bluuebunny/crossref_metadata_2025 huggingface dataset:
Water quality assessment of the Nam River, Korea, using multivariate statistical analysis and WQI
Authors: Kwon H. G. , Jo C. D.
Published: January 2023

Water quality assessment using water quality index (WQI) is performed based on major variables reflecting the river characteristics. We evaluated the water quality of tributaries of the Nam River in South Korea. We analyzed the tributaries spatial characteristics using cluster analyses and selected the main water quality variables (Cluster 1: chemical oxygen demand [COD], total organic carbon [TOC], total nitrogen, and total phosphorus; Cluster 2: water temperature [WT], dissolved oxygen [DO], COD, and TOC; Cluster 3: WT, DO, electrical conductance, COD, and TOC) of the clustered rivers. The WQI for each tributary was calculated using variables selected post statistical analysis. We verified that the WQI calculated in this study was similar to the annual change in water quality of the target river. Finally, it was analyzed that performing river water quality evaluation using the major variables selected using statistical analysis reflects the current water quality status of the river in more detail. (WQI grade was S1 Good (63.0), S2 Poor (53.3), S3 Excellent (98.4), S4 Poor (48.4), S5 (Excellent (100.0), S6 Good (77.6), S7 Good (76.2), S8 Good (76.5), S9 Good (69.9), S10 Excellent (81.5), S11 Good (71.2), S12 Good (63.1), and S13 Good (63.5).) Our method effectively reduced the number of variables required for index calculation compared with WQI methods of the MOE. Further, the reduced number of variables simplified the analysis process, reduced analysis time, and enabled water quality assessment that reflected the water quality characteristics of the river to be evaluated.
Multiscale soft computing-based model of shear strength of steel fibre-reinforced concrete beams
Authors: Alzabeebee Saif , Al‑Hamd Rwayda Kh. S. , Nassr Ali , Kareem Mohammed , Keawsawasvong Suraparb
Published: January 2023

Concrete is weak in tension, so steel fibres are added to the concrete members to increase shear capability. The shear capacity of steel fibre-reinforced concrete (SFRC) beams is crucial when building reinforced concrete structures. Creating a precise equation to determine the shear resistance of SFRC beams is challenging since many factors can influence the shear capacity of these beams. In addition, the precision available equations to predict the shear capacity are examined. The current research aims to examine the available equations and propose novel and more accurate model to predict the shear capacity of SFRC beams. An innovative evolutionary polynomial regression analysis (EPR- MOGA) is utilized to propose the new equation. The proposed equation offered improved prediction and increased accuracy compared to available equations, where it scored a lower mean absolute error ($$\mathrm{MAE}$$
MAE
) and root mean square error ($$\mathrm{RMSE}$$
RMSE
), a mean ($$\mu$$
μ
) close to the optimum value of 1.0 and a higher coefficient of determination ($${R}^{2}$$

R

2

) when a comparison with literature was conducted. Therefore, the new equation can be employed to assure more resilient and optimized design calculations due to their improved performance.
Kinetic Alfvén waves and auroral particle acceleration: a review
Authors: Lysak R. L.
Published: January 2023

Shear mode Alfvén waves are the carriers of field-aligned currents in the auroral zones of Earth and other planets. These waves travel along the magnetic field lines, coupling the outer magnetosphere with the ionosphere. However, in ideal magnetohydrodynamic (MHD) theory, the shear mode Alfvén wave does not carry a parallel electric field that could accelerate auroral particles. This can be modified by including kinetic effects, which lead to a parallel electric field when the perpendicular wavelength becomes comparable to the electron inertial length or the ion acoustic gyroradius. These small perpendicular wavelengths can be formed by phase mixing, ionospheric feedback, or nonlinear effects. Kinetic Alfvén waves are further constrained by their interaction with the ionosphere, which acts as a reflector for these waves. In addition, the strong plasma gradients in the topside ionosphere form an effective resonator that leads to fluctuations on time scales of seconds. These rapidly changing parallel electric fields can lead to broadband acceleration of auroral electrons, often called the Alfvénic aurora. Such interactions do not only take place in Earth’s magnetosphere, but have also been observed in Jupiter’s magnetosphere by the Juno satellite.
Racism and Indifference in Brazil: Anti-indigenous Text, Action, and Sensibility
Authors: Ioris Antonio Augusto Rossotto
Published: January 2023

The article investigates how racist trends have permeated Brazilian history and geography. It discusses the persistence of racism and indifference in the early post-independence and republic periods. Past relations continued to systematically impact the present in an always unfinished process of nation-building based on spurious treatments of socio-spatial differences. The discussion makes use of emblematic literature books and controversial interpretations of progress and national identity. One of the most relevant examples of the contested basis of national development, examined in the second part of the text, is the trajectory of indigenous peoples. The main reference is the Guarani-Kaiowa indigenous nation, which has been relentlessly impacted by an aggressive instrumentalisation of difference through the indifference of an agribusiness-based regional society. Their contemporary experience exposes multiple violence accumulated over time and through the production of an uneven space by explorers, missionaries, colonists, public authorities and, eventually, the export-oriented agribusiness sector. Despite all racist violence, the voice, consciousness and agency of indigenous peoples represent the most acute challenge to the status quo and the main source of creative politics in the country today.
Effects of the Ionospheric Conductance on the Dynamics of the Magnetotail
Authors: El‐Alaoui Mostafa , Walker Raymond J. , McPherron Robert L.
Published: January 2023

We have carried out a series of numerical experiments designed to evaluate the sensitivity of global magnetohydrodynamic simulations to changes in ionospheric conductance. We multiplied the precipitating energy fluxes due to both strong pitch angle scattering and parallel currents by constant factors in the Robinson et al. (1987, https://doi.org/10.1029/JA092iA03p02565) model and used them as input to a simulated substorm interval on 14 March 2008. We also used the Kaeppler et al. (2015, https://doi.org/10.1002/2015JA021396) model. When we reduced the energy fluxes by a factor of about three (0.34), the agreement on substorm location was best. Larger conductances led to onset at later local times. For multiplication factors greater than one, the magnetotail became line tied and no flows entered the inner magnetotail region. Relatively small (<50%) differences in the conductances lead to major changes in the tail configuration. We calculated auroral indices from the simulations and compared them to observations. None of the models reproduced the DP1 system but, we obtained much better agreement with the observed DP2 system. The model with the basic Robinson formula gave the best agreement with the DP2 system. We also ran a generic simulation with constant solar wind and southward IMF using the basic Robinson et al. model. The results were very similar to those of the event simulation suggesting that the changes were due to the ionospheric boundary condition. In the simulation, the energy flux obtained by assuming strong pitch angle scattering makes a larger contribution to the conductance than the field‐aligned current energy flux.
Preservation of Magma Recharge Signatures in Kīlauea Olivine During Protracted Storage
Authors: Mourey Adrien J. , Shea Thomas , Hammer Julia E.
Published: January 2023

Recharges of magma underneath basaltic volcanoes can occur as precursory events prior to an eruption but are not always revealed in geophysical data streams or erupted lavas compositions. In contrast, phosphorus within primitive, Mg‐rich (Fo89‐90), olivine can preserve recharge information lost by the mixed melt. Evidence of rapid growth and dissolution are preserved only in phosphorus X‐ray intensity maps, which reveal that Mg‐rich olivine from eruptions occurring between 2008 and 2020 at Kīlauea Volcano (Hawaiʻi) experienced at least two episodes of magma intrusion. We develop numerical diffusion models that evaluate the fidelity of the Fe‐Mg compositional archive by quantifying three factors that influence Fo population distributions: (a) the frequency at which an Mg‐rich basaltic liquid (in equilibrium with Fo90 olivine) intrudes the reservoir, (b) the pre‐existence of a polymodal distribution of olivine crystal sizes and their shapes (c) the effects of sectioning on apparent olivine core compositions. We find that most crystals lose their initial Mg‐rich composition if they are held at temperatures relevant to summit magma storage conditions (1,160–1,190°C) for more than 10 years. Thus, previous assertions that Mg‐rich olivine crystals at Kīlauea are scavenged from centuries‐old stored magmas are unrealistic. Our method permits critical evaluation of contrasting explanations of heterogeneous Fe‐Mg contents of olivine cargo: (a) different total durations of mush storage with partial diffusive erasure of compositional traits, or (b) coexistence of multiple chemically distinct magmas. Our approach provides general guidance for the conservative interpretation of temporal information preserved within olivine Fe‐Mg compositional archives.
Orbital Effect on North Atlantic Freshwater Forced Millennial‐Scale East Asian Summer Monsoon Variability During the Holocene
Authors: Chen Chunzhu , Zhao Wenwei , Zhang Xiaojian
Published: January 2023

Understanding millennial‐scale East Asian summer monsoon (EASM) variability is critical for climate projection in East Asia in the context of slowing Atlantic Meridional Overturning Circulation (AMOC) caused by global warming. This study performs two groups of sensitivity experiments at 8.2 and 4.2 ka BP, both forced by the same North Atlantic freshwater hosing and corresponding orbital parameters using the Community Earth System Model, to explore the orbital effect on millennial‐scale EASM variability. Our simulations reveal that EASM variability differs significantly between these two cold events. During the 8.2 ka BP (4.2 ka BP) (0 BP = 1950 AD) cold event, North Atlantic freshwater forcing weakens the EASM, generating a meridional tripole (dipole) pattern of EASM precipitation anomalies. Furthermore, the same freshwater discharge causes a greater decline in the EASM, contrasting to a slight weaker AMOC slowdown, at 4.2 ka BP than at 8.2 ka BP. This suggests orbital parameters significantly influence the EASM response to North Atlantic cold events. The East Asian subtropical westerly jet, whose meridional position and intensity are controlled by summer insolation on an orbital timescale, plays a key role in this orbital effect. The westerly jet's meridional position determines the spatial pattern of EASM precipitation anomalies, while its intensity affects the amplitude of the EASM's response to freshwater forcing. Because of a larger EASM decline due to freshwater hosing with lower summer insolation, we anticipate a profound declining EASM precipitation in the future with low summer insolation if the AMOC continues to weaken.
Emission Reductions Significantly Reduce the Hemispheric Contrast in Cloud Droplet Number Concentration in Recent Two Decades
Authors: Cao Yang , Zhu Yannian , Wang Minghuai , Rosenfeld Daniel , Liang Yuan , Liu Jihu , Liu Zhoukun , Bai Heming
Published: January 2023

Anthropogenic activities have drastically impacted the climate system since the Industrial Revolution. However, to what extent anthropogenic emissions influence the cloud droplet number concentration (Nd), the critical parameter for understanding aerosol‐cloud interactions, is poorly known on the hemispheric scale due to the considerable retrieval uncertainty. We employed multiple widely used Nd retrieval sampling methods to evaluate the long‐term trend in Nd contrast (ΔNd(NH‐SH)) between the Northern Hemisphere (NH) and Southern Hemisphere (SH). Here we show that the ΔNd(NH‐SH) was halved from 2003 to 2020 using different sampling methods and channels, even though the range of magnitudes of ΔNd(NH‐SH) from different retrieval sampling methods is large. Such dramatic changes in ΔNd(NH‐SH) are dominated by the significantly decreased Nd over the NH (∼20%) due to emission reductions compared to the relatively stable and pristine nature of the SH. Aerosol optical depth (AOD) and aerosol index (AI) correlate poorly with Nd based on long‐term trends, even though they replicate the contrast trends. This poor correlation is partly contributed by stratospheric smoke from wildfires in Australia that had little influence on Nd in the SH. The northwest Atlantic shows the largest contribution, ∼38%, to the Nd trend, whereas the northwest Pacific dominates the change in AOD and AI, contributing more than 60% to AOD and ∼50% to the AI trend in the NH. Our results imply that emission reductions significantly reduced ΔNd(NH‐SH) and provide strong observational evidence that anthropogenic activities have extensively altered liquid clouds in the NH in the last two decades.
Quantify the Coupled GEFS Forecast Uncertainty for the Weather and Subseasonal Prediction
Authors: Zhu Yuejian , Fu Bing , Yang Bo , Guan Hong , Sinsky Eric , Li Wei , Peng Jiayi , Xue Xianwu , Hou Dingchen , Liang Xin‐Zhong , Shin Sanghoon
Published: January 2023

The Global Ensemble Forecast System version 12 (GEFSv12) has been implemented into National Centers For Environmental Prediction operations since September 2020, which was uncoupled, but increased the horizontal resolution from 34 to 25 km, increased ensemble members from 21 to 31, and extended forecasts from 16 to 35 days. It significantly improved probabilistic forecast skills in many categories, such as precipitation, tropical storms, Madden‐Julian Oscillation (MJO), etc. The improvements resulted from many aspects, including model resolution increase, dynamical core upgrade, advances in hybrid data assimilation and physical parameterizations, and more importantly, from using new stochastic schemes to improve forecast uncertainty. To further improve GEFS's sub‐seasonal forecast skill, a coupled GEFS was built up on the Unified Forecast System prototype version 5 that fully couples an atmospheric model with a land surface model, ocean model, ice model, and wave model. A set of coupled GEFS experiments were conducted to test different horizontal resolutions at approximately 50 and 25 km while adjusting the stochastic parameterization schemes for the atmosphere to better represent forecast uncertainties. The experiments were run for a 2‐year period from October 2017 to September 2019, with one initialization per week at Wednesday 00 UTC, 11 ensemble members, and were forecasted out to 35 days. The coupled GEFS significantly improves 500 hPa height anomaly correlation in week‐1, week‐2, and MJO skills compared to the current operational forecast. The forecast spread of tropical wind is greatly reduced by improved stochastic schemes and matches well with the forecast root mean square errors. The correlation of forecast error variance and ensemble variance is improved for the coupled GEFSs. Meanwhile, the spread of MJO has been greatly reduced for the coupled GEFSs to improve the MJO forecast uncertainty.
River Corridor Sources Dominate CO2 Emissions From a Lowland River Network
Authors: Kirk Lily , Cohen Matthew J.
Published: January 2023

Rivers and streams are control points for CO2 emission to the air (fCO2), with emission rates often exceeding internal metabolism (net ecosystem production, NEP). The difference is usually attributed to CO2‐supersaturated groundwater inputs from upland soil respiration and rock weathering, but this implies a terrestrial‐to‐aquatic C transfer greater than estimated by terrestrial mass balance. One explanation is that riparian zones—rich in organic and inorganic C but mostly neglected in terrestrial mass balances—contribute disproportionately to fCO2. To test this hypothesis, we measured fCO2, NEP, and the lateral CO2 contributions from both terrestrial uplands (TER) and riparian wetlands (RIP) for seven reaches in a lowland river network in Florida, USA. NEP contributed about half of fCO2, but the remaining CO2 emission was generally much larger than measured TER. The relative importance of RIP versus TER varied markedly between contrasting hydrogeologic settings: RIP contributed 49% of fCO2 where geologic confinement forced lateral drainage through riparian soils, but only 12% where unconfined karst allowed deeper groundwater flowpaths that bypassed riparian zones. On a land area basis, the narrow riparian corridor yielded far more CO2 than the terrestrial uplands (33.1 vs. 1.4 g‐C m−2 yr−1), resulting in river corridors (i.e., stream channel plus adjacent wetlands, NEP + RIP) sourcing 87% of fCO2 to streams. Our findings imply that true terrestrial CO2 subsidies to streams may be smaller than previously estimated by aquatic mass balance and highlight the importance of explicitly integrating riparian zones into the conceptual model for terrestrial‐to‐aquatic C transfer.
WellSTIC: A Cost‐Effective Sensor for Performing Point Dilution Tests to Measure Groundwater Velocity in Shallow Aquifers
Authors: Perzan Z. , Chapin T.
Published: January 2023

Many individual measurement points are required to characterize groundwater velocity within an aquifer. Groundwater velocity is most commonly measured using a network of >5 cm diameter monitoring wells, which, if not already present at a site, are expensive and labor‐intensive to install. Drive‐point piezometers—simple, cost‐effective wells that can be installed by hand—are a common tool for sampling groundwater in shallow, alluvial aquifers, but most groundwater velocity measurement techniques require equipment that is too large for these narrow (usually <2 cm inside diameter) piezometers. In this technical note, we introduce a low‐cost sensor and well packer system (<$90 USD) for performing point dilution tests in narrow piezometers. Field data show that the magnitude of groundwater velocity measured with this technique agrees with velocities computed from natural gradient tracer tests. Additionally, with proper calibration, these sensors can be used to continuously monitor in‐well specific conductance, either during inter‐well tracer tests with saline tracers or for water quality monitoring. This system is a viable tool for rapid assessment of the magnitude of groundwater velocity in shallow aquifers.
Hippocampal volume and cognitive performance in children with congenital heart disease
Authors: Naef Nadja , Ciernik Amélie , Latal Beatrice , Liamlahi Rabia ,   For the Children’s Heart and Development Research Group
Published: January 2023

Background

Congenital heart disease (CHD) is associated with an increased risk of brain abnormalities. Studies indicate a particular vulnerability of the hippocampus to hypoxia and inflammation. Yet, information regarding the hippocampus and its relation to cognitive function in school-age children with CHD remains scarce.

Methods

Children who underwent cardiopulmonary bypass surgery for CHD (N = 17) and healthy controls (N = 14) at 10 years of age underwent neurodevelopmental assessment and cerebral magnetic resonance imaging to measure IQ, working memory performance and hippocampal volume.

Results

IQ was significantly lower in children with CHD compared to controls (98 vs 112,P = 0.02). Children with CHD showed worse working memory performance with significantly lower scores in the letter-number sequencing test (P = 0.02). After adjusting for total brain volume, hippocampal volume was smaller in children with CHD compared to controls (P < 0.01). Smaller hippocampal volume was associated with lower IQ (P = 0.04), and digit span scaled score (P = 0.03), but not with other working memory tests (P > 0.1).

Conclusion

This study suggests that the hippocampus may be particularly susceptible in children with CHD thereby contributing to cognitive impairments. Further research is necessary to understand the contribution of the hippocampus to cognitive impairments in children with CHD.

Impact

IQ is significantly lower in school-age children with congenital heart disease compared to controls.

Working memory performance seems to be worse in children with congenital heart disease.

Smaller hippocampal volume is associated with lower IQ and seems to be associated with lower working memory performance.

The study adds knowledge on the etiology of cognitive impairments in school-age children with congenital heart disease.
Use of serial smartphone-based assessments to characterize diverse neuropsychiatric symptom trajectories in a large trauma survivor cohort
Authors: Beaudoin Francesca L. , An Xinming , Basu Archana , Ji Yinyao , Liu Mochuan , Kessler Ronald C. , Doughtery Robert F. , Zeng Donglin , Bollen Kenneth A. , House Stacey L. , Stevens Jennifer S. , Neylan Thomas C. , Clifford Gari D. , Jovanovic Tanja , Linnstaedt Sarah D. , Germine Laura T. , Rauch Scott L. , Haran John P. , Storrow Alan B. , Lewandowski Christopher , Musey Paul I. , Hendry Phyllis L. , Sheikh Sophia , Jones Christopher W. , Punches Brittany E. , Kurz Michael C. , Swor Robert A. , Murty Vishnu P. , McGrath Meghan E. , Hudak Lauren A. , Pascual Jose L. , Datner Elizabeth M. , Chang Anna M. , Pearson Claire , Peak David A. , Merchant Roland C. , Domeier Robert M. , Rathlev Niels K. , Neil Brian J. O’ , Sergot Paulina , Sanchez Leon D. , Bruce Steven E. , Baker Justin T. , Joormann Jutta , Miller Mark W. , Pietrzak Robert H. , Barch Deanna M. , Pizzagalli Diego A. , Sheridan John F. , Smoller Jordan W. , Harte Steven E. , Elliott James M. , Koenen Karestan C. , Ressler Kerry J. , McLean Samuel A.
Published: January 2023

The authors sought to characterize adverse posttraumatic neuropsychiatric sequelae (APNS) symptom trajectories across ten symptom domains (pain, depression, sleep, nightmares, avoidance, re-experiencing, anxiety, hyperarousal, somatic, and mental/fatigue symptoms) in a large, diverse, understudied sample of motor vehicle collision (MVC) survivors. More than two thousand MVC survivors were enrolled in the emergency department (ED) and completed a rotating battery of brief smartphone-based surveys over a 2-month period. Measurement models developed from survey item responses were used in latent growth curve/mixture modeling to characterize homogeneous symptom trajectories. Associations between individual trajectories and pre-trauma and peritraumatic characteristics and traditional outcomes were compared, along with associations within and between trajectories. APNS across all ten symptom domains were common in the first two months after trauma. Many risk factors and associations with high symptom burden trajectories were shared across domains. Both across and within traditional diagnostic boundaries, APNS trajectory intercepts, and slopes were substantially correlated. Across all domains, symptom severity in the immediate aftermath of trauma (trajectory intercepts) had the greatest influence on the outcome. An interactive data visualization tool was developed to allow readers to explore relationships of interest between individual characteristics, symptom trajectories, and traditional outcomes (http://itr.med.unc.edu/aurora/parcoord/). Individuals presenting to the ED after MVC commonly experience a broad constellation of adverse posttraumatic symptoms. Many risk factors for diverse APNS are shared. Individuals diagnosed with a single traditional outcome should be screened for others. The utility of multidimensional categorizations that characterize individuals across traditional diagnostic domains should be explored.
Early response evaluation by single cell signaling profiling in acute myeloid leukemia
Authors: Tislevoll Benedicte Sjo , Hellesøy Monica , Fagerholt Oda Helen Eck , Gullaksen Stein-Erik , Srivastava Aashish , Birkeland Even , Kleftogiannis Dimitrios , Ayuda-Durán Pilar , Piechaczyk Laure , Tadele Dagim Shiferaw , Skavland Jørn , Baliakas Panagotis , Hovland Randi , Andresen Vibeke , Seternes Ole Morten , Tvedt Tor Henrik Anderson , Aghaeepour Nima , Gavasso Sonia , Porkka Kimmo , Jonassen Inge , Fløisand Yngvar , Enserink Jorrit , Blaser Nello , Gjertsen Bjørn Tore
Published: January 2023

Aberrant pro-survival signaling is a hallmark of cancer cells, but the response to chemotherapy is poorly understood. In this study, we investigate the initial signaling response to standard induction chemotherapy in a cohort of 32 acute myeloid leukemia (AML) patients, using 36-dimensional mass cytometry. Through supervised and unsupervised machine learning approaches, we find that reduction of extracellular-signal-regulated kinase (ERK) 1/2 and p38 mitogen-activated protein kinase (MAPK) phosphorylation in the myeloid cell compartment 24 h post-chemotherapy is a significant predictor of patient 5-year overall survival in this cohort. Validation by RNA sequencing shows induction of MAPK target gene expression in patients with high phospho-ERK1/2 24 h post-chemotherapy, while proteomics confirm an increase of the p38 prime target MAPK activated protein kinase 2 (MAPKAPK2). In this study, we demonstrate that mass cytometry can be a valuable tool for early response evaluation in AML and elucidate the potential of functional signaling analyses in precision oncology diagnostics.
One-dimensional semimetal contacts to two-dimensional semiconductors
Authors: Li Xuanzhang , Wei Yang , Wang Zhijie , Kong Ya , Su Yipeng , Lu Gaotian , Mei Zhen , Su Yi , Zhang Guangqi , Xiao Jianhua , Liang Liang , Li Jia , Li Qunqing , Zhang Jin , Fan Shoushan , Zhang Yuegang
Published: January 2023

Two-dimensional (2D) semiconductors are promising in channel length scaling of field-effect transistors (FETs) due to their excellent gate electrostatics. However, scaling of their contact length still remains a significant challenge because of the sharply raised contact resistance and the deteriorated metal conductivity at nanoscale. Here, we construct a 1D semimetal-2D semiconductor contact by employing single-walled carbon nanotube electrodes, which can push the contact length into the sub-2 nm region. Such 1D–2D heterostructures exhibit smaller van der Waals gaps than the 2D–2D ones, while the Schottky barrier height can be effectively tuned via gate potential to achieve Ohmic contact. We propose a longitudinal transmission line model for analyzing the potential and current distribution of devices in short contact limit, and use it to extract the 1D–2D contact resistivity which is as low as 10−6 Ω·cm2 for the ultra-short contacts. We further demonstrate that the semimetal nanotubes with gate-tunable work function could form good contacts to various 2D semiconductors including MoS2, WS2 and WSe2. The study on 1D semimetal contact provides a basis for further miniaturization of nanoelectronics in the future.
Steering from electrochemical denitrification to ammonia synthesis
Authors: Li Huan , Long Jun , Jing Huijuan , Xiao Jianping
Published: January 2023

The removal of nitric oxide is an important environmental issue, as well as a necessary prerequisite for achieving high efficiency of CO2 electroreduction. To this end, the electrocatalytic denitrification is a sustainable route. Herein, we employ reaction phase diagram to analyze the evolution of reaction mechanisms over varying catalysts and study the potential/pH effects over Pd and Cu. We find the low N2 selectivity compared to N2O production, consistent with a set of experiments, is limited fundamentally by two factors. The N2OH* binding is relatively weak over transition metals, resulting in the low rate of as-produced N2O* protonation. The strong correlation of OH* and O* binding energies limits the route of N2O* dissociation. Although the experimental conditions of varying potential, pH and NO pressures can tune the selectivity slightly, which are insufficient to promote N2 selectivity beyond N2O and NH3. A possible solution is to design catalysts with exceptions to break the scaling characters of energies. Alternatively, we propose a reverse route with the target of decentralized ammonia synthesis.
Creating bulk ultrastable glasses by random particle bonding
Authors: Ozawa Misaki , Iwashita Yasutaka , Kob Walter , Zamponi Francesco
Published: January 2023

A recent breakthrough in glass science has been the synthesis of ultrastable glasses via physical vapor deposition techniques. These samples display enhanced thermodynamic, kinetic and mechanical stability, with important implications for fundamental science and technological applications. However, the vapor deposition technique is limited to atomic, polymer and organic glass-formers and is only able to produce thin film samples. Here, we propose a novel approach to generate ultrastable glassy configurations in the bulk, via random particle bonding, and using computer simulations we show that this method does indeed allow for the production of ultrastable glasses. Our technique is in principle applicable to any molecular or soft matter system, such as colloidal particles with tunable bonding interactions, thus opening the way to the design of a large class of ultrastable glasses.
Machine-learning atomic simulation for heterogeneous catalysis
Authors: Chen Dongxiao , Shang Cheng , Liu Zhi-Pan
Published: January 2023

Heterogeneous catalysis is at the heart of chemistry. New theoretical methods based on machine learning (ML) techniques that emerged in recent years provide a new avenue to disclose the structures and reaction in complex catalytic systems. Here we review briefly the history of atomic simulations in catalysis and then focus on the recent trend shifting toward ML potential calculations. The advanced methods developed by our group are outlined to illustrate how complex structures and reaction networks can be resolved using the ML potential in combination with efficient global optimization methods. The future of atomic simulation in catalysis is outlooked.
Higher-order oscillatory planar Hall effect in topological kagome metal
Authors: Li Leyi , Yi Enkui , Wang Bin , Yu Guoqiang , Shen Bing , Yan Zhongbo , Wang Meng
Published: January 2023

Exploration of exotic transport behavior for quantum materials is of great interest and importance for revealing exotic orders to bring new physics. In this work, we report the observation of unconventional prominent planar Hall effect (PHE) and planar anisotropic magnetoresistivity (PAMR) in strange kagome metal KV3Sb5. The PHE and PAMR, which are driven by an in-plane magnetic field and display sharp difference from other Hall effects driven by an out-of-plane magnetic field or magnetization, exhibit exotic higher-order oscillations in sharp contrast to those following empirical rule only allowing two-fold symmetrical oscillations. These higher-order oscillations exhibit strong field and temperature dependence and vanish around charge density wave (CDW) transition. The unique transport properties suggest a significant interplay of the lattice, magnetic and electronic structure in KV3Sb5. This interplay can couple the hidden anisotropy and transport electrons leading to the unconventional PHE and PAMR in contrast to other materials.
A large database linking the rumen bacterial composition and milk traits in Lacaune sheep
Authors: Martinez Boggio Guillermo , Marie-Etancelin Christel , Menras Jean-Marie , Tomas Regis , Chemit Marie-Luce , Gabinaud Béatrice , Pascal Géraldine , Meynadier Annabelle
Published: January 2023

Ruminants are able to produce food for human consumption from plants, thanks to rumen bacteria. Bacteria are able to transform feed to microbial proteins and to biohydrogenate unsaturated fatty acids, contributing directly to fine milk composition. The database consists of daily records of milk yield, somatic cell score and 17 milk components such as fatty acids and proteins from 795 Lacaune dairy ewes. Ruminal samples were extracted from ewes using a gastric tube and sequenced to determine the bacterial composition by metabarcoding 16S rRNA gene on a next-generation sequencing platform. From bioinformatics analysis, 9,536,442 sequences were retained and re-grouped into 2,059 affiliated OTUs, represented by 751 to 168,617 sequences. Overall, 2,059 OTUs from 795 samples were attributed to 11 phyla. The most representative phyla were Bacteroidota (50.6%) and Firmicutes (43.6%), and the most abundant families were Prevotellaceae (37.9%), Lachnospiraceae (18.1%), Ruminococcaceae (8.97%). Both shared datasets will be useful for researchers to study the link between rumen bacteria and milk traits and to propose solutions to improve animal production and health.
Increased expression of TBC1D10B as a potential prognostic and immunotherapy relevant biomarker in liver hepatocellular carcinoma
Authors: Fan Li , Tang Yongmei , Li Jingjing , Huang Wenjie
Published: January 2023

The TBC1 domain family member 10B (EPI64B/TBC1D10B), a member of the RabGAP EPI64 subfamily, contains a TBC domain that confers GTPase-activating protein activity. Even though overexpression of TBC1D10B has been reported to promote tumor invasion and metastasis in gastric adenocarcinoma, the prognostic value of TBC1D10B and its correlation with DNA methylation and immune infiltration in hepatocellular carcinoma are still not known. Transcriptional expression profiles of TBC1D10B between hepatocellular carcinoma tissues and normal tissues were downloaded from The Cancer Genome Atlas and Gene Expression Omnibus. The Clinical Proteomic Tumor Analysis Consortium and the Human Protein Atlas were used to assess the TBC1D10B protein expression. The biological functions of TBC1D10B were evaluated by the Metascape database and by Gene Set Enrichment Analysis (GSEA). Receiver operating characteristic (ROC) curve analysis was used to distinguish hepatocellular carcinoma from adjacent normal tissues. The effect of TBC1D10B on survival was estimated using the Kaplan–Meier method. DNA methylation in the TBC1D10B gene was assessed using the online MEXPRESS and MethSurv tools. The association between TBC1D10B mRNA expression and immune cell infiltration was investigated by the TIMER2 web server, tumor immune estimation resource and single-sample GSEA. This study found that TBC1D10B is highly expressed in hepatocellular carcinoma and that increased TBC1D10B mRNA expression is associated with female sex, lower Body Mass Index, high level of alpha fetal protein, and worse clinical stages. The mRNA and protein levels of TBC1D10B were verified in cells. Functional annotation indicated enrichment with negative regulation of the cell cycle, extracellular matrix, and corresponding pathways in the high-TBC1D10B phenotype. The ROC curve analysis showed that, with a cutoff level of 2.912, the accuracy, sensitive, and specificity in differentiate TBC1D10B hepatocellular carcinoma from adjacent controls were 0.931, 0.920, and 0.802, respectively. Kaplan–Meier survival analysis showed that hepatocellular carcinoma patients with high TBC1D10B had a worse prognosis than those with low TBC1D10B, especially in patients with a weight below 70 kg, height above 170 cm, and histological G2 and G3. We also found that the methylation of TBC1D10B was associated with the prognosis in patients with hepatocellular carcinoma. Moreover, correlation analysis indicated that TBC1D10B mRNA expression was positively correlated with infiltration levels of most immune cells, but negatively correlated with Th17 and cytotoxic cells infiltration. Our study indicates that increased TBC1D10B expression in hepatocellular carcinoma may play a role in tumorigenesis by regulating the cell cycle and extracellular matrix. TBC1D10B may be a novel prognostic and predictive marker and immune therapeutic target in hepatocellular carcinoma patients.
Prognostic value of pretherapeutic FDG PET/CT in non-small cell lung cancer with pulmonary lymphangitic carcinomatosis
Authors: Park Yong-Jin , Im Yunjoo , Kwon O. Jung , Han Joungho , Ahn Myung-Ju , Kim Jhingook , Um Sang-Won , Choi Joon Young
Published: January 2023

Pulmonary lymphangitic carcinomatosis (PLC) is associated with a poor prognosis in patients with non-small cell lung cancer (NSCLC). We sought to determine prognostic value of pretherapeutic fluorine-18-fluorodeoxyglucose (FDG) positron emission tomography (PET)/computed tomography (CT) in NSCLC with radiologically diagnosed PLC. We retrospectively reviewed 50 NSCLC patients with radiologically diagnosed PLC. Among eight clinical variables and five imaging parameters, metabolic PLC burden, which represents the overall tumor burden of PLC, and cPLC, which represents the location and extent of PLC in a three-grade system, were used. In multivariate analyses for progression-free survival, metabolic PLC burden (P = 0.0181), cPLC (P = 0.0401), and clinical stage (P = 0.0284) were identified as independent prognostic factors. High metabolic PLC burden had a worse prognosis, and the prognosis of cPLC3 was significantly worse than that of cPLC1 or cPLC2. In univariate analyses for overall survival, only age (P = 0.0073) was identified a prognostic factor. In conclusion, FDG PET/CT parameters were identified as independent prognostic factors in NSCLC with radiologically diagnosed PLC. Furthermore, a combination of anatomical and metabolic information about PLC obtained using FDG PET/CT provides insight into the overall tumor burden of PLC and is useful in predicting prognosis.
Role of microRNA in hydroxyurea mediated HbF induction in sickle cell anaemia patients
Authors: Kargutkar Neha , Sawant-Mulay Madhavi , Hariharan Priya , Chandrakala S. , Nadkarni Anita
Published: January 2023

Hydroxyurea (HU) is found to be beneficial in sickle cell anaemia (SCA) patients, due to its ability to increase foetal haemoglobin (HbF), however, patients show a variable response. Differences in HbF levels are attributed to many factors; but, the role of miRNA in HbF regulation is sparsely investigated. In this study, we evaluated the effect of miRNA expression on HbF induction in relation to hydroxyurea therapy in 30 normal controls, 30 SCA patients at baseline, 20 patients after 3 and 6 months of hydroxyurea (HU) therapy. HbF levels were measured by HPLC. Total RNA and miRNA were extracted from CD71+ erythroid cells and the expression was determined using Taqman probes. The mean HbF level increased 7.54 ± 2.44 fold, after 3 months of HU therapy. After the HU therapy 8 miRNAs were significantly up-regulated while 2 were down-regulated. The increase in miR-210, miR16-1, and miR-29a expression and decrease in miR-96 expression were strongly associated with the HU mediated HbF induction. Post HU therapy, decreased miR-96 expression negatively correlate with HbF and γ-globin gene while increased expression of miR-210, miR-16-1 and miR-29a post HU therapy positively corelate with HbF and γ-globin gene. Thus, suggest that miR-210, miR-16-1 and miR-29a are positive regulator of γ-globin gene and miR-96 is negative regulator of γ-globin gene. The study suggests the role of miR-210, miR16-1, miR-29a, and miR-96 in γ-globin gene regulation leading to HbF induction. Identification of the relevant protein targets might be useful for understanding the HU mediated HbF induction.
Seasonal dynamics of a complex cheilostome bryozoan symbiosis: vertical transfer challenged
Authors: Bogdanov E. A. , Vishnyakov A. E. , Kotenko O. N. , Grischenko A. V. , Letarov A. V. , Ostrovsky A. N.
Published: January 2023

Symbiotic associations are dynamic systems influenced by both intrinsic and extrinsic factors. Here we describe for the first time the developmental and seasonal changes of the funicular bodies in the bryozoan Dendrobeania fruticosa, which are unique temporary organs of cheilostome bryozoans containing prokaryotic symbionts. Histological and ultrastructural studies showed that these organs undergo strong seasonal modification in the White Sea during the ice-free period. Initially (in June) they play a trophic function and support the development of a large population of bacteria. From June to September, both funicular bodies and bacteria show signs of degradation accompanied by development of presumed virus-like particles (VLPs); these self-organize to hollow spheres inside bacteria and are also detected outside of them. Although the destruction of bacteria coincides with the development of VLPs and spheres, the general picture differs considerably from the known instances of bacteriophagy in bryozoans. We broadly discuss potential routes of bacterial infection in Bryozoa and question the hypothesis of vertical transfer, which, although widely accepted in the literature, is contradicted by molecular, morphological and ecological evidence.
Bacterial sensitivity to chlorhexidine and povidone-iodine antiseptics over time: a systematic review and meta-analysis of human-derived data
Authors: Aftab Raiyyan , Dodhia Vikash H. , Jeanes Christopher , Wade Ryckie G.
Published: January 2023

Surgical site infection (SSI) is the most common complication of surgery, increasing healthcare costs and hospital stay. Chlorhexidine (CHX) and povidone-iodine (PVI) are used for skin antisepsis, minimising SSIs. There is concern that  resistance to topical biocides may be emergeing, although the potential clinical implications remain unclear. The objective of this systematic review was to determine whether the minimum bactericidal concentration (MBC) of topical preparations of CHX or PVI have changed over time, in microbes relevant to SSI. We included studies reporting the MBC of laboratory and clinical isolates of common microbes to CHX and PVI. We excluded studies using non-human samples and antimicrobial solvents or mixtures with other active substances. MBC was pooled in random effects meta-analyses and the change in MBC over time was explored using meta-regression. Seventy-nine studies were included, analysing 6218 microbes over 45 years. Most studies investigated CHX (93%), with insufficient data for meta-analysis of PVI. There was no change in the MBC of CHX to Staphylococci or Streptococci over time. Overall, we find no evidence of reduced susceptibility of common SSI-causing microbes to CHX over time. This provides reassurance and confidence in the worldwide guidance that CHX should remain the first-choice agent for surgical skin antisepsis.
Cross-cultural patterns in mobile playtime: an analysis of 118 billion hours of human data
Authors: Zendle David , Flick Catherine , Halgarth Darel , Ballou Nick , Demediuk Simon , Drachen Anders
Published: January 2023

Despite the prevalence of gaming as a human activity, the literature on playtime is uninformed by large-scale, high-quality data. This has led to an evidence-base in which the existence of specific cultural gaming cultures (e.g. exceptional levels of gaming in East Asian nations) are not well-supported by evidence. Here we address this evidence gap by conducting the world’s first large-scale investigation of cross-cultural differences in mobile gaming via telemetry analysis. Our data cover 118 billion hours of playtime occurring in 214 countries and regions between October 2020 and October 2021. A cluster analysis establishes a data-driven set of cross-cultural groupings that describe differences in how the world plays mobile games. Despite contemporary arguments regarding Asian exceptionalism in terms of playtime, analysis shows that many East Asian countries (e.g., China) were not highly differentiated from most high-GDP Northern European nations across several measures of play. Instead, a range of previously unstudied and highly differentiated cross-cultural clusters emerged from the data and are presented here, showcasing the diversity of global gaming.
Nanostructure and nanoindentation study of pulse electric-current sintered TiB2–SiC–Cf composite
Authors: Shokouhimehr Mohammadreza , Delbari Seyed Ali , Namini Abbas Sabahi , Taghizadeh Ehsan , Jung Sunghoon , Cho Jin Hyuk , Van Le Quyet , Cha Joo Hwan , Kim Soo Young , Jang Ho Won
Published: January 2023

A carbon-fiber (Cf) doped TiB2–SiC composite was prepared and investigated to determine its densification behavior, micro/nanostructural properties, and mechanical characteristics. TiB2–25 vol% SiC–2 wt% Cf was prepared at 40 MPa and 1800 °C for 7 min using the pulsed electric-current sintering technique, and a relative density of 98.5% was realized. The as-sintered composite was characterized using advanced techniques, e.g., X-ray diffractometry, energy-dispersive X-ray spectroscopy, X-ray photoelectron spectroscopy, field-emission scanning electron microscopy, high-resolution transmission electron microscopy, field-emission electron probe micro-analysis, and nanoindentation. The Cf additive could remove the surface oxide layers from the TiB2 and SiC domains, thus transforming them into TiB2 and SiC. According to micro/nanostructural studies, Cf could not retain its initial structure and was eventually converted into graphite nanosheets. In addition, the prepared composite was examined using the nanoindentation technique, and the following results were obtained for the calculated hardness, elastic modulus, and stiffness values: TiB2 > SiC > TiB2/SiC interface.
A mathematical analysis of mass transfer phenomena with chemical reaction over the flow of Sisko ferronanofluid across a permeable surface
Authors: Saritha K. , Muthusami R. , Manikandan N. , Nagaprasad N. , Ramaswamy Krishnaraj
Published: January 2023

Mathematically study mass transfer phenomena involving chemical reactions in the flow of Sisko Ferro nanofluids through the porous surface. Three ferronano particles, manganese-zinc ferrite (Mn1/2Zn1/2Fe2O4), cobalt ferrite (CoFe2O4), and nickel–zinc ferrite (Ni–Zn Fe2O4) are considered with water (H2O) and ethylene glycol (C2H6O2) as base liquids. Appropriate resemblance transitions are used to convert the governing system of a nonlinear PDE to a linear ODE. The Runge–Kutta method, as extended by the shooting technique, is used to accomplish the reduction governing equations. The effects of various associated parameters on fluid concentration and mass transfer rate are investigated: magnetic criterion (M), Siskofluid material factor (A), Solid volume fraction (ϕ) for nanofluids, permeability parameter (Rp), Chemical reaction criterion (γ), Brownian motion factor (Nb), and Thermophoretic parameters (Nt). The current findings indicate that the diffusion proportion of Sisko Ferronanofluid Ni–Zn Fe2O4–H2O and CoFe2O4–H2O is higher than that of Ni–Zn Fe2O4–C2H6O2 and CoFe2O4–C2H6O2 respectively but it is opposite in the case of Mn–Zn ferrite. The comparison study was carried out to validate the precision of the findings.