bluuebunny/crossref_metadata_2025_split huggingface dataset:
Exploration of the Mechanism, Chemospecificity, Regiospecificity and Stereoselectivity of the Cycloaddition Reaction between Hydroxyparthenolide and Nitrilimine: MEDT Study
Authors: Ouahdi Zineb , Ourhriss NAJIA , Aytouna Anas Ouled , Barhoumi Ali , Belghiti Mohammed elalaoui , Moubarik Amine , Abdallaoui Habib El Alaoui El , idrissi Mohammed El , Zeroual Abdellah 
Published: February 2022

Abstract
The cycloaddition reaction between hydroxyparthenolide and nitrilimine has been investigated in molecular electron density theory (MEDT) at the B3LYP/6-31(d) computational level. The reaction paths including the six cycloaduit were explored. The DFT calculations show that the cyclization takes place on the C1=C2 double bond, which indicates that this reaction is chemiospecific and regiospecific in full compliance with the experimental results.In addition, we have studied the mechanism of this reaction, we found that this reaction followed asynchronous mechanism.
Combination of FDG PET/CT Radiomics and Clinical Parameters for Outcome Prediction in Patients with Hodgkin’s Lymphoma
Authors: Ortega Claudia , Eshet Yael , Prica Anca , Anconina Reut , Johnson Sarah , Constantini Danny , Keshavarzi Sareh , Roshini Kulanthaivelu , Metser Ur , Veit-Haibach Patrick 
Published: February 2022

Abstract
Purpose:
The aim of the study is to evaluate the prognostic value of joint evaluation of PET- and CT radiomics combined with standard clinical parameters in patients with HL.
Methods:
Overall, 88 patients (42 female and 46 male) with a median age of 43.3 (range 21-85 years) were included. Textural analysis of the PET/CT images was performed using a freely available software (LIFE X). 65 radiomics features (RF) were evaluated. Univariate and Multivariate models were used to determine the value of clinical characteristics and FDG PET/CT radiomics in outcome prediction. A binary logistic regression model was used to determine potential predictors for radiotherapy and odds ratios (OR) with 95% confidence intervals (CI) were reported. Features relevant for survival outcome were assessed with Cox proportional hazards to calculate hazard ratios with 95% CI.
Results:
Overall, Albumin + ALP + CT radiomic features (Area under curve (AUC): 95.0 (86.9;100.0) – Brier: 3.9 (0.1;7.8) remained as significant independent predictors for outcome prediction. PET- SHAPE Sphericity (1.9 (1.05,3.42) p=0.033); CT grey level zone length matrix high gray-level zone emphasis (GLZLM SZHGE mean (2 (1.08,3.73) p=0.028)) and PARAMS XSpatial Resampling (2.1 (1.2,3.68) p=0.0091) as well as hemoglobin results (p=0.016) remained as independent features in the final model for binary outcome as predictors of need of radiotherapy. (AUC = 0.79)
Conclusion:
We evaluated the value of baseline clinical parameters as well as combined PET and CT radiomics in HL patients for survival and prediction of need of radiotherapy. We found that different combinations of all three factors/features were independently predictive of the here evaluated endpoints.
The Amelioration of Inflammation and Endothelial Dysfunction, and the Increase in Testosterone After Obesity Surgery Decreases Carotid Intima-Media Thickness in Men
Authors: Cobeta Pilar , Pariente Roberto , Osorio Alvaro , Gomez-Martin Jesus , Blazquez Luis , Pestana David , Galindo Julio , Botella-Carretero Jose 
Published: February 2022

Abstract
Introduction:
Obesity increases cardiovascular risk in men through several mechanisms. Among them, low-grade chronic inflammation and possibly obesity-associated hypogonadism have been described. We aimed to study the association of cardiovascular risk with changes in inflammatory and endothelial dysfunction markers and testosterone.
Methods
We included 60 men, 20 submitted to laparoscopic Roux-en-Y gastric bypass (RYGB), 20 to sleeve gastrectomy (SG), and 20 to life-style modification (controls). Several inflammatory markers and total testosterone (TT) were measured at baseline and six months after surgery. Free testosterone (FT) was calculated, and carotid intima-media thickness (cIMT) measured by ultrasonography.
Results
Compared to controls, cIMT decreased after surgery concomitantly with CRP, PAI-1, sICAM-1, IL-18 (P<0.01) and with an increase in sTWEAK (P=0.027), with no differences between RYGB and SG. The increase in TT and FT after surgery correlated with the changes in cIMT (P=0.010 and P=0.038 respectively), but this association disappeared after multivariate analysis. Linear regression showed that sTWEAK (ß=-0.245, P=0.039), PAI-1 (ß=0.346, P=0.005) and CRP (ß=0.236, P=0.049) were associated with the changes in cIMT (R2=0.267, F=6.664, P=0.001).
Conclusion
Both RYGB and SG in men induced a similar beneficial response on inflammatory and endothelial dysfunction markers that was associated with a decrease in cIMT.
Improving Estimates of the Ionosphere During Geomagnetic Storm Conditions Through Assimilation of Thermospheric Mass Density
Authors: Fernandez-Gomez Isabel , Kodikara Timothy , Borries Claudia , Forootan Ehsan , Goss Andreas , Schmidt Michael , Codrescu Mihail 
Published: February 2022

Abstract
Complex dynamical changes in the ionosphere and thermosphere during geomagnetic storm times could have a significant impact on our communication and navigation applications, as well as satellite orbit determination and prediction activities. Because of the complex electrodynamics coupling processes during storms, which cannot be fully described with the sparse set of thermosphere-ionosphere (TI) observations, it is crucial to accurately model the state of the TI system. The approximation closest to the true state can be obtained by assimilating relevant measurements into physics-based models. Thermospheric mass density (TMD) derived from satellite measurements is ideal to improve the thermosphere through data assimilation. Given the coupled nature of the TI system, the changes in the thermosphere will also influence the ionosphere state. This study presents for the first time a quantification of the changes and improvement of the model state produced by assimilating TMD not only for the thermosphere density but also for the ionosphere electron density. TMD estimates derived from a single Swarm satellite and the Coupled Thermosphere Ionosphere Plasmasphere electrodynamics (CTIPe) physics-based model are used for the data assimilation. The results are presented for a case study during the St. Patrick’s Day storm 2015. It is shown that the TMD data assimilation generates an improvement of the model's thermosphere density of up to 40% (measured along the orbit of the non-assimilated Swarm satellites). The model's electron density during the course of the storm has been improved by approximately 8 and 22% relative to Swarm-A and GRACE, respectively. The comparison of the model's global electron density against a high-quality 3D electron density model, generated through assimilation of total electron content, shows that TMD assimilation modifies the model's ionosphere state positively and negatively during storm time. The major improvement area are the mid-low latitudes. The largest improvements are measured during the storm's recovery phase.
Comparative life cycle assessment of synthesis routes for cathode materials in sodium-ion batteries
Authors: Mozaffarpour Fatemeh , Hassanzadeh Nafiseh , Vahidi Ehsan 
Published: February 2022

Abstract
Sodium-ion batteries are lower cost and more sustainable alternatives for lithium-ion batteries. The development of cheap and environmentally friendly electrode materials with high electrochemical performance is the key strategy for the advancement of sodium-ion battery technology. However, despite the high research attention to the development of the synthesis procedures of the electrode materials for sodium-ion batteries, there has been less focus on the environmental footprint of each production route which is a vital aspect for large-scale industrial applications. A comparative life cycle assessment (LCA) study was performed here to evaluate the sustainability of the production phase of a promising cathode material with the chemical formula of Na3MnCO3PO4 (NMCP), which was previously studied in sodium-ion batteries. LCA approach was used to compare the environmental impacts of three representative synthesis strategies of NMCP nanoparticles including ball milling, hydrothermal, and stirring assisted hydrothermal. Results showed that the footprint associated with the ball milling method is dominant for three categories of acidification, eutrophication, and carcinogenics, while its impact in the other seven categories is only slightly less than the hydrothermal-based methods. The LCA analysis suggested that hydrothermal-based methods were eco-friendlier than the ball milling method. Consequently, between NMCP materials with comparable capabilities, the one prepared by a procedure with lower environmental impact and acceptable electrochemical performance, i.e. stirring assisted hydrothermal, would be the most appropriate method for large-scale applications.
Protease-producing lactic acid bacteria with antibacterial properties and their potential use in soybean meal fermentation
Authors: Ma Hao , Wang Lei , Yu Haojie , Wang Weiwei , Wu Guofang , Qin Guangyong , Tan Zhongfang , Wang Yanping , Pang Huili 
Published: February 2022

Abstract
Background: As an adequate plant protein raw material, soybean meal has attracted extensive attention because of its high protein content, abundant amino acids essential for animals, and many functional nutrients. Feed fermentation is a new way to improve nutrient absorption of animals by inoculating microorganisms, which can also play a probiotic role. In order to screen the lactic acid bacteria with remarkable protease-producing performance and excellent growth and fermentation characteristics, 1000 strains isolated from different materials were evaluated in this study. After primary and re-screening, 22 strains both with protein transparent circle diameters larger than 15.00 mm (including the diameter of a hole puncher 10.00 mm) and enzyme activities greater than 20.0 U/mL were screened out for physiological and biochemical tests, as well as antimicrobial performance tests. Results: Strains P (Pig) 15 and ZZUPF (Zhengzhou University Pig Fecal) 95, which have excellent physiological and biochemical characteristics, as well as good inhibition abilities for Staphylococcus aureus, Bacillus subtilis, Escherichia coli, Listeria monocytogenes, Pseudomonas aeruginosa, and Micrococcus luteus, were selected and used as fermenting agents for 3- and 30-day (d) fermentation of soybean meal. The analysis of microorganisms, fermentation quality, and chemical composition during fermentation revealed that all lactic acid bacteria addition groups had lower harmful bacteria and pH value, as well as higher lactic acid bacteria content and lactic acid level compared with CK and protease-treated groups. These effects were even better especially after 30 d of fermentation. Conclusions: This study indicated that the selected strains Lactiplantibacillus plantarum subsp. plantarum P15 and Enterococcus faecalis ZZUPF95 could be considered as potential probiotics for fermenting soybean meal for further research.
The Effects of the COVID-19 Pandemic on Patients with Trauma Presented to the Emergency Department
Authors: Çalık Mustafa , Satılmış Dilay , Yavuz Burcu Genc , Guven Ramazan , Çolak Şahin , Sogut Ozgur , Altundag İbrahim , Altinbilek Ertugrul , Tayfur İsmail , Tekyol Davut , Hok Nihat Müjdat , Eyüpoğlu Gokhan , Akdemir Tarık 
Published: February 2022

Abstract
BACKGROUND: The present study aims to examine the characteristics of patients with trauma who applied to the emergency department in parallel periods before and after the novel Coronavirus Disease 2019 (COVID-19) outbreak and analyze the effects of social change on traumatic injuries.METHODS: In this study, medical records of patients who presented to the emergency departments of seven hospitals operating as a tertiary training and research hospital in Istanbul between March-June 2018, March-June 2019, and March-June 2020 are due to trauma were retrospectively analyzed. The clinical and demographic characteristics of traumatic injuries before and after the pandemic were compared.RESULTS: In our study, 4088 trauma patients' data were reviewed; 1279 in March-June 2018, 1684 in March-June 2019, and 1125 in March-June 2020. When the total number of patients was examined, it was noticed that the number of patients decreased significantly during the COVID-19 pandemic. No significant difference was found between the periods regarding sex and trauma mechanisms of the patients. The mean age was higher in patients admitted in 2020 compared to previous years. In our study, incidences of intracranial hemorrhage, femur fracture, lung injuries, and mortality rates were higher in March-June 2020 compared to previous parallel years. CONCLUSION: In March-June 2020, compared to the previous year, there was a 34% decrease in trauma cases admitted to the emergency department. Albeit no difference was found between the periods regarding trauma mechanisms, the higher mortality in the March-June 2020 period indicates that trauma continues to be one of the major causes of death despite the pandemic.
Behavioral Response of The Egg Parasitoid Cosmocomoidea Annulicornis (Hymenoptera: Mymaridae) and Characterization of The Chemical Cues That Guide Females Toward Host Eggs Located In Taxonomically Distant Plants Species
Authors: Manzano Carolina , Fernández Patricia Carina , Hill Jorge , Albarracín Erica Luft , Virla Eduardo , Aráoz Maria Victoria Coll 
Published: February 2022

Abstract
Parasitoids are known to exploit volatile cues emitted by plants after herbivore attack to locate their hosts. Feeding and oviposition of a polyphagous herbivore can induce emission of odor blends that differ among distant plant species, and parasitoids have evolved an incredible ability to discriminate them and locate their hosts relying on olfactive cues. We evaluated the host searching behavior of the egg parasitoid Cosmocomoidea annulicornis (Ogloblin) (Hymenoptera: Mymaridae) in response to odors emitted by two taxonomically distant host plants, citrus and johnsongrass, after infestation by the sharpshooter Tapajosa rubromarginata (Signoret) (Hemiptera: Cicadellidae), vector of Citrus Variegated Chlorosis. Olfactory response of parasitoid females toward plants with no herbivore damage and plants with feeding damage, oviposition damage and parasitized eggs was tested in a Y-tube olfactometer. In addition, volatiles released by the two host plant species constitutively and under herbivore attack were characterized. Females of C. annulicornis were able to detect and significantly preferred plants with host eggs, irrespectively of plant species. However, wasps were unable to discriminate between plants with healthy eggs and those with eggs previously parasitized by conspecifics. Analysis of plant volatiles induced after sharpshooter attack showed only two common volatiles between the two plant species, indole and β-caryophyllene. Our results suggest that this parasitoid wasp uses common chemical cues released by different plants after herbivory at long range and that, once on the plant, other more specific chemical cues could trigger the final decision to oviposit.
Genetic Variations In Human ATP2B4 Gene Alter Malaria Growth In Rbcs From Gambian Adults.
Authors: Joof Fatou , Hartmann Elena , Jarvis Alison , Colley Alhassan , Cross James H , Avril Marion , Prentice Andrew M , Cerami Carla 
Published: February 2022

Abstract
Background: Polymorphisms in ATP2B4 coding for PMCA4b, the primary regulator of erythrocyte calcium concentration, have been shown by GWAS and cross-sectional studies to protect against severe malaria but the mechanism remains unknown.Methods: Using a recall-by-genotype design, we investigated the impact of a common haplotype variant in ATP2B4 using in vitro assays that model erythrocyte stage malaria pathogenesis. Ninety-six donors representing homozygote (carriers of the minor allele, C/C), heterozygote (T/C) and wildtype (T/T) carriers of the tagging SNP rs1541252 were selected from a cohort of over 12,000 participants in the Keneba Biobank.Results: Red blood cells (RBCs) from homozygotes showed reduced PMCA4b protein expression (mean fluorescence intensities (MFI = 2428 ± 124, 3544 ±159 and 4261±283] , for homozygotes, heterozygotes and wildtypes respectively, p<0.0001) and slower rates of calcium expulsion (calcium t½ ± SD = 4.7±0.5, 1.8±0.3 and 1.9±0.4 min, p<0.0001). Growth of a Plasmodium falciparum laboratory strain (FCR3) and two Gambian field isolates was decreased in RBCs from homozygotes compared to heterozygotes and wildtypes (p<0.01). Genotype group did not affect parasite adhesion in vitro or var-gene expression in malaria-infected RBCs. Parasite growth was inhibited by a known inhibitor of PMCA4b, aurintricarboxylic acid (IC50=122uM CI: 110-134) confirming its sensitivity to calcium channel blockade.Conclusion: The data support the hypothesis that this ATP2B4 genotype, common in The Gambia and other malaria-endemic areas, protects against severe malaria through the suppression of parasitemia during an infection. Reduction in parasite density plays a pivotal role in disease outcome by minimising all aspects of malaria pathogenesis. Follow up studies are needed to further elucidate the mechanism of protection and to determine if this ATP2B4 genotype carries a fitness cost or increases susceptibility to other human disease.
The Critical Pressure for Bulk Leakage of Non-planar Smooth Surfaces
Authors: Huang De , Yan Xiang , Larsson Roland , Almqvist Andreas 
Published: February 2022

Abstract
The sealing surfaces subjected to the hydrostatic load from the sealed fluid can deform to such an extent that leakage occurs when the sealed fluid pressure is sufficiently high, and this critical pressure that the seal can sustain without leakage is a fundamental aspect of the seal design. This paper presents a new numerical method based on the bisection algorithm and the boundary element method, which can be utilized to capture the critical pressure with high accuracy. The present method is employed to study the relationship between the critical pressure and the non-planar geometry of the sealing surfaces, under a wide range of loading conditions. The results show that the critical pressure can be acquired from the surface's dry contact state with a dimensionless correction factor.
Comparison of Epitheliotrophic Growth Factors in Platelet-Rich Plasma Versus Autologous Serum and Their Treatment Efficacy in Dry Eye Disease
Authors: Metheetrairut Chanatip , Ngowyutagon Panotsom , Tunganuntarat Abhirak , Khowawisetsut Ladawan , Kittisares Kulvara , Tanthuvanit Pinnita 
Published: February 2022

Abstract
Current treatment of severe dry eye disease (DED) includes blood-derived eye drops, such as autologous serum (AS), which lubricate the eyes and provide factors that improve ocular surface and aid in wound healing. Recent studies indicated that platelet-rich plasma (PRP) was also effective. This study aims to compare the concentration and stability of epitheliotrophic growth factors in AS and PRP and their efficacy in DED patients. Growth factors of interest are epidermal growth factor (EGF), fibronectin, platelet-derived growth factor-AB (PDGF-AB), and transforming growth factor-beta1 (TGF-β1). We determined that all growth factors were present in AS and PRP at baseline and did not decrease in levels in all storage conditions (4ºC for 1 week and at -20ºC for 1 and 3 months.) However, differences in growth factor concentrations in AS and PRP were observed. PRP was also shown not to be inferior to AS in terms of efficacy in DED treatment in a prospective randomized control trial which evaluated ocular surface disease index, dry eye questionnaire, ocular surface staining, tear breakup time, and Schirmer test at baseline and at 1-month follow-up. Therefore, with its shorter preparation time, PRP could be considered as an alternative to AS for the treatment of DED.
Subsurface residual stress and damaged layer in high-speed grinding considering thermo-mechanical coupling influence
Authors: Ren Zhida , Li Beizhi , Zhou Qingzhi 
Published: February 2022

Abstract
Subsurface residual stress and damaged layer play a vital role in determining the accuracy maintenance and fatigue performance of parts. Due to the advantages of machining quality and efficiency, high-speed grinding technology is being applied to the machining of precision parts. At present, the influence of high-speed grinding on the damaged layers generation and residual stress distribution has not been completely recognized, and there has been little quantitative research on the mechanism of thermo-mechanical coupling influence on the distribution of residual stress generated in the high-speed grinding process. In this study, a finite-element model comprehensively considering grinding force and thermal field was proposed to investigate the subsurface residual stress and heat influenced layer of AISI 52100 bearing steel. The subsurface damaged layer and residual stress fields were measured to validate the analytical results. Mathematical models were proposed to quantitatively analyze the thermo-mechanical coupling influence on the distribution characteristics of subsurface residual stress. The theoretical and experimental results demonstrate that when the grinding speed surpasses the critical value of 45 m/s, the depth of residual stress and damaged layer decrease simultaneously with the increase of grinding speed. Higher grinding speeds exceeding 60 m/s are supposed to restrain the maximum value of both the tensile and compressive residual stress, which helps to enhance the precision retention and fatigue performance of components. Base on this study, the performance of the subsurface can be controlled by selecting the proper grinding speed in the high-speed range.
Beneficial Effects of 1500 MHz Microwave on Old 5×FAD Mice
Authors: Sun Qiyu , Li Shuoshuo , Zhu Peipei , Yin Jiye , Zhou Hongmei , Zhao Xuelong , Liu Qi , Dong Guofu , Cheng Jinbo , Tian Zhaoju , Wang Changzhen 
Published: February 2022

Abstract
Background: Treatment of Alzheimer’s disease is still a medical challenge now. Some researchers have tried to use electromagnetic therapy to treat Alzheimer’s disease, but there are no clear conclusions. 1500 MHz microwave was used to expose young and old 5×FAD mice here to explore the beneficial effect of microwave on Alzheimer’s disease.Methods: Young and old 5×FAD mice were exposed to 1500 MHz microwave at SARs of 2 or 4 W/kg for 5-months (2 h/day, 5 days/week). The cognitive function and emotional behavior were detected by Morris Water Maze, Y-Maze, Open Field Test and Elevated Plus Maze respectively. Amyloid β peptides, BACE1 expression, and inflammatory cytokines interleukin were detected by ELISA and qPCR. Amyloid β peptides and Iba1 in hippocampus of old FAD mice were further detected with immunohistochemistry.Results: Microwave treatment obviously improved the learning and memory in old AD mice after 5 months of exposure, which was confirmed by the significant decreased Aβ42 peptides and downregulated BACE1 expression in hippocampus. 1500 MHz microwave exposure caused anxiety-like behavior in young and old AD mice at a SAR of 2 W/kg and 4 W/kg respectively. IL-6 mRNA levels were significantly decreased while IL-4 and IL-10 were significantly increased in old AD mice after exposure at a SAR of 2 W/kg. At the same time, the amount of microglia along with Aβ deposition were significantly decreased in hippocampus. The weight loss of aged AD mice slowed down and no obvious increase of anal temperature was found during exposure.Conclusions: 1500 MHz microwave exposure can significantly improve the symptoms of AD in aged mice at a SAR of 2 W/kg with the regulations of inflammatory reaction in hippocampus, which may provide an effective clinical choice for treatment of elderly patients with AD.