bluuebunny/crossref_metadata_2025_split huggingface dataset:
New insights on the theoretical study of hydrolysis mechanism of carbon disulfide (CS2) at low temperature: A density functional theory study
Authors: Wang Yue , Zhang Guijian , Shi Xin , Deng Ming , Tang Lihong , Ning Zhiyuan 
Published: January 2022

Abstract
Density functional theory (DFT) is used to investigate the two-step hydrolysis mechanism of CS2. By optimizing the structure of reactants, intermediates, transition states, and products, the conclusion shows that the first step of CS2 (CS2 reacts with H2O first to form COS intermediate); The second step (COS intermediate reacts with H2O to form H2S and CO2). Therefore, hydrogen migration is crucial to the mechanism of CS2 hydrolysis. In the first step of the reaction, the rate-determining step in both the single C=S path and the double C=S path has a higher barrier of 199.9 kJ/mol, but the 127.9 kJ/mol barrier in the double C=S path has a lower barrier of 142.8 kJ/mol in the single C=S path. So the double C=S path is better. Similarly, the order of the barriers for the three paths in the second reaction is C=S path < C=S path and C=O path < C=O path. So the C=S path is better. Also, to further explore the reaction of CS2 hydrolysis, the natural bond orbital (NBO) analysis of the transition states was carried out. Besides, to further explain which reaction path is better, the hydrolysis kinetics of CS2 was analyzed. It was found that the hydrolysis of CS2 was an exothermic reaction, and the increase in temperature was unfavorable to the reaction. During the hydrolysis of CS2, the six reaction paths are parallel and competitive. The results will provide a new way to study the catalytic hydrolysis of CS2.
Temporal Difference-based Graph Transformer Networks for Air Quality PM2.5 Prediction: A Case Study in China
Authors: Zhang Zhen , Zhang Shiqing , Zhao Xiaoming , Chen Linjian , Yao Jun 
Published: January 2022

Abstract
The acceleration of industrialization and urbanization has recently brought about serious air pollution problems, which threaten human health and lives, the environmental safety, and sustainable social development. Air quality prediction is an effective approach for providing early warning of air pollution and supporting cleaner industrial production. However, existing approaches have suffered from a weak ability to capture long-term dependencies and complex relationships from time series PM2.5 data. To address this problem, this paper proposes a new deep learning model called temporal difference-based graph transformer networks (TDGTN) to learn long-term temporal dependencies and complex relationships from time series PM2.5 data for air quality PM2.5 prediction. The proposed TDGTN comprises of encoder and decoder layers associated with the developed graph attention mechanism. In particular, considering the similarity of different time moments and the importance of temporal difference between two adjacent moments for air quality prediction, we first construct graph-structured data from original time series PM2.5 data at different moments without explicit graph structure. Then, based on the constructed graph, we improve the self-attention mechanism with the temporal difference information, and develop a new graph attention mechanism. Finally, the developed graph attention mechanism is embedded into the encoder and decoder layers of the proposed TDGTN to learn long-term temporal dependencies and complex relationships from a graph prospective on air quality PM2.5 prediction tasks. To verify the effectiveness of the proposed method, we conduct air quality prediction experiments on two real-world datasets in China, such as Beijing PM2.5 dataset ranging from 01/01/2010 to 12/31/2014 and Taizhou PM2.5 dataset ranging from 01/01/2017 to 12/31/2019. Compared with other air quality forecasting methods, such as autoregressive moving average (ARMA), support vector regression (SVR), convolutional neural network (CNN), long short-term memory (LSTM), the original Transformer, our experiment results indicate that the proposed method achieves more accurate results on both short-term (1 hour) and long-term (6, 12, 24, 48 hours) air quality prediction tasks.
Combined Effect of Telomere Length and Mitochondrial DNA Copy Number As a Potential Biomarker Indicating PE Risk: a Case-Control Study in a Chinese Population
Authors: Zhang Ruyi , Du Jiangbo , Xiao Zhendong , Jiang Yuan , Weng Qiao , Jin Liang 
Published: January 2022

Abstract
Purpose To explore changes of Telomere length (TL) and mitochondrial copy number (mtDNA-CN) in preeclampsia (PE) and to evaluatethe combined effect of maternal TL and mtDNA-CN on PE risk.Methods A case-control study of 471 subjects (130 PE cases and 341 age frequency matched controls) was conducted in Nanjing Drum Tower Hospital, Jiangsu Province of China. Relative telomere length (RTL) and mtDNA-CN were measured using quantitative polymerase chain reaction (qPCR) and PE risk was calculated between groups by logistic regression analyses.Results PE patients displayed longer RTL (0.48 versus 0.30) and higher mtDNA-CN (3.02 versus 2.00) in maternal bloodas well as longer cord blood RTL(0.61 versus 0.35) but lower mtDNA-CN (1.69 versus 5.49) in cord blood (all p<0.001). Exercise during pregnancy exerted an obvious effect of prolonging maternal telomere length. Multiparous, women with folic acid intake during early pregnancy and those delivered vaginally showed longer telomere length while those factors imposed no or opposite effect on RTL in PE cases. Furthermore, RTL and mtDNA-CN were positively correlated in controls (in maternal blood r=0.18, p<0.01; in cord blood r=0.19, p<0.001), but this correlation was disrupted in PE cases, no matter in maternal blood or in cord blood. Longer maternal RTL and higher mtDNA-CN were associated with higher risk of PE, and the ROC curve of RTL and mtDNA-CN in predicting PE risk presented an AUC of 0.755(95%CI: 0.698-0.812).Conclusions Interaction of TL and mtDNA-CN may play an important role in pathogenesis of PE and it could be a potential biomarker indicating PE risk.
Comparative Proteome Analysis of the Penultimate Internodes of Barley Genotypes Differing in Stem Reserve Remobilization Under Drought Stress
Authors: Hajibarat Zohreh , Saidi Abbas , Shahbazi Maryam , Zeinalabedini Mehrshad , Gorji Ahmad Mosuapour , Mirzaei Mehdi , Salekdeh Ghasem Hosseini , Ghaffari Mohammad Reza 
Published: January 2022

Abstract
Barley yield relies more on stem reserves under stress conditions at the grain filling stage. At terminal drought stresses, the remobilization of reserved assimilates from stem to seed contributes a major role in yield. To understand the molecular mechanism of stem reserve utilization during drought stress, a comparative proteome and physiological analyses were performed on the penultimate internodes of three genotypes of barley Yousef (tolerant), Morocco (susceptible), and PBYT17 (semi-tolerant) under drought stress at 21 and 28 days after anthesis (DAA). Under water stress and well-watered conditions Yousef showed significantly higher RWC, grain yield, and stem reserve remobilization capacity than susceptible and semi-tolerant genotypes. The proteome analysis led to the identification of 1580 differentially abundant proteins (DAPs), of which 759 and 821 proteins were differentially expressed at 21 and 28 DAA, respectively. Tolerant genotype in response to drought stress increased the abundance of several plant cell wall polysaccharide degradation proteins and protein kinases associated with posttranslational-associated, which might accelerate remobilization process for seed biomass formation compared to susceptible one under drought stress. However, the susceptible genotype increased the abundance of proteins involved in RNA metabolism and transcriptional changes to save energy sources for the growth and survival during drought stress. These findings suggest that barley might response to water stress by efficiently remobilize assimilates from stem to grain through specific remobilization processes.
Object Relocation Visual Tracking Based On Histogram Filter And Siamese Network
Authors: Zhang Jianlong , Li Qiao , Wang Bin , Chen Chen , Wang Tianhong , Zhou Yang , Li Ji 
Published: January 2022

Abstract
Siamese network based trackers formulate the visual tracking mission as an image matching process by regression and classification branches, which simplifies the network structure and improves tracking accuracy. However, there remain many problems as described below. 1) The lightweight neural networks decreases feature representation ability. The tracker is easy to fail under the disturbing distractors (e.g., deformation and similar objects) or large changes in viewing angle. 2) The tracker cannot adapt to variations of the object. 3) The tracker cannot reposition the object that has failed to track. To address these issues, we first propose a novel match filter arbiter based on the Euclidean distance histogram between the centers of multiple candidate objects to automatically determine whether the tracker fails. Secondly, Hopcroft-Karp algorithm is introduced to select the winners from the dynamic template set through the backtracking process, and object relocation is achieved by comparing the Gradient Magnitude Similarity Deviation between the template and the winners. The experiments show that our method obtains better performance on several tracking benchmarks, i.e., OTB100, VOT2018, GOT-10k and LaSOT, compared with state-of-the-art methods.
Probiotics Composition Harbors Against Osteoarthritis and Inflammation through GABA in Mice
Authors: Amin Uzma , Jiang Rong , Raza Shahid Masood , Liang Li , Feng Naibo , Yang Yuyou , Guo Fengjin 
Published: January 2022

Abstract
Background: Osteoarthritis (OA) is an age-related disease with multifactorial etiology and its prevalence growing globally. The role of Gut microbiota is inevitable concerning musculoskeletal disease and health. A method of controlling inflammation and cartilage destruction through changes in gut microbiota is proposed. Previously reported data lack the specific approach to microbial clusters and biomarkers in understanding the interactions between host and microbiome.Method: We adopted a novel approach to elaborate the positive influence of S. thermophilus and L. pentosus to treat Anterior cruciate ligament transection (ACLT) induced OA in vivo. For in vitro analysis Human Chondrocyte Cell Line (C28/I2) was used to analyze chondrogenic effect of microbes and GABA. Tukey’s multiple-comparisons test or Two-stage linear step-up procedure of Benjamini, Krieger, and Yekutieli test were used to statistically analyze the data.Results: The gut microbiota-joint axis promoted chondrogenesis and inhibited catabolism. Selected bacteria produced GABA as postbiotic. This study is the first to represent the chondrogenic and protective effects of γ-aminobutyric acid (GABA) on human chondrocytes and cartilage tissue in mice. Oral administration of it down-regulated cartilage degradation in OA-induced mice and decreased inflammation.Conclusion: We speculated the positive results from GABA and probiotics producing GABA against OA. GABA may have functional roles in chondrocyte maturation /differentiation. This data provides a foundation for further studies to elucidate the role of GABA producing microbes and GABA in the regulation of cartilaginous cell proliferation. These findings open future horizons to understand the gut-joint axis and for the treatment of OA. Thus probiotic / GABA therapy could act as a nutraceutical modulator for OA.
Transparent Montmorillonite/cellulose Nanofibril Nanocomposite Films: the Influence of Exfoliation Degree and Interfacial Interaction
Authors: Sun Chuan , Li Guanhui , Wang Jingyu , Fang Zhiqiang , Qin Famei , Chen Kaihuang , Zhou Jie , Qiu Xueqing 
Published: January 2022

Abstract
To obtain high performance of nanocomposite films made of cellulose nanofibrils (CNFs) and montmorillonites (MMTs), highly ordered nanostructures and abundant interfacial interactions are of extreme importance, especially for CNF film with high MMT content. Here, we tend to unveil the influence of exfoliation degree of MMTs and their interfacial interactions with CNFs on the properties of ensuing nanocomposite films. Monolayer MMTs prefer to form highly ordered nanostructure during water evaporation induced self-assembly. The obtained nanocomposite film with 30 wt% monolayer MMTs exhibits a tensile strength of 132 MPa, a total light transmittance of 90.2% (550nm), and water vapor transmission rate (WVTR) of 41.5 g•mm/m2•day, better than the film made of original bulk MMTs and CNFs (30 MPa strength, 60% transparency, and 78.7 g•mm/m2•day WVTR). Moreover, the physical properties (153 MPa strength and 20.9 g•mm/m2•day WVTR) of nanocomposite film can be further enhanced by constructing ionic interactions between the monolayer MMT and CNF using 0.5 wt% cationic polyethylenimine (PEI). However, as the amount of PEI continues to increase, its performance will be deteriorated dramatically because of the disordered orientation of monolayer MMTs. This work could provide an insight into the fabrication of high performance MMT/CNF nanocomposite film for advanced applications.
Environmental Stability and Long-term Variability of Harpacticoid Copepod Assemblages
Authors: Azovsky A I , Chertoprud Elena S , Garlitska Lesya 
Published: January 2022

Abstract
Harpacticoid copepods of the Chernaya Bay (White Sea) intertidal zone were collected in 45 surveys carried out from spring to autumn over a 25-year period (1996-2020) at three sites that differed in sediment properties. There were no significant long-term trends or seasonal cycles in total abundance. Regarding the species composition, the differences between sites were the most important source of variability over the whole period while the fine-scale (within-habitat) variability was low. Epibenthic species prevailed in fine silty sand, both burrowing and epibenthic species prevailed in medium sand, and interstitial and burrowing species prevailed in coarse sand. A comparison of the data on harpacticoid assemblages from a number of geographically remote loci corroborated the generality of this pattern. In the temporal dimension, the structure of each community was stable until the early 2000s, when the proportion of epibenthic, burrowing and interstitial species changed following changes in sediment properties (increasing siltation at sandy sites and decreasing siltation at the silty site). At each site, there was an increasing long-term trend in diversity (both in total richness and in expected species number). This increase was particularly apparent at sandy sites because of the appearance of epibenthic species. We suggest that sediment composition is the key factor determining the composition of harpacticoid assemblages in space and time. The “ecomorphological profile”, i.e., the proportion of species with different lifestyle and morphological traits, is a useful and informative indicator for describing and typifying these assemblages.
Biosynthesis Zinc Oxide Nanoparticles Using Senna Occidentalis Leaf Extract and Evaluation of their Cytotoxic Effect on SW480 Colon Cancer Cell Line
Authors: chaudhary Nidhi , Singh Manish Pratap , Sirohi Preeti , Afzal Shadma , Singh Nand K. 
Published: January 2022

Abstract
ObjectiveIn the present study, we green synthesized ZnO NPs (zinc oxide nanoparticles) from Senna occidentalis leaf extract which were subsequently assessed for their cytotoxic and antioxidant activity on colon cancer SW480 cell line.Results Zinc oxide nanoparticles were characterized by using UV-Vis spectroscopy, X-ray diffractometer (XRD), Particle size analyzer (PSA), Fourier transform infrared spectroscopy (FTIR), Field emission scanning electron microscopy (FE-SEM), Energy-dispersive X-ray (EDS) and atomic force microscope (AFM) analysis. The PSA, XRD and AFM showed 20-50 nm size and nearly cuboidal and irregular shaped of the ZnO NPs. The synthesized ZnO nanoparticles were evaluated for their anticancer activity on human colon cancer cell line (SW480) by using MTT and neutral red uptake assay. The SW480 colon cancer cells were treated with various concentrations of ZnO NPs in the range of 20–100 µg/ml for 2 hrs. The result showed that ZnO NPs could reduce cell viability of SW480 cells up to 50% at the concentration of 100 µg/ml and induce membrane leakage in a concentration dependent manner.ConclusionThe anticancer activity of zinc oxide nanoparticles has showed that these can be used as effective anti-cancer agent against colon cancer cell lines (SW480).
Anomalous Arctic Sea Ice Melting Linked to Recent Warming Amplification
Authors: Yadav Juhi , Kumar Avinash , Mohan Rahul , Ravichandran Muthulagu 
Published: January 2022

Abstract
This study investigates the mechanism of seasonal sea ice variation and recent warming amplification. Seasonal temperature changes in the vertical structure reveal that the autumn and winter seasons are warming more than summer. The thermodynamic processes of sea-ice-air interactions via the heat flux component have been studied. The summer Arctic Sea ice has receded by half (∼52%), producing excessive heat. This sea ice loss plays a significant role in determining the heat exchange between the ocean and atmosphere in the following season. During a warm season, the ocean heats up due to incident solar radiation. As a result, delayed ice growth and atmospheric warming occur. Sea ice and heat flux feedbacks explain a large part of Arctic atmospheric warming. These abrupt changes are closely coupled to accelerated Arctic Sea ice loss and atmospheric warming, which are still uncertain.
Doppler Mitral Inflow Variables Time Course After Treadmill Stress Echo with and Without Ischemic Response
Authors: LULIĆ FABIJAN , VIRAG ZDRAVKO 
Published: January 2022

Abstract
This study evaluated Doppler mitral inflow variables changes from rest to post-exercise among 104 subjects with and without echocardiographic evidence of ischemic response (IR) to exercise (63.9 ± 11 years, 54% male, 32% with IR) who underwent a clinically indicated treadmill stress echo (TSE) test. The time from exercise cessation to imaging (TIME) was recorded. The changes (after TSE minus baseline values) in the peak E-wave velocity (∆E) [34.2 vs. 24.2, p = 0.024] and E-wave deceleration rate (∆DR) [348.0 vs. 225.7, p = 0.010] were bigger in ischemic than in nonischemic subjects, while the changes in the peak A-wave velocity (∆A) did not differ [7.9 vs. 15.0, p = 0.082]. The correlations between Doppler variables and IR, TIME, and TIME*IR interaction were analyzed. We observed a significant interaction between TIME and IR regarding ∆E and ∆DR. The differences in the regression line slopes of time courses for ∆E and ∆DR based on IR were significant: ∆E (–0.09 vs. –8.17, p = 0.037) and ∆DR (11.23 vs. –82.60, p = 0.022). Main findings: 1. Time courses after exercise of ∆E and ∆DR in subjects with and without IR were different. 2. ∆E and ∆DR did not differ between subjects with and without IR at exercise cessation (TIME = 0). 3. The simple main effect of ischemia on ∆E and ∆DR was significant at TIME of ≥3 min. Divergent time courses of ∆E and ∆DR after exercise might be promising for detecting diastolic dysfunction caused by ischemia.
Evaluation of Central Corneal Epithelial Thickness With Anterior Segment OCT in Patients With Type 2 Diabetes Mellitus
Authors: yusufoglu elif , kobat sabiha güngör , keser sinem 
Published: January 2022

Abstract
Aim: The aim of this study was to evaluate the central corneal thickness (CCT) and central corneal epithelial thickness (CCET) in patients with Type 2 diabetes mellitus (DM), and the effect of the duration of diabetes, the degree of diabetic retinopathy (DR), and HbA1c level. Method: CCT and CCET values ​​of 72 patients diagnosed with type 2 DM and 72 healthy individuals were measured by anterior segment optical coherence tomography (AS-OCT). The eye tear function was evaluated with the Tear Break-up Time test (TBUT) and the Schirmer test. From the results of fundus examination, the diabetic patients were grouped as those without DR, with non-proliferative DR, and with proliferative DR. The disease duration and the HbA1c levels were recorded. Results: In the diabetic patients, the mean CCT was determined to be thicker (p=0.025), the CCET was thinner (p=0.003), and the TBUT and Schirmer values were lower (p<0.001, p<0.001, respectively). The duration of diabetes and the HbA1c level were not found to have any statistically significant effect on these parameters (p>0.05). The presence of retinopathy had no significant effect on CCT, TBUT and Schirmer values. The CCET was determined to be thinner in patients with retinopathy (p<0.001). Conclusion: As the corneal epithelial thickness is reduced in patients with advanced diabetic retinopathy, corneal epithelial pathologies can be seen more often. Therefore, early and effective treatment can be started taking into consideration the complications which may develop associated with the corneal epithelium following surgical procedures, especially those applied to the cornea.
Two Notes on the Theoretical Physics of ATP Synthase
Authors: Chaturvedi Archit 
Published: January 2022

Abstract
ATP Synthase is an essential molecule in cell and molecular biology. It is responsible for the production of ATP during cellular respiration, a molecule that provides the energy required to drive a number of cellular processes. In this paper, I explore the rotational physics of ATP Synthase’s rotor, a part of the protein that spins during the production of ATP. Firstly, I discuss some elementary rotational kinematics of the rotor. I then derive two alternate formulations for the total linear acceleration of the rotor. Finally, I derive formulas for the moment of inertia, angular momentum, net torque, and kinetic energy of the rotor. Through this, I hope to provide a theoretical and mathematical insight into the mechanics of ATP Synthase during the production of ATP.
Bayesian method for estimating Weibull parameters for wind resource assessment in the Equatorial region: a comparison between two-parameter and three-parameter Weibull distributions
Authors: Khan M. G. M. , Ahmed M. Rafiuddin 
Published: January 2022

Abstract
The two-parameter Weibull distribution has garnered much attention in the assessment of windenergy potential. The estimation of the shape and scale parameters of the distribution has broughtforth a successful tool for the wind energy industry. However, it may be inappropriate to use thetwo-parameter Weibull distribution to assess energy at every location, especially at sites wherelow wind speeds are frequent, such as the Equatorial region. In this work, a robust technique inwind resource assessment using a Bayesian approach for estimating Weibull parameters is firstproposed. Secondly, the wind resource assessment techniques using a two-parameter Weibulldistribution and a three-parameter Weibull distribution which is a generalized form of twoparameterWeibull distribution are compared. Simulation studies confirm that the Bayesianapproach seems a more robust technique for accurate estimation of Weibull parameters. Theresearch is conducted using data from seven sites in Equatorial region from 1o N of Equator to 19oSouth of Equator. Results reveal that a three-parameter Weibull distribution with non-zero shiftparameter is a better fit for wind data having a higher percentage of low wind speeds (0-1 m/s) andlow skewness. However, wind data with a smaller percentage of low wind speeds and highskewness showed better results with a two-parameter distribution that is a special case of threeparameterWeibull distribution with zero shift parameter. The results also demonstrate that theproposed Bayesian approach and application of a three-parameter Weibull distribution areextremely useful in accurate estimate of wind power and annual energy production.