bluuebunny/crossref_metadata_2025_split huggingface dataset:
Computational screening of chemically active metal center in coordinated dipyridyl tetrazine network
Authors: Din Naseem Ud , Le Duy , Rahman Talat S 
Published: February 2023

Abstract
Creation, stabilization, characterization, and control of single transition metal (TM) atoms may lead to significant advancement of the next-generation catalyst. Metal organic network (MON) in which single TM atoms are coordinated and separated by organic ligands is a promising class of material that may serve as a single atom catalyst. Our density functional theory-based calculations of MONs in which dipyridyl tetrazine (DPTZ) ligands coordinate with a TM atom to form linear chains leads to two types of geometries of the chains. Those with V, Cr, Mo, Fe, Co, Pt, or Pd atoms at the coordination center are planar while those with Au, Ag, Cu, or Ni are non-planar. The formation energies of the chains are high (∼2.0–7.9 eV), suggesting that these MON can be stabilized. Moreover, the calculated adsorption energies of CO and O2 on the metal atom at center of the chains with the planar configuration lie in the range 1.0–3.0 eV for V, Cr, Mo, Fe, and Co at the coordination center, paving the way for future studies of CO oxidation on TM-DPTZ chains with the above five atoms at the coordination center.
Transport and thermoelectric properties of crystalline Cu2-xAgxSe alloys prepared by facile method
Authors: Adam Alaa 
Published: February 2023

Abstract
Crystalline alloys of Cu2-Se containing a transition metal, earth-abundant and eco-friendly element, are studied in this article as promising eco-friendly thermoelectric materials. Thermoelectric and transport properties of Cu2-xAgxSe (x = 0.00, 0.01, 0.03, 0.05, 0.07) bulk alloys were studied in the temperature range 273-473 K. Crystal structure and surface morphology were tested by X-ray diffraction analysis and scanning electron microscope analyses. Electrical conductivity measurements showed metallic conduction behaviour besides a tremendous decrease in its values with increasing Ag content (x). In contrast, doping increased the Seebeck coefficient to a large extent. Calculations of the electronic thermal conductivity showed that phonon scattering is increased due to the Ag-doping. The incorporation of Ag-atoms resulted in existence of point defects, introduced secondary phases which significantly reduced the thermal conductivity. Such effects resulted in enhanced ZT by the excess Ag-content. The largest ZT value of 0.25 was achieved for x = 0.07 at 473 K, which is about two times of that of the pristine Cu2Se sample. Increasing of the Ag content helps to maintain good TE properties of cubic Cu2-xAgxSe at higher temperatures.
Strontium hydroxyapatite/magnesium oxychloride cement with high strength and high osteogenic activity for bone defect repair
Authors: Li Hang , Liao Jianguo , Zhang Yanru , Yang Yue , Wen Jing , Ma Tingting , Guan Yijia 
Published: February 2023

Abstract
Strontium is a kind of element which can promote the increase of bone density and benefit the growth of bone tissue. This study combined Strontium hydroxyapatite (Sr-HAp) with magnesium oxychloride cement (MOC) to prepare a bioactive material with good osteogenic activity and degradability. The results revealed that the incorporation of 10 wt.% Sr-HAp densified the structure of MOC, slowed down the degradation rate of hydration product phase 5 in water, and enhanced the water resistance of MOC. After soaking for 28 d, the compressive strength of Sr-HAp/MOC decreased by 53%, which was lower than that of MOC (93%) and HAp/MOC (61%) without adding Sr-HAp. During the degradation process in vitro, Sr-HAp/MOC continuously released Sr2+ and the cumulative concentration of Sr2+ released in vitro after 7 d of immersion was 1.27±0.15 ppm. When Sr-HAp/MOC was soaking in simulated body fluid, Sr-HAp induced the growth and deposition of bone-like component hydroxyapatite crystals on MOC’s surface, improving MOC’s bioactivity. After implantation of femur defect in rats, the new bone tissue grew from outside to inside around Sr-HAp/MOC, which showed Sr-HAp/MOC had better osteogenic activity. MOC was containing 10 wt.% Sr-HAp can not only provide strong support for bone defects but also have the potential to promote bone regeneration.
The anti-cariogenic effect of fluoride iontophoresis on sound enamel under different working conditions: an in vitro study
Authors: Dong Jingjie , Zhu Yinglan , Feng Hao 
Published: February 2023

Abstract

Objective. This study investigated the anti-cariogenic effect of fluoride iontophoresis on sound human enamel under different working conditions. Methods. One hundred and five enamel blocks were prepared and randomly assigned to seven different groups: Fluoride iontophoresis under different working conditions, including: different electric current intensities (0.2, 0.4, 0.6 mA) and durations of current application (3, 6, 9 min); No fluoride treatment (negative control); Fluoride immersion without iontophoresis (positive control). After 7 days of pH-cycling, morphology changes on enamel surfaces were examined by scanning electron microscopy (SEM), and Vickers surface microhardness (VH) values of enamel blocks before and after treatments were assessed using a Vickers microhardness tester. KOH-soluble fluoride (KOH-F) uptakes were measured by a fluoride ion-selective electrode. Results. Distinctly roughened enamel surfaces were showed in all treatment groups, with the greatest extent damaged surface in negative control group and the least in all the fluoride intophoresis groups. All the fluoride iontophoresis groups (except for the group under 0.2 mA) showed smaller reduction of VH values (p < 0.05) and greater KOH-F (p < 0.05) when compared with the negative and positive control groups. There was an increasing trend in the loss of VH and in fluoride uptakes with an increasing current intensity. Meanwhile, the reduction of VH values and KOH-F in Group I3 ( 0.6 mA) were significantly greater (p < 0.05) than those in Group I1 ( 0.2 mA). No significant differences of reduction of VH and KOH-F presented among the three groups applied with fluoride iontophoresis under different current durations. Conclusions. Fluoride iontophoresis resulted in a significantly increased KOH-F and a reduced loss of VH after the 7 days pH-cycling procedure, and its effectiveness was influenced by different electric current intensities but not influenced by different current durations.
Effect of annealing temperature on the evolution of copper-rich phases in antimicrobial stainless steels
Authors: Mo Jinqiang , Feng Guanghong , Xu Mei , Pang Qihang , Zhang Wei 
Published: February 2023

Abstract
The effects of different annealing temperatures on the microstructures and properties of 430 stainless steel containing 3.52 Cu (mass fraction %) and 304 stainless steel containing 1.47 Cu (mass fraction %) were investigated using scanning electron microscopy (SEM) and transmission electron microscopy (TEM) instruments, and the evolution mechanism of Cu-rich phase was explored. The results show that the microstructure of 430Cu stainless steel consists of polygonal ferrite, while 304Cu stainless steel consists of irregular austenite, and the average grain size of both increases with increasing annealing temperature. The precipitation mechanism of Cu-rich phase in 430Cu is that the Cu atoms are biased → Cu precipitation→ aggregation and growth → spherical ε-Cu → ellipsoidal → long rod-like transformation. The precipitation mechanism of copper-rich phase in 304Cu is that the supersaturated solid solution → direct formation of FCC structure of copper-rich phase → slow growth and complete co-location with the matrix. In order to obtain a good match between strength and plasticity of the test steel, the optimal annealing temperature range for 430Cu and 304Cu stainless steel is 800 ℃~900 ℃.
Recent trends in nanostructured carbon-based electrochemical sensors for the detection and remediation of persistent toxic substances in real-time analysis
Authors: Thakur Abhinay , Kumar Ashish 
Published: February 2023

Abstract
There are rising issues regarding the presence and discharge of emerging pollutants (EPs) in the ecosystem, including pharmaceutical waste, organic contaminants, heavy metals, pesticides, antibiotics and dyes. The human populace is typically exposed to a variety of EPs and toxins, such as those found in the soil, air, food supply, and drinkable water. Thus, creating new purification methods and effective pollution detection tools is a significant task. Several researchers globally have created unique analytical techniques including chromatography/mass and gaseous atomic absorption spectroscopy for the identification of contaminants to date. The aforementioned techniques have excellent sensitivity, but they are costly, time-consuming, costly, need sophisticated expertise to operate and are difficult to execute due to their enormous scale. Electrochemical sensors with resilience, specificity, sensibility, and real-time observations are thus been designed as a solution to the aforementioned shortcomings. The development of innovative systems to assures human and environmental protection has been aided by significant improvements in nanostructured carbon-based electrochemical sensor platforms. These platforms show enticing characteristics including excellent electrocatalytic operations, increased electrical conductance, and efficient surface region when compared to conventional methods. This paper intends to provide an analysis of low-cost nanostructured carbon-based electrochemical sensors from 2015 to 2022 that could detect and eradicate components of EPs from various origins. This review discusses the characteristics and uses of nanostructured carbon-based electrochemical sensors, which include carbon nanotubes, MXenes, carbon dots/graphene dots, graphene/graphene oxide, and other materials. These sensors are used to detect EPs such as heavy metal ions (Pb(II), Cd(II), Hg(II), etc), pharmaceutical waste, dyes and pesticides. Additionally, processing and characterization techniques, including differential-pulsed voltammograms, SW voltammograms, ultraviolet-visible spectroscopy, fluorescence, electrochemical impedance spectroscopy (EIS), cyclic voltammetry (CV) and scanning electron microscopy (SEM) are discussed in detail to examine the prospects of these carbon-based electrochemical sensors and associated detection mechanisms. It is intended that this analysis would stimulate the development of new detection methods for protecting public health and restoring the environment.
Characterization of patient dose distributions and probabilistic risk analysis in cardiovascular catheterization laboratories
Authors: Weir Victor J , Zhang Jie , Khan M Rehan 
Published: February 2023

Abstract

Purpose: Patient radiation doses in cardiovascular and interventional radiology are highly variable for similar procedures. This random nature may be better described by a distribution function, compared to a linear regression. This study develops a distribution function to characterize patient dose distributions and estimate probabilistic risk. Methods: Reference air kerma from 8647 patients over six years were retrospectively collected from an EP lab and two Cath labs. Data was first sorted into low dose (<100mGy) and high dose cases (>100mGy), and histograms of the data created. Dagum and Inverse gamma distributions were chosen to initially fit to both low and high dose cases. Fits between model and the data was optimized, and a linear regression analysis performed to obtain R squared values and standard errors for the correlation between model and data. Risk probabilities were estimated according to the modeled distribution function. BMI and time distributions were analyzed to understand their influence on the inverse gamma distribution error found in the data. 75th percentiles from both descriptive statistics and model were calculated. Results: The inverse gamma distribution can be used to characterize radiation dose distributions. Model predicted cases for radiation dose 3000mGy< x <5000mGy and >5000mGy are approximately 42 and 0 for 3651 cases for lab#1, and 14 and 1 for 3197 cases for lab#2, respectively, while the actual cases are 10 and 0, and 16 and 2. Descriptive and model statistics generated different 75th percentile levels for sorted data compared to unsorted data. Time has a greater influence on inverse gamma distribution function than BMI. Conclusion: This study creates a framework to understand the random error present in radiology practices that cause wide variations in patient radiation doses. It also provides an approach to evaluate different IR areas in terms of effectiveness of dose reduction measures.
Crop production in Türkiye: trends and driving variables
Authors: Rezaei Ehsan Eyshi , Ghazaryan Gohar , Yamaç Sevim Seda 
Published: February 2023

Abstract
Climate change and a rapidly increasing population boost the pressure on Türkiye’s cropping systems to increase crop production in order to meet rising food demand. It is unknown whether and in which direction trends and variability in harvested area and yield separately affect crop production in Türkiye. The objective of this study was to (1) quantify the long-term (2004–2020) trends of planting/harvested areas, yield and crop production for the 16 vital annual crops in Türkiye, (2) quantify the separate contribution of harvested area and yield on crop-specific production variability and (3) the potential of water and temperature-based remote sensing variables on capturing the variability of harvested areas and yield. The harvested area of the most grown crops (10 out of 16) such as wheat and barley showed a declining trend. However, the yield trend was increased for all of the study crops, which in some cases overcompensated for the decline in the harvested area on crop production. The harvested area showed a more robust explanatory power for production variability than yield except for the crops with higher breeding investments and subsidized by authorities such as wheat and sugar beet. The water-related remote sensing variables and combination of water and temperature variables largely explained the variability of the harvested area in Türkiye. In order to stabilize crop production in Türkiye, better and more efficient water management plans are crucial.
Determinants of household waste disposal practices and implications for practical community interventions: lessons from Lilongwe
Authors: Kalonde Patrick Ken , Austin Alick Chisale , Mandevu Treaser , Banda Prince Justice , Banda Andsen , Stanton Michelle C , Zhou Mengshi 
Published: February 2023

Abstract
Open waste disposal has a negative effect on local ecology, economy, and public health. Understanding factors influencing waste disposal decisions is necessary for developing solutions to curb open waste disposal. This paper discusses the associations between household’s social demographic and spatial characteristics with preference for domestic waste disposal. The paper also utilizes this knowledge practical community action. This was achieved by gathering and examining a novel dataset of the waste disposal patterns of 200 randomly chosen households in Malawi. We observed that households were likely to dispose of their waste openly when the residential unit was closer to an existing open waste disposal site. A multinomial logistic regression model showed that the likelihood of choosing waste disposal methods, such as private garbage collection services, is higher when the household head is a woman, the housing unit is owned by the occupants, or in situations where a fence is present around the housing unit. We presented these findings to the neighborhood community development committee. A short-term community waste management plan was created using a participatory community planning approach. The plan included co-designing waste disposal solutions with landlords, setting up community waste bylaws, and intensifying civic education activities. In conclusion, our study provides insights into the factors that influence households’ disposal behavior. This unique case study highlights a potential approach for developing waste management policies using a bottom-up approach.
Development of neutralizing antibodies against SARS-CoV-2, using a high-throughput single-B-cell cloning method
Authors: Dou Yang , Xu Ke , Deng Yong-Qiang , Jia Zijing , Lan Jun , Xu Xiaoyu , Zhang Guorui , Cao Tianshu , Liu Pan , Wang Xiangxi , Wang Xinquan , Xu Lingjie , Du Pan , Qin Cheng-Feng , Liu Hong , Li Yafeng , Wu Guizhen , Wang Kang , Lu Bai 
Published: February 2023

AbstractBackgroundRapid and efficient strategies are needed to discover neutralizing antibodies (nAbs) from B cells derived from virus-infected patients.MethodsHere, we report a high-throughput single-B-cell cloning method for high-throughput isolation of nAbs targeting diverse epitopes on the SARS-CoV-2-RBD (receptor binding domain) from convalescent COVID-19 patients. This method is simple, fast and highly efficient in generating SARS-CoV-2-neutralizing antibodies from COVID-19 patients’ B cells.ResultsUsing this method, we have developed multiple nAbs against distinct SARS-CoV-2-RBD epitopes. CryoEM and crystallography revealed precisely how they bind RBD. In live virus assay, these nAbs are effective in blocking viral entry to the host cells.ConclusionThis simple and efficient method may be useful in developing human therapeutic antibodies for other diseases and next pandemic.
Modulation of immune function and changes in intestinal flora by Brassica rapa L. (Nozawana)
Authors: Tanaka Sachi 
Published: February 2023

ABSTRACT
Dietary foods have functions that can prevent disease and improve immune function, eg. increasing resistance to infection and preventing allergies. Brassica rapa L., known as Nozawana in Japan, is a cruciferous plant and a traditional vegetable of the Shinshu area. Nozawana leaves and stalks are processed mainly into pickled products called Nozawana-zuke. However, it is unclear whether Nozawana exerts beneficial effects on immune function. In this review, we discuss the evidence we have accumulated, which indicate Nozawana has effects on immunomodulation and gut microbiota. We have shown that Nozawana exerts an immunostimulatory effect by enhancing interferon-gamma production and natural killer activity. During the fermentation of Nozawana, the number of lactic acid bacteria increases and cytokine production by spleen cells is enhanced. Moreover, the consumption of Nozawana pickle was shown to modulate gut microbiota and improve the intestinal environment. Thus, Nozawana could be a promising food for improving human health.
Economic analysis of hydrogen production from China’s province-level power grid considering carbon emissions
Authors: Zhang Wenzuo , Li Xinying , Yang Jiezhi , Liu Jianguo , Xu Chuanbo 
Published: February 2023

AbstractHydrogen energy contributes to China’s carbon peaking and carbon neutralization by serving as an important energy carrier. However, the calculation of the cost of hydrogen production by the power grid ignores the current cost of carbon emissions. To measure the cost of hydrogen-production projects in various provinces more comprehensively and accurately, this study incorporates the carbon-emission cost into the traditional levelized cost of hydrogen model. An analysis of the energy structure of the power supply is conducted in each province of China to calculate carbon-emission costs, which are then subjected to a sensitivity test. Based on the results, the carbon-emission costs for hydrogen in each province are between 0.198 and 1.307 CNY/kg, and the levelized cost of hydrogen based on carbon-emission costs varies from 24.813 to 48.020 CNY/kg; in addition, carbon-emission costs range from 0.61% to 3.4% of the total costs. The results also show that the levelized cost of hydrogen considering carbon-emission costs in the Shanghai municipality specifically is most sensitive to the carbon-emission price, changing by 0.131 CNY/kg for every 10% fluctuation in the carbon-emission price.
Enhancement of taste by retronasal odors in patients with Wolfram syndrome and decreased olfactory function
Authors: Alfaro Raul , Nicanor-Carreón Jessica G , Doty Tasha , Lugar Heather , Hershey Tamara , Pepino Marta Yanina 
Published: February 2023

Abstract
Wolfram syndrome is a rare disease characterized by diabetes, neurodegeneration, loss of vision, and audition. We recently found, in a young sample of participants (mean age 15 years), that Wolfram syndrome was associated with impairment in smell identification with normal smell sensitivity and whole-mouth taste function. However, these senses were assessed separately, and it is unknown whether smell–taste interactions are altered in Wolfram syndrome, which was the focus of this study. Participants with Wolfram syndrome (n = 36; 18.2 ± 6.8 years) and sex–age-equivalent healthy controls (n = 34) were assessed with a battery of sensory tests. Using sip-and-spit methods, participants tasted solutions containing gustatory and olfactory stimuli (sucrose with strawberry extract, citric acid with lemon extract, sodium chloride in vegetable broth, and coffee) with and without nose clips, and rated perceived taste and retronasal smell intensities using the generalized Labeled Magnitude Scale. Participants also completed n-butanol detection thresholds and the University of Pennsylvania Smell Identification Test (UPSIT). Retronasal smell increased taste intensity of sucrose, sodium chloride, and coffee solutions similarly in both groups (P values &lt;0.03). Compared with the control group, participants in the Wolfram group had lower UPSIT scores and reduced smell sensitivity, retronasal intensity, and saltiness (P values &lt;0.03), but rated other taste intensities similarly when wearing the nose clip. Despite impairments in orthonasal smell identification, odor-induced taste enhancement was preserved in participants with Wolfram syndrome who still had some peripheral olfactory function. This finding suggests that odor-induced taste enhancement may be preserved in the presence of reduced olfactory intensity.