oxygen functionalized and doped hexagonal boron nitride (hBN) has been investigated by performing first-principles calculations. We calculated Kerr angle and Kerr ellipticity for functionalized hBN as an attention-drawn material. Moreover, increasing of oxygen doping percentage leads to the introduction of surface plasmon to hBN. Our findings show that the functionalized hBN can tolerate high-temperature conditions, keeping oxygen atoms bridge-bonded. These giant opto/magnetic responses of insulating 2D materials provide a platform for the potential designing of magneto-optical devices.
A time-reversed model selection approach to time series forecasting
Authors: Sibeijn Max , Pequito Sérgio
Published: June 2022

In this paper, we introduce a novel model selection approach to time series forecasting. For linear stationary processes, such as AR processes, the direction of time is independent of the model parameters. By combining theoretical principles of time-reversibility in time series with conventional modeling approaches such as information criteria, we construct a criterion that employs the backwards prediction (backcast) as a proxy for the forecast. Hereby, we aim to adopt a theoretically grounded, data-driven approach to model selection. The novel criterion is named the backwards validated information criterion (BVIC). The BVIC identifies suitable models by trading off a measure of goodness-of-fit and a models ability to predict backwards. We test the performance of the BVIC by conducting experiments on synthetic and real data. In each experiment, the BVIC is examined in contrast to conventionally employed criteria. Our experimental results suggest that the BVIC has comparable performance as conventional information criteria. Specifically, in most of the experiments performed, we did not find statistically significant differences between the forecast error of the BVIC under certain parameterizations and that of the different information criteria. Nonetheless, it is worth emphasizing that the BVIC guarantees are established by design where the model order penalization term depends on strong mathematical properties of time-reversible time series forecasting properties and a finite data assessment. In particular, the penalization term is replaced by a weighted trade-off between functional dimensions pertaining to forecasting.That said, we observed that the BVIC recovered more accurately the real order of the underlying process than the other criteria, which rely on a static penalization of the model order. Lastly, leveraging the latter property we perform the assessment of the order model (or, memory) of time series pertaining to epileptic seizures recorded using electrocorticographic data. Our results provide converging evidence that the order of the model increases during the epileptic events.
Damage law and mechanism of coal-rock joint structure induced by liquid nitrogen at low temperature
Authors: Li Hewan , Sun Siyang , Wang Laigui , Liu Jian , Zhang Ziheng
Published: June 2022

The width and degree of connectivity of coal-rock joints directly affect the seepage capacity of flow energy such as gas. To study the damage law and mechanism of the coal-rock joint structure under the action of liquid nitrogen, two methods of liquid nitrogen unloaded and liquid nitrogen freeze–thaw were used to carry out damage modification experiments on coal-rock with different water saturation. Using OLS4000 laser confocal microscope and MH-25 universal testing machine to conduct electron microscope scanning and uniaxial compression test, measure the joint width expansions and Young's modulus of the coal-rock surface before and after the test, establish a physical and mechanical model of freeze–thaw damage to analyze the ice-wedge expansion stress influence on the damage of coal-rock joint structure and establish damage criterion. The research results show that the ice-wedge expansion stress, confining pressure, and temperature stress in the joint jointly affect the structural damage of coal-rock joints, and the ice-wedge expansion stress contributes the most. With the increase of water saturation, the damage to the coal-rock joint structure intensifies, and the ice-wedge expansion stress under the water saturation state has the most obvious influence on the damage to the coal-rock joint structure. The damage criterion constructed by the freeze–thaw damage physical–mechanical model can reveal the damage mechanism of the effect of ice-wedge expansion stress on the coal-rock joint structure. This paper has certain practical significance for the safety and stability evaluation of rock engineering in cold and arid regions and provides new ideas for effectively extracting clean energy such as coalbed methane and preventing rock bursts.
Potential metabolic and genetic interaction among viruses, methanogen and methanotrophic archaea, and their syntrophic partners
Authors: Wang Long , Wang Yinzhao , Huang Xingyu , Ma Ruijie , Li Jiangtao , Wang Fengping , Jiao Nianzhi , Zhang Rui
Published: June 2022

The metabolism of methane in anoxic ecosystems is mainly mediated by methanogens and methane-oxidizing archaea (MMA), key players in global carbon cycling. Viruses are vital in regulating their host fate and ecological function. However, our knowledge about the distribution and diversity of MMA viruses and their interactions with hosts is rather limited. Here, by searching metagenomes containing mcrA (the gene coding for the α-subunit of methyl-coenzyme M reductase) from a wide variety of environments, 140 viral operational taxonomic units (vOTUs) that potentially infect methanogens or methane-oxidizing archaea were retrieved. Four MMA vOTUs (three infecting the order Methanobacteriales and one infecting the order Methanococcales) were predicted to cross-domain infect sulfate-reducing bacteria. By facilitating assimilatory sulfur reduction, MMA viruses may increase the fitness of their hosts in sulfate-depleted anoxic ecosystems and benefit from synthesis of the sulfur-containing amino acid cysteine. Moreover, cell-cell aggregation promoted by MMA viruses may be beneficial for both the viruses and their hosts by improving infectivity and environmental stress resistance, respectively. Our results suggest a potential role of viruses in the ecological and environmental adaptation of methanogens and methane-oxidizing archaea.
Metamagnetic transition and a loss of magnetic hysteresis caused by electron trapping in monolayers of single-molecule magnet Tb2@C79N
Authors: Koutsouflakis Emmanouil , Krylov Denis , Bachellier Nicolas , Sostina Daria , Dubrovin Vasilii , Liu Fupin , Spree Lukas , Velkos Georgios , Schimmel Sebastian , Wang Yaofeng , Büchner Bernd , Westerström Rasmus , Bulbucan Claudiu , Kirkpatrick Kyle , Muntwiler Matthias , Dreiser Jan , Greber Thomas , Avdoshenko Stas M. , Dorn Harry , Popov Alexey A.
Published: June 2022

Whereas bulk Tb2@C79N is a single-molecule magnet with broad hysteresis, its monolayers on different substrates show the prevalence of a non-magnetic ground state near zero magnetic field and a metamagnetic transition with the field increase.
One-step separation of Cu, Fe, Zn and Cd and isotope ratio analysis by MC-ICP-MS for geological samples
Authors: Li Hai-tao , Li Xing , Li Ming , Guo Wei , Jin Lan-lan , Zhu Zhen-li , Hou Qing-ye , Hu Sheng-hong
Published: June 2022

Multi-isotope systems have shown great application potential in tracing geological and environmental processes.
Correction: A highly sensitive silicon nanowire array sensor for joint detection of tumor markers CEA and AFP
Authors: Lu Ke , Liu Chaoran , Wang Gaofeng , Yang Weihuang , Fan Kai , Lazarouk Serguei , Labunov Vladimir , Dong Linxi , Li Dujuan , Yang Xun
Published: June 2022

Correction for ‘A highly sensitive silicon nanowire array sensor for joint detection of tumor markers CEA and AFP’ by Ke Lu et al., Biomater. Sci., 2022, https://doi.org/10.1039/D2BM00555G.
Photoresponsive proton conduction in Zr-based metal–organic frameworks using the photothermal effect
Authors: Qin Ming-Feng , Wang Chang-Yu , Bao Song-Song , Zheng Li-Min
Published: June 2022

A new zirconium-based MOF [Zr2(H4TPPP)(OH/F)2]·xH2O (1) is reported showing a prominent photothermal effect over a wide spectral range and photo-enhanced and switchable proton conductivity.
Polymerization-like mechanism for fixation of CO2 with epoxides by multifunctional organocatalysts
Authors: Chen Mingan , Yang Hui , Wong Ming Wah
Published: June 2022

A computational DFT-D3 study revealed a new polymerization-like mechanism comprising alternate epoxide and CO2 activation steps and a nested CO2 activation pathway for CO2 fixation of epoxides catalyzed by multifunctional non-halide organocatalysts.
Excellent electrical properties and high Curie temperature of the V2O5-modified Pb(Sc1/2Nb1/2)O3–Pb(Mg1/3Nb2/3)O3–PbTiO3 ferroelectric crystal
Authors: Lei Jie , Li Xiaojuan , Fan Xing , Yan Zhaozhong , He Aiguo , Long Wei , Fang Pinyang , Guo Feifei , Xi Zengzhe
Published: June 2022

The V2O5-doped ternary Pb(Sc1/2Nb1/2)O3–Pb(Mg1/3Nb2/3)O3–PbTiO3 (V–PSN–PMN–PT) relaxor ferroelectric crystals show excellent piezoelectricity d33 ≈ 1600 pC/N and high Curie temperature TC ≈ 174 °C.
Lipidome reveals the alleviation of acrylamide-induced impairment by krill oil
Authors: Shi Jiachen , Wang Yanan , Lei Yuanluo , Chen Xiaoying , Liu Yuanfa , Xu Yong-Jiang
Published: June 2022

Krill oil is rich in polyunsaturated fatty acids and helps to locomotion.
Prediction of tumor metastasis via extracellular vesicles-treated platelet adhesion on a blood vessel chip
Authors: Kim Junyoung , Sunkara Vijaya , Kim Jungmin , Ro Jooyoung , Kim Chi-Ju , Clarissa Elizabeth Maria , Jung Sung Wook , Lee Hee Jin , Cho Yoon-Kyoung
Published: June 2022

IL-8 of tumor-derived EVs activates platelets with elevated P-selectin expression and ligand affinity, thereby enhancing adhesion to vessel chips. The increased tumor adhesion on vessel chips can then be utilized to predict tumor metastasis.
Multifunctional microfluidic chips for the single particle inductively coupled plasma mass spectrometry analysis of inorganic nanoparticles
Authors: Kajner Gyula , Kéri Albert , Bélteki Ádám , Valkai Sándor , Dér András , Geretovszky Zsolt , Galbács Gábor
Published: June 2022

Microfluidic chips were developed for the sample preparation of nanoparticle dispersions for single particle inductively coupled plasma mass spectrometry analysis.
Molecular modeling and nonlinear optical properties of new isostructural halogenated dihydroquinolinones
Authors: Sallum Loide O. , Valverde Clodoaldo , Andrade Igor L. , D’Oliveira Giulio D. C. , Perez Caridad N. , Camargo Ademir J. , Osório Francisco A. P. , Fonseca Tertius L. , Napolitano Hamilton B.
Published: June 2022

Two new isostructural halogenated dihydroquinolinones were synthesized and characterized by single crystal X-ray diffraction.
Magnetic couplings and applied electric field regulation in diradical SiC defect diamond-like nanoclusters
Authors: Lin Xuexing , Bu Yuxiang
Published: June 2022

We computationally characterize the diradical characters and explore the magnetic spin coupling characteristics of SiC defect diamond-like nanoclusters and their regulation by applied electric field.
Block-copolymeric maltodextrin-based amphiphilic glycosilicones as surface-active systems
Authors: Dobrynin Mikhail V. , Mongilev Ilya V. , Lezov Alexey A. , Perevyazko Igor , Tolstoy Peter M. , Anufrikov Yurii A. , Shasherina Anna Yu. , Vlasov Petr S. , Kukushkin Vadim Yu. , Islamova Regina M.
Published: June 2022

An efficient synthetic strategy that includes protection–modification–deprotection consequence was successfully developed to obtain novel water-soluble, amphiphilic, surface-active maltodextrin-based glycosilicones.
Designing 1D multiheme peptide amphiphile assemblies reminiscent of natural systems
Authors: Christopher Fry H. , Divan Ralu , Liu Yuzi
Published: June 2022

A series of heme binding peptide assemblies were investigated. c16-AH(Kx)n-CONH2(PA-Kxn) was varied fromn= 1–4 (x = L, I, or F). The highest affinity was found for PA-KL2 and yielded long aspect ratio nanofibers similar to natural examples.
The effect of specific adsorption of halide ions on electrochemical CO2 reduction
Authors: Yuan Tenghui , Wang Tuo , Zhang Gong , Deng Wanyu , Cheng Dongfang , Gao Hui , Zhao Jing , Yu Jia , Zhang Peng , Gong Jinlong
Published: June 2022

Reconstruction of catalyst morphology induced by halide ions over of Cu-based catalysts during CO2 electroreduction is suppressed using K2SO4 as supporting electrolyte. Adsorption of halide ions is an enabling factor to enhance CO2 electroreduction.
Correction: Cooperative C–H activation of pyridine by PBP complexes of Rh and Ir can lead to bridging 2-pyridyls with different connectivity to the B–M unit
Authors: Cao Yihan , Shih Wei-Chun , Bhuvanesh Nattamai , Zhou Jia , Ozerov Oleg V.
Published: June 2022

Correction for ‘Cooperative C–H activation of pyridine by PBP complexes of Rh and Ir can lead to bridging 2-pyridyls with different connectivity to the B–M unit’ by Yihan Cao et al., Chem. Sci., 2021, 12, 14167–14173, https://doi.org/10.1039/D1SC01850G.
Editor's choice collection on luminescent metal halides: here come halide perovskites and their derivatives
Authors: Xia Zhiguo
Published: June 2022

Zhiguo Xia, Associate Editor for Journal of Materials Chemistry C and Materials Advances, introduces this Editor's choice collection on ‘luminescent metal halides’.
Performance analysis of IRS‐aided cooperative NOMA‐MEC system
Authors: Li Xuehua , Liu Ziwei , Dong Xiequn , Yue Xinwei , Tang Wanwei
Published: June 2022

In this paper, an intelligent reflecting surface (IRS) assisted cooperative non‐orthogonal multiple access and mobile edge computing (NOMA‐MEC) system is proposed, where a base station sends signals to users through the virtue of the IRS. When the direct links between the base station and the user are blocked, the offloading tasks will be refracted to the near‐end user through the IRS and forwarded to the remote user, where the near‐end user is equipped with an MEC server working at full duplex or half duplex mode. To evaluate the potential performance of IRS aided cooperative NOMA‐MEC, new closed‐form expressions of the offloading outage probability is deduced for a pair of users. The asymptotic expressions of offloading outage probability are provided in the high signal‐to‐noise ratio regime. Simulation results are presented to substantiate the analyses and demonstrate that: (i) The offloading outage behaviors of IRS‐aided cooperative NOMA‐MEC systems are superior to that of NOMA‐MEC without IRS and IRS‐aided OMA‐MEC; (ii) As the value of parameter Q increases, the IRS‐aided NOMA‐MEC system is capable of achieving the enhanced offloading outage performance; (iii) By comparing with NOMA‐MEC without IRS and IRS‐aided OMA‐MEC, the energy efficiency and system throughput of IRS‐aided NOMA‐MEC has obvious advantages in delay‐limited transmission mode.
Dynamic changes of serum cytokines in acute paraquat poisoning and changes in patients' immune function
Authors: Yuan Huimin , Liu Qian , Yu Yulan
Published: June 2022

Acute paraquat poisoning is due to the extremely severe toxicity of paraquat. After paraquat enters the human body, it will cause rapid changes in the human body system. Since paraquat poisoning will quickly invade the organs of the whole body, it may cause damage to the functions of multiple organs in the poisoned patient. The liver organ is the most important detoxification site for the human body, so the damage to the liver of the patient is more obvious. This article discovers and observes the structure of paraquat and the dynamic changes of serum cytokines in patients with paraquat poisoning through the clinical phenomenon of paraquat poisoning, and the related changes of human serum cells after the subjects took paraquat and the changes of cell dynamic factors after different doses of paraquat entered the human body were analysed. At the same time, the changes in the immune function of the body of different groups of people were also observed. The experimental results in this article show that according to the intake of paraquat, the severity of poisoning patients will be mild, moderate, severe and outbreak poisoning. Among them, the dose for adults who cannot be treated for prognosis is 10 ml.
Electron dynamics in small magnetospheres
Authors: Lavorenti Federico , Henri Pierre , Califano Francesco , Deca Jan , Aizawa Sae , André Nicolas , Benkhoff Johannes
Published: June 2022

Context. The planet Mercury possesses a small but highly dynamic magnetosphere in which the role and dynamics of electrons are still largely unknown.

Aims. We aim to model the global dynamics of solar-wind electrons impinging on Mercury’s magnetosphere. Particular relevance is given to local acceleration processes and the global circulation patterns.

Methods. The goals of this work are pursued by means of three-dimensional, fully kinetic particle-in-cell simulations modeling the interaction of the solar wind with the Hermean magnetosphere. This method allows a self-consistent representation of the plasma dynamics from the large planetary scale down to the electron kinetic scale. We carried out numerical simulations using two different solar-wind conditions: purely northward or purely southward interplanetary magnetic field direction.

Results. We find a high plasma current (of the order of few μA m−2) flowing at the magnetospheric boundaries (bow shock and magnetopause) dominated by electrons. This current is driven by the small-scale electron physics resolved in our model. Furthermore, we observe strong electron acceleration up to tens of keV as a consequence of magnetic reconnection when the interplanetary magnetic field is directed southward. Such energetic electrons are partially trapped in the dipolar magnetic field of the planet mainly at nightside. Finally, by studying the distribution of electrons in our simulations along Mariner10 and BepiColombo first-Mercury-flyby trajectories, we propose that both spacecraft observed this energetic quasi-trapped electron population around closest approach.
Control and stabilization for the dispersion generalized Benjamin equation on the circle
Authors: Vielma Leal Francisco J. , Pastor Ademir
Published: June 2022

This paper is concerned with controllability and stabilization properties of the dispersion generalized Benjamin equation on the periodic domain T. First, by assuming the control input acts on all the domain, the system is proved to be globally exactly controllable in the Sobolev space Hsp(𝕋), with s ≥ 0. Second, by providing a locally-damped term added to the equation as a feedback law, it is shown that the resulting equation is globally well-posed and locally exponentially stabilizable in the space L2p(𝕋). The main ingredient to prove the global well-posedness is the introduction of the dissipation-normalized Bourgain spaces which allows one to gain smoothing properties simultaneously from the dissipation and dispersion present in the equation. Finally, the local exponential stabilizability result is accomplished taking into account the decay of the associated semigroup combined with the fixed point argument.
Fluorination and chlorination effects on the charge transport properties of the IDIC non-fullerene acceptor: an ab-initio investigation
Authors: Andrea Maria , Kordos Konstantinos , Lidorikis Elefterios , Papageorgiou Dimitrios
Published: June 2022

Fused-ring electron acceptors end-capped with electron withdrawing groups have contributed to the ever-increasing power conversion efficiency of organic solar cells. Adding π-extensions and halogenating the end groups are two popular strategies to boost performance even further. In this work, a typical non-fullerene acceptor molecule, IDIC, is used as a model system for investigating the impact of the halogenation approach at the molecular level. The two end groups are substituted by fluorinated and chlorinated counterparts and their electronic and optical properties are systematically probed using ab-initio calculations. In gas phase, halogenation lowers the HOMO and LUMO energy levels and narrows the energy gap, especially for the chlorinated compound. Moreover, chlorinated IDIC exhibits the largest redshift and the smallest reorganization energy. Finally, crystal structures of the three compounds are constructed, revealing an improved transfer integral and transfer rate for the halogenated variants. Specifically, the chlorination strategy leads to an increase of 60% in transfer rate, compared to halogen-free IDIC.