bluuebunny/crossref_metadata_2025_split huggingface dataset:
Computational Discovery of Active and Selective Metal‐Nitrogen‐Graphene Catalysts for Electrooxidation of Water to H2O2
Authors: Chaudhary Payal , Evazzade Iman , Belosludov Rodion , Alexandrov Vitaly 
Published: March 2023

AbstractA direct electrosynthesis of H2O2 from either O2 or H2O is an attractive strategy to replace the energy‐intensive industrial anthraquinone process. Two‐electron water oxidation reaction (2e‐WOR) offers several advantages over the oxygen reduction reaction such as better mass transfer due to the absence of gas‐phase reactants. However, 2e‐WOR is a more challenging and less studied process with only a handful of metal oxides exhibiting reasonable activity/selectivity properties. Herein, we employ density‐functional‐theory calculations to screen a variety of metal‐nitrogen‐graphene structures for 2e‐WOR. As a consequence of scaling between the adsorption energies of reaction intermediates, we determine a linear relation between selectivities for the first and second reaction steps of 2e‐WOR, viz. that if selectivity toward adsorbed OH is improved, then selectivity toward H2O2 at the subsequent step is decreased. We also find that selectivity and activity are linearly scaled in such a way that a higher activity (i. e., a lower overpotential) leads to a lower selectivity for the H2O2 formation step. Based on the obtained results several chemistries, e. g., containing NiNx−C moieties, are predicted to rival the best‐performing metal oxides such as ZnO and CaSnO3 in terms of combination of their activity/selectivity characteristics for 2e‐WOR.
Linking PM10 and PM2.5 Pollution Concentration through Tree Coverage in Urban Areas
Authors: Sierra‐Porta David , Solano‐Correa Yady Tatiana , Tarazona‐Alvarado Miguel , de Villavicencio Luis Alberto Nuñez 
Published: March 2023

AbstractParticulate matter, PM10 and PM2.5, represents common air pollutants in cities and constitute a considerable threat to public health impacting daily activity of people living in city. In large cities, the main sources of PM10 and PM2.5 are diesel engine exhaust, brake dust, and particulate matter from vehicle tires. These particles can be deposited, filtered, and considerably reduced if there is a vegetative surface in the neighborhoods, thus eliminating a part of these particles and reducing their harmful footprint. This study evaluates the effect of tree coverage in urban areas on PM10 and PM2.5 removal considering air quality monitoring stations. Estimation of tree coverage is made by using high spatial and temporal resolution satellite images from Planet constellations. An empirical relationship between these two variables, with an acceptable correlation (R2 = 0.478 and R2 = 0.589 for PM10 and PM2.5, respectively), is obtained. A higher abundance of green space is associated with significantly lower PM10 and PM2.5 values. Preliminary results suggest that the amount of tree coverage do cause some degree of air quality improvement and can be used to inform national clean air strategies aimed at reducing pollutant emissions.
Modeling of Aquatic Ecosystem Dynamics in a Run‐of‐River Reservoir in the Brazil
Authors: Salla Marcio Ricardo , Alamy Filho José Eduardo , Pereira Carlos Eugênio 
Published: March 2023

AbstractThe maximum specific pollutant loads of nutrients and carbonaceous organic matter of the effluent—in an initially oligotrophic or mesotrophic state artificial run‐of‐river reservoir—should be studied in order to serve as a basis for future hydroelectric in tropical regions. Two different hydrological scenarios in the central tropical region of Brazil are analyzed; a historical and a synthetic one. The maximum specific load that the artificial run‐of‐river reservoir of a hydroelectric power plant supports is evaluated in order to meet the environmental limits defined by national resolution. An analysis of lateral and vertical dispersion between epilimnion and hypolimnion is performed. The maximum permissible loads for the historical hydrological scenario with a long‐term average flow of 247.2 m3 s−1 are 70.017 kg BOD hm−3 d−1, 0.131 kg Ptotal hm−3 d−1, and 2.626 kg Ntotal hm−3 d−1. For the synthetic hydrological scenario with a long‐term average flow equaling 140.4 m3 s−1, the maximum permissible loads are 55.576 kg BOD hm−3 d−1, 0.096 kg Ptotal hm−3 d−1, and 1.925 kg Ntotal hm−3 d−1. The proposal of this study is to provide an aid to the decision‐making process of environmental managers and consultants in artificial run‐of‐river reservoirs in tropical regions with similar hydrological regimes.
Organics and Nutrient Transformation in a Microbial Fuel Cell Influenced by Antibiotics
Authors: Tariq Madiha , Wang Jin , Sehar Shama , Bhatti Zulfiqar Ahmad , Malik Adeel Jalal , Zeb Bibi Saima , Shaheen Shahida , Mahmood Qaisar 
Published: March 2023

AbstractThe present research focuses on the effect of the highly toxic and broad‐spectrum bacteriostatic antibiotic pollutant, tetracycline (TC) as a sole electron donor and co‐electron donor on the operational efficacy of a microbial fuel cell (MFC) in terms of nutrient and pollutants removal. It is observed that the removal efficiency of the MFC increases by the gradual increase in TC concentration (5–30 mg L−1). The maximum removal efficiency (59%), voltage production (372 mV), power density (81.4 mW m−2), and current density (232.5 mA m−2) are achieved in the MFC with 25 mg L−1 of TC. Moreover, the influential role of TC as a co‐substrate is also investigated using three substrates viz, acetic acid, sucrose, and albumin. The current results suggest that chemical oxygen demand (COD) removal efficiency, coulombic efficiency, and voltage output of each substrate are inversely proportional to the amount of TC and are in the order of acetic acid > sucrose > albumin. The nutrient removal efficiency of the MFC decreases with an increase in TC concentration, i.e., when TC is increased from 10 to 50 mg L−1, the nitrogen removal efficiency decreases from 78% to 38%, the sulfur removal efficiency decreases from 79% to 32%, and the phosphorous removal efficiency decreases from 72% to 24%. The results suggest that an MFC can be upgraded for large‐scale biological processes for antibiotic pollutant removal. Moreover, the adverse effect of TC in power generation of an MFC can serve as a biosensor for biological wastewater treatment processes to detect the antibiotic toxicity.
Tracing Saltwater Intrusion into Shallow Mangrove Aquifers Using Hydrogeochemical Analysis and Isotopes of Oxygen and Hydrogen
Authors: Ohwoghere‐Asuma Oghenero 
Published: March 2023

AbstractCoastal aquifers that are hydraulically connected to the ocean suffer from the compromised of the wholesomeness of freshwater. The extent of the effect is largely dependent on the degree of aquifer stressing. Consequently, ratios of the stable isotopes of hydrogen (δ2H) and oxygen (δ18O) are integrated with ionic ratios of groundwater samples to assess the effect of intrusion on shallow aquifers in a low‐lying area of the western Niger Delta basin. Geochemical analysis shows sodium chloride (NaCl) water type, an indication that intrusion has a noteworthy effect on concentrations of groundwater by having values of total dissolved solids, electrical conductivity, and Cl− in excess of 1000, 500, and 250 mg L−1, respectively. Major ionic ratios of Na+/Cl− (0.06–1.76), Ca2+/Mg2+ (0.48–0.98), Cl−/HCO3− (148.77– 88), Cl−/HCO3− + SO42− (>1), and base exchange index (14.03 to 1.26) are largely indicative of intrusion. The δ18O and δ2H composition of groundwater and the brackish Forcados River samples reveal values that range from −4.2‰ to 1.08‰ and 0.18‰ to 3.8‰, respectively. The shallow groundwater samples are more depleted than the deep aquifers with δ18O values of −4.2‰ to −3.8‰ and δ2H of −20.99‰ to 18.51‰, respectively. The Cl−/δ18O ratios show the mixing of shallow aquifers with saltwater (SW) from the ocean.
Reinforcement learning and neuro‐fuzzy GNN‐based vertical handover decision on internet of vehicles
Authors: Pramod Kumar P. , Sagar K. 
Published: March 2023

SummaryThe Internet of Vehicles (IoV) has become a lot of concern for scientific society because of its rising importance in creating an intelligent transportation system. However, the existing systems addressed handover and network selection difficulties, but they did not solve the necessity for frequent handover problems. Hence, in this research, handover decision difficulties are removed by using a novel state‐action–reward–state‐action reinforcement learning method in which it learns the current policy action to determine whether a handover decision is required in the fast‐moving vehicle therefore the handover failure problem is reduced. Moreover, the existing fuzzy rules do not consider non‐line‐of‐sight and the learning capabilities of the neural networks to select the suitable network therefore it creates network selection difficulty. Hence, the network selection difficulties are removed by using a novel fuzzy‐based graph neural network in which the fuzzy logic is connected to the graph hierarchical structure to select the right network therefore the efficient and suitable network is selected on the internet of vehicle communication. Moreover, the existing process is to select the routes completely established on the ancient broadcast history of the vehicles and their channel metrics which causes the frequent handover and poor performance of the network. Hence, the routing selection problem is eliminated by using a novel cluster‐based routing algorithm in which the vehicle was divided into clusters to select the efficient route of the internet of the vehicle therefore the best routing path is carried out. As a result, the proposed system is improving the quality of the service and reducing the handover failure and delay of the system.
Laccases from Pleurotus ostreatus Applied to the Oxidation of Furfuryl Alcohol for the Synthesis of Key Compounds for Polymer Industry
Authors: Cascelli Nicoletta , Lettera Vincenzo , Sannia Giovanni , Gotor‐Fernández Vicente , Lavandera Iván 
Published: March 2023

AbstractLaccases are oxidative enzymes with high synthetic potential. In this work, their value in biocatalysis is shown through the green and selective oxidation of furfuryl alcohol into furfural with the aid of mediators. The influence of different parameters, such as pH, enzyme/mediator composition, buffer type, cosolvent tolerance, and reaction times, is investigated. Under the optimal conditions, 20 mol % of TEMPO as mediator and 5.8 U mL−1 of laccases POXC and POXA1b from Pleurotus ostreatus, quantitative production of furfural is attained after 16 h. POXC laccase stands out for its ability to catalyze the reaction at pH 6.5, whereas POXA1b is notable for its high stability. Furfural conversions reach excellent values (95 %) after 72 h using only 5 mol % of TEMPO at 100 mM. Furthermore, furfuryl alcohol bioamination is achieved by employing the amine transaminase from Chromobacterium violaceum, providing furfuryl amine, a key compound for the polymer industry, through a one‐pot sequential approach.
A novel approach based on bio‐inspired efficient clustering algorithm for large‐scale heterogeneous wireless sensor networks
Authors: Lohar Lokesh , Agrawal Navneet Kumar , Gupta Prateek , Kumar Manoj , Sharma Ajay Kumar 
Published: March 2023

SummaryIn large‐scale heterogeneous wireless sensor networks (WSNs), clustering is particularly significant for lowering sensor nodes (SNs) energy consumption and creating algorithm more energy efficient. The selection of cluster heads (CHs) is a crucial task in the clustering method. In this paper, optimised K‐means clustering algorithm and optimised K‐means based modified intelligent CH selection based on BFOA for large‐scale network (lar‐OK‐MICHB) is hybridised for CH selection process. Here, we utilised the extended capabilities of OK‐MICHB algorithm for large‐scale network. Furthermore, in many applications where energy is a primary constraint, such as military surveillance and natural disaster prediction, the stability region is also a significant factor, with a longer network lifespan being a primary requirement. In the proposed approach, only the CH selection is made after every round in place of cluster and CH change as done in conventional hierarchical algorithm. The simulation results reveal that, while keeping the distributive structure of WSNs, suggested lar‐OKMIDEEC can locate real greater leftover energy nodes for selection of CH without utilising randomise or estimated procedures. Furthermore, as compared with the multi‐level MIDEEC protocol, this offers a larger stability region with 68.96% increment, more consistent selection of CH in every round, and greater packets (i.e., in numbers) received at the base station (BS) with a longer network lifetime with 327% increment.
The genetic link between systemic autoimmune disorders and temporal lobe epilepsy: A bioinformatics study
Authors: Malekpour Mahdi , Salarikia Seyed Reza , Kashkooli Mohammad , Asadi‐Pooya Ali A. 
Published: March 2023

AbstractObjectiveWe aimed to explore the underlying pathomechanisms of the comorbidity between three common systemic autoimmune disorders (SADs) [i.e., insulin‐dependent diabetes mellitus (IDDM), systemic lupus erythematosus (SLE), and rheumatoid arthritis (RA)] and temporal lobe epilepsy (TLE), using bioinformatics tools. We hypothesized that there are shared genetic variations among these four conditions.MethodsDifferent databases (DisGeNET, Harmonizome, and Enrichr) were searched to find TLE‐associated genes with variants; their single nucleotide polymorphisms (SNPs) were gathered from the literature. We also did a separate literature search using PubMed with the following keywords for original articles: “TLE” or “Temporal lobe epilepsy” AND “genetic variation,” “single nucleotide polymorphism,” “SNP,” or “genetic polymorphism.” In the next step, the SNPs associated with TLE were searched in the LitVar database to find the shared gene variations with RA, SLE, and IDDM.ResultsNinety unique SNPs were identified to be associated with TLE. LitVar search identified two SNPs that were shared between TLE and all three SADs (i.e., IDDM, SLE, and RA). The first SNP was rs16944 on the Interleukin‐1β (IL‐1β) gene. The second genetic variation was ε4 variation of apolipoprotein E (APOE) gene.SignificanceThe shared genetic variations (i.e., rs16944 on the IL‐1β gene and ε4 variation of the APOE gene) may explain the underlying pathomechanisms of the comorbidity between three common SADs (i.e., IDDM, SLE, and RA) and TLE. Exploring such shared genetic variations may help find targeted therapies for patients with TLE, especially those with drug‐resistant seizures who also have comorbid SADs.
Termination of seizures by ictal transcranial focal cortex stimulation
Authors: Hirsch Martin , Coenen Volker Arnd , Schulze‐Bonhage Andreas 
Published: March 2023

AbstractWhereas high‐level evidence exists on chronic neuromodulatory effects of different brain stimulation approaches in reducing seizure frequency, evidence for acute antiseizure effects of electrical brain stimulation during seizures is sparse. As part of an ongoing trial, we implanted a patient with a novel focal cortex stimulation (FCS) device with a Laplacian electrode placed over a precentral focal cortical dysplasia. The baseline seizure frequency was 125 per month, consisting of (i) focal aware sensory seizures that invariably progressed to uni‐ or bilateral tonic contraction and clonic jerking, and (ii) primary motor seizures. Besides an overall reduction in seizure frequency, on‐demand stimulation had an immediate effect on seizures with a sensory phase, whereby 63%‐86% of these seizures were terminated by ictal stimulation. These observations provide the first evidence that ictal self‐triggered transcranial focal cortex stimulation can significantly interfere with the progression of seizure semiology.
Optimal dome design for 700 bar hydrogen tank type IV: Hyperelliptic functions and shape factor
Authors: Tcharkhtchi Abbas , Villalonga Stéphane , Zirak Nader , Lucas Albert , Farzaneh Sedigheh , Shirinbayan Mohammadali 
Published: March 2023

AbstractThe design of 700‐bar composite tanks considering the safety factor imposes resistance to a bursting pressure greater than 1645 bars remains difficult which leads to the addition of carbon fibers. On the other hand, the specifications in terms of mass storage capacity and cost require the quantity of this same fiber to be limited. Thus, the optimal sizing of the composite remains one of the major challenges in the development of 700‐bar tanks. This study is focused on an optimum design of dome contours for 700 bar hydrogen tank type IV considering the geometrical limitations, winding condition, and the feasible direction. The study is centered on the composite part and is separated into two parts: a study of the manufacturing process (filament winding) in its fundamental aspects and a structural calculation under HyperWorks to check the mechanical strength of the composite layers and optimize their stacking and the number to ensure the holding while minimizing the mass and therefore the cost of the tank.
TaUAM3, a UDP‐Ara mutases protein, positively regulates wheat resistance to the stripe rust fungus
Authors: Huang Xueling , Bai Xingxuan , Qian Chaowei , Liu Shuai , Goher Farhan , He Fuxin , Zhao Guosen , Pei Guoliang , Zhao Hua , Wang Jianfeng , Kang Zhensheng , Guo Jun 
Published: March 2023

AbstractPlant cell walls are composed of polysaccharides such as cellulose, hemicelluloses, and pectins, whose location and function differ depending on plant type. UDP‐Ara mutases (UAMs) have been reported to play important roles in plant development and response to various plant stresses (abiotic and biotic). However, little work has been reported on UAM in wheat. In this study, we dissected the role of the UAM family member, UAM3, during the interaction between wheat and the stripe rust fungus, Puccinia striiformis f. sp. tritici (Pst), and in response to treatment with salicylic acid (SA). RNA interference (RNAi)‐based stable silencing of TaUAM3 resulted in decreased resistance to Pst fungus. In addition, CRISPR‐mediated genome editing (GE) of TaUAM3 enhanced the susceptibility of wheat to Pst or compromised disease resistance accompanied by increased fungal growth and decreased H2O2 production in plant tissues. Moreover, the transcript levels of pathogenesis‐related (PR) genes and reactive oxygen species (ROS)‐generating genes were down‐regulated in both the RNAi‐silenced and CRISPR‐edited plants, while the ROS‐scavenging gene, TaCAT3, was up‐regulated. Therefore, TaUAM3 positively regulates the resistance of wheat to Pst.
A diffusion‐equation based kernel function for smoothed particle hydrodynamics: Methods and validations
Authors: Cao Can , Gui Nan , Zhang Xiaoxi , Huang Xiaoli , Yang Xingtuan , Tu Jiyuan , Jiang Shengyao 
Published: March 2023

AbstractA diffusion‐equation‐based kernel function (called the diffusive kernel) is proposed for flow and heat transfer simulation by the smoothed‐particle‐hydrodynamics (SPH) method. This new diffusive function has basic features of physics‐based, intrinsically conservative, and mathematically smoothing, because of a general solution of the diffusion equation. Three cases have been employed for method validation. One is the SOD's problem (a one‐dimensional case of the Riemann problem). The SPH simulation with the new kernel is compared to both analytical solutions and the SPH simulation by the third‐order B‐spline kernel. The second one is the dam‐break case to compare the performance of the cubic‐spline kernel, the quintic‐spline kernel, and the Wendland C2 kernel with the current diffusive kernel. The present kernel seems to perform as well as the well‐known Wendland C2 and the quintic kernels. The last case is natural convection in a concentric circular domain with temperature differences between the inner and outer concentric walls. Both the Gaussian kernel and the diffusive kernel were used for comparison and validation. Good consistency between numerical and analytical results, as well as experimental results, validates the good performance of the current diffusive kernel. After validation, it is clear that the diffusive kernel can simulate both the shock wave and natural convective heat transfer very well, and is much better than the conventional Gaussian kernel except for computational efficiency. The kernel profiles, together with their derivatives and integrals, are explored to explain why the diffusive kernel's performance is much better. Finally, to increase numerical efficiency, a fitted expression of the diffusive kernel is also given. The fitted diffusive kernel can reach the same level of computational efficiency as the Gaussian kernel while maintaining the basic advantages of the current diffusive kernel, which gives a choice for practical application.
Characteristics of perivascular space dilatation in normal aging
Authors: Park Chang‐hyun , Shin Na‐Young , Nam Yoonho , Yoon Uicheul , Ahn Kookjin , Lee Seung‐Koo 
Published: March 2023

AbstractThe increased incidence of dilated perivascular spaces (dPVSs) visible on MRI has been observed with advancing age, but the relevance of PVS dilatation to normal aging across the lifespan has yet to be fully clarified. In the current study, we sought to find out the age dependence of dPVSs by exploring changes in different characteristics of PVS dilatation across a wide range of age. For 1220 healthy subjects aged between 18 and 100 years, PVSs were automatically segmented and characteristics of PVS dilatation were assessed in terms of the burden, location, and morphology of PVSs in the white matter (WM) and basal ganglia (BG). A machine learning model using the random forests method was constructed to estimate the subjects’ age by employing the PVS features. The constructed machine learning model was able to estimate the age of the subjects with an error of 9.53 years on average (correlation = 0.875). The importance of the PVS features indicated the primary contribution of the burden of PVSs in the BG and the additional contribution of locational and morphological changes of PVSs, specifically peripheral extension and reduced linearity, in the WM to age estimation. Indeed, adding the PVS location or morphology features to the PVS burden features provided an improvement to the performance of age estimation. The age dependence of dPVSs in terms of such various characteristics of PVS dilatation in healthy subjects could provide a more comprehensive reference for detecting brain disease‐related PVS dilatation.
Can photobiomodulation restore anosmia and ageusia induced by COVID‐19? A pilot clinical study
Authors: Panhoca Vitor Hugo , Ferreira Laís Tatiane , de Souza Viviane Brocca , Ferreira Simone Aparecida , Simão Gabriely , de Aquino Junior Antonio Eduardo , Bagnato Vanderlei Salvador , Hanna Reem 
Published: March 2023

AbstractAlong with other COVID‐19 clinical manifestations, management of both olfactory and gustatory dysfunction have drawn a considerable attention. Photobiomodulation (PBM) has emerged to be a possible effective therapy in restoring taste and smell functionality, but the evidence is scarce. Hence, the present pilot study is aimed to evaluate the effectiveness of intranasal and intraoral PBM administrations in management of anosmia and ageusia respectively. Twenty Caucasian subjects who diagnosed with anosmia and ageusia were recruited. Visual analogue scale was utilised to evaluate patients’ self‐reported for both olfactory and gustatory functionality. The laser‐PBM parameters and treatment protocols for anosmia and ageusia were as follows respectively: 660 nm, 100 mW, two points intranasally, 60 J/session, 12 sessions; dual wavelengths (660 nm and 808 nm), 100 mW, three points intraorally, 216 J/session, 12 sessions. Our results showed a significant functionality improvement of both olfactory and gustatory functionality. Extensive studies with large data and long‐term follow‐up period are warranted.