bluuebunny/crossref_metadata_2025_split huggingface dataset:
Insights into the interactions and dynamics of a DES formed by phenyl propionic acid and choline chloride
Authors: Jahanbakhsh Bonab Parisa , Rastkar Ebrahimzadeh Alireza , Jahanbin Sardroodi Jaber 
Published: March 2021

AbstractDeep eutectic solvents (DESs) have received much attention in modern green chemistry as inexpensive and easy to handle analogous ionic liquids. This work employed molecular dynamics techniques to investigate the structure and dynamics of a DES system composed of choline chloride and phenyl propionic acid as a hydrogen bond donor and acceptor, respectively. Dynamical parameters such as mean square displacement, liquid phase self-diffusion coefficient and viscosity are calculated at the pressure of 0.1 MPa and temperatures 293, 321 and 400 K. The system size effect on the self-diffusion coefficient of DES species was also examined. Structural parameters such as liquid phase densities, hydrogen bonds, molecular dipole moment of species, and radial and spatial distribution functions (RDF and SDF) were investigated. The viscosity of the studied system was compared with the experimental values recently reported in the literature. A good agreement was observed between simulated and experimental values. The electrostatic and van der Waals nonbonding interaction energies between species were also evaluated and interpreted in terms of temperature. These investigations could play a vital role in the future development of these designer solvents.
Evaluation of genetic diversity and management of disease in Border Collie dogs
Authors: Soh Pamela Xing Yi , Hsu Wei Tse , Khatkar Mehar Singh , Williamson Peter 
Published: March 2021

AbstractMaintaining genetic diversity in dog breeds is an important consideration for the management of inherited diseases. We evaluated genetic diversity in Border Collies using molecular and genealogical methods, and examined changes to genetic diversity when carriers for Trapped Neutrophil Syndrome (TNS) and Neuronal Ceroid Lipofuscinosis (NCL) are removed from the genotyped population. Genotype data for 255 Border Collies and a pedigree database of 83,996 Border Collies were used for analysis. Molecular estimates revealed a mean multi-locus heterozygosity (MLH) of 0.311 (SD 0.027), 20.79% of the genome consisted of runs of homozygosity (ROH ) > 1 Mb, effective population size (Ne) was 84.7, and mean inbreeding (F) was 0.052 (SD 0.083). For 227 genotyped Border Collies that had available pedigree information (GenoPed), molecular and pedigree estimates of diversity were compared. A reference population (dogs born between 2005 and 2015, inclusive; N = 13,523; RefPop) and their ancestors (N = 12,478) were used to evaluate the diversity of the population that are contributing to the current generation. The reference population had aNeof 123.5, a mean F of 0.095 (SD 0.082), 2276 founders (f), 205.5 effective founders (fe), 28 effective ancestors (fa) and 10.65 (SD 2.82) founder genomes (Ng). Removing TNS and NCL carriers from the genotyped population had a small impact on diversity measures (ROH > 1 Mb, MLH, heterozygosity), however, there was a loss of > 10% minor allele frequency for 89 SNPs around the TNS mutation (maximum loss of 12.7%), and a loss of > 5% for 5 SNPs around the NCL mutation (maximum 5.18%). A common ancestor was identified for 38 TNS-affected dogs and 64 TNS carriers, and a different common ancestor was identified for 33 NCL-affected dogs and 28 carriers, with some overlap of prominent individuals between both pedigrees. Overall, Border Collies have a high level of genetic diversity compared to other breeds.
Genome-wide methylome analysis of two strains belonging to the hypervirulent Neisseria meningitidis serogroup W ST-11 clonal complex
Authors: Stenmark Bianca , Eriksson Lorraine , Thulin Hedberg Sara , Anton Brian P. , Fomenkov Alexey , Roberts Richard J. , Mölling Paula 
Published: March 2021

AbstractA rising incidence of meningococcal serogroup W disease has been evident in many countries worldwide. Serogroup W isolates belonging to the sequence type (ST)-11 clonal complex have been associated with atypical symptoms and increased case fatality rates. The continued expansion of this clonal complex in the later part of the 2010s has been largely due to a shift from the so-called original UK strain to the 2013 strain. Here we used single-molecule real-time (SMRT) sequencing to determine the methylomes of the two major serogroup W strains belonging to ST-11 clonal complex. Five methylated motifs were identified in this study, and three of the motifs, namely 5′-GATC-3′, 5′-GAAGG-3′, 5′-GCGCGC-3′, were found in all 13 isolates investigated. The results showed no strain-specific motifs or difference in active restriction modification systems between the two strains. Two phase variable methylases were identified and the enrichment or depletion of the methylation motifs generated by these methylases varied between the two strains. Results from this work give further insight into the low diversity of methylomes in highly related strains and encourage further research to decipher the role of regions with under- or overrepresented methylation motifs.
Understanding the effect of thickness on the thermoelectric properties of Ca3Co4O9 thin films
Authors: Yin Yinong , Tiwari Ashutosh 
Published: March 2021

AbstractWe are reporting the effect of thickness on the Seebeck coefficient, electrical conductivity and power factor of Ca3Co4O9thin films grown on single-crystal Sapphire (0001) substrate. Pulsed laser deposition (PLD) technique was employed to deposit Ca3Co4O9films with precisely controlled thickness values ranging from 15 to 75 nm. Structural characterization performed by scanning electron microscopy (SEM) and atomic force microscopy (AFM) showed that the growth of Ca3Co4O9on Sapphire (0001) follows the island growth-mode. It was observed that in-plane grain sizes decrease from 126 to 31 nm as the thickness of the films decreases from 75 to 15 nm. The thermoelectric power measurements showed an overall increase in the value of the Seebeck coefficient as the films’ thickness decreased. The above increase in the Seebeck coefficient was accompanied with a simultaneous decrease in the electrical conductivity of the thinner films due to enhanced scattering of the charge carriers at the grain boundaries. Because of the competing mechanisms of the thickness dependence of Seebeck coefficient and electrical conductivity, the power factor of the films showed a non-monotonous functional dependence on thickness. The films with the intermediate thickness (60 nm) showed the highest power factor (~ 0.27 mW/m-K2at 720 K).
The influence of nasal microbiome diversity and inflammatory patterns on the prognosis of nasal polyps
Authors: Gan Weigang , Zhang Hongting , Yang Fengjuan , Liu Shixi , Liu Feng , Meng Juan 
Published: March 2021

AbstractTo understand the inflammatory microenvironment and microbiome factors for prognosis of chronic rhinosinusitis with polyps (CRSwNP), we explored the difference in characteristics of the microbiome of the nasal sinuses and inflammatory cytokines between recurrent and non-recurrent groups. We collected nasal secretions and polyp tissue from 77 CRSwNP patients. Then, we extracted microbial DNA from cotton swabs, performed high-throughput sequencing based on 16S rRNA to detect bacterial community composition, and analyzed cytokines such as IL-5, IL-8, IL-17a, IL-17e, IL-18, IL-27 and INF-gamma from polyp tissue using Luminex. The eosinophil and neutrophil cells in the peripheral blood and polyp tissue were counted. Postoperative follow-up of patients with CRSwNP for 1 year was conducted to record the recurrence of nasal polyps and analyze the correlation between the recurrence of nasal polyps and the characteristics of inflammatory cytokines, inflammatory cell count and nasal microbial diversity. After 1 year of follow-up, there were 12 recurrent patients, including 5 males and 7 females. Postoperative recurrence of nasal polyps was not significantly correlated with age, sex, asthma, allergic rhinitis or other allergic diseases in CRSwNP patients. In terms of the total nasal symptom score, the recurrent group was significantly higher than the non-recurrent group. In nasal polyp tissues, eosinophils (40.83/HP) and neutrophils (30.83/HP) in patients with CRSwNP in the recurrent group were significantly higher than those in the non-recurrent group (13.72/HP), and neutrophils (18.5/HP) were also significantly higher in the recurrent group than the non-recurrent group. The expression levels of IFN-, IL-17A, IL-17E and IL-18 were significantly higher in the recurrent group than in the non-recurrent group, and the positive rates were not different. In Southwest China, Enterobacteria and anaerobic bacteria may be correlated with the inflammatory pattern expression of nasal polyps. The neutrophil-mediated inflammatory response plays an important role in patients with CRSwNP in Southwest China and is correlated with nasal polyp recurrence. Recurrence of nasal polyps after endoscopic sinus surgery may be potentially associated with a reduced abundance of protective microorganisms and an increased number of pathogenic microorganisms.
Supplementation of polyunsaturated fatty acids (PUFAs) and aerobic exercise improve functioning, morphology, and redox balance in prostate obese rats
Authors: Veras Allice Santos Cruz , Gomes Rayana Loch , Almeida Tavares Maria Eduarda , Giometti Inês Cristina , Cardoso Ana Paula Mattoso Miskulin , da Costa Aguiar Alves Beatriz , Lenquiste Sabrina Alves , Vanderlei Luiz Carlos Marques , Teixeira Giovana Rampazzo 
Published: March 2021

AbstractThe high-fat diet (HFD) stimulates an increase in lipids and can be prejudicial for harmful to prostatic morphogenesis. Polyunsaturated fatty acid (PUFAs) have anti-inflammatory and antioxidant action in some types of cancer. The combination of aerobic physical exercise and PUFA can be more effective and reduce the risk of death. The study evaluates the effects of aerobic physical exercise associated with omega-3 (fish and chia oils), on the ventral prostate of Wistar rats those fed with HFD. Here, we report that HFD modified the final body weight and the weight gain, decreased the expression of the androgen receptor and increased prostatic inflammation via TNF-α produced damage prostatic like intraepithelial neoplasia. The supplementation with fish oil decreases final body weight, reduced BCL-2 and inflammation compared to chia oil; aerobic physical exercise associated with fish oil reduced lipids circulant and prostatic, increased proteins pro-apoptotic expression and reduced IL-6 (p < 0.0001) and TNF-α potentiating the CAT (p = 0.03) and SOD-1 (p = 0.001) expression. Additionally, the chia oil increased the NRF-2 (p < 0.0001) and GSS (p = 0.4) genes. PUFAs reduced the damage caused by excessive high-fat diet in the prostate so that there is greater effectiveness in omega-3 intake, it is necessary to associate with aerobic physical exercise.
Effects of polyacrylamide molecular weight and mass concentration on water transport characteristics of iron tailings
Authors: Sun Bo , Lyu Chunjuan , Bi Rutian , Xia Lu , Zhang Xu , Xu Caicai , Wang Yu , Guo Yansong 
Published: March 2021

AbstractIron tailings have few macropores which severely inhibit infiltration and transport of soil water. Polyacrylamide (PAM) can regulate soil water, but it is rarely used when remediating tailings matrix. In this research, PAM of four molecular weights of 300w, 600w, 800w, and 1000w were selected as amendments, and were each applied at five mass concentrations of 0% (CK), 0.01%, 0.04%, 0.08%, and 0.16% to observe their effects on water transport in iron tailings using column simulations in the laboratory. After adding PAM, the water retention and saturated water content of iron tailings increased significantly (P < 0.05). With increases in PAM molecular weight and mass concentration, the saturated hydraulic conductivity showed a downward trend, but the saturated hydraulic conductivity increased after a dry–wet cycle. With the increase of PAM mass concentration, adding PAM of 1000w molecular weight to iron tailing decreased infiltration capacity, but treatments of other molecular weights all initially increased then decreased infiltration capacity. The greatest improvement on infiltration capacity of iron tailings was observed with the addition of PAM of 300w molecular weight and 0.01% mass concentration. Adding PAM increased the vertical depth of the saturation zone of iron tailings (P < 0.05) with a maximum depth of 20.83 cm. The Kostiakov model more accurately simulated water infiltration of iron tailings compared with the Horton and Philip models. On the whole, when PAM of low molecular weight and concentration was added to iron tailings, PAM increased stable infiltration, saturated water content, and water retention. It also inhibited saturated hydraulic conductivity of iron tailings. Therefore, in practice, it is necessary to select the appropriate molecular weight and mass concentration of PAM according to the dominant limiting factors and remediation needs of the matrix.
Global miRNA/proteomic analyses identify miRNAs at 14q32 and 3p21, which contribute to features of chronic iron-exposed fallopian tube epithelial cells
Authors: Chhabra Ravneet , Rockfield Stephanie , Guergues Jennifer , Nadeau Owen W. , Hill Robert , Stevens Stanley M. , Nanjundan Meera 
Published: March 2021

AbstractMalignant transformation of fallopian tube secretory epithelial cells (FTSECs) is a key contributing event to the development of high-grade serous ovarian carcinoma (HGSOC). Our recent findings implicate oncogenic transformative events in chronic iron-exposed FTSECs, including increased expression of oncogenic mediators, increased telomerase transcripts, and increased growth/migratory potential. Herein, we extend these studies by implementing an integrated transcriptomic and mass spectrometry-based proteomics approach to identify global miRNA and protein alterations, for which we also investigate a subset of these targets to iron-induced functional alterations. Proteomic analysis identified > 4500 proteins, of which 243 targets were differentially expressed. Sixty-five differentially expressed miRNAs were identified, of which 35 were associated with the “top” proteomic molecules (> fourfold change) identified by Ingenuity Pathway Analysis. Twenty of these 35 miRNAs are at the 14q32 locus (encoding a cluster of 54 miRNAs) with potential to be regulated by DNA methylation and histone deacetylation. At 14q32, miR-432-5p and miR-127-3p were ~ 100-fold downregulated whereas miR-138-5p was 16-fold downregulated at 3p21 in chronic iron-exposed FTSECs. Combinatorial treatment with methyltransferase and deacetylation inhibitors reversed expression of these miRNAs, suggesting chronic iron exposure alters miRNA expression via epigenetic alterations. In addition, PAX8, an important target in HGSOC and a potential miRNA target (from IPA) was epigenetically deregulated in iron-exposed FTSECs. However, both PAX8 and ALDH1A2 (another IPA-predicted target) were experimentally identified to be independently regulated by these miRNAs although TERT RNA was partially regulated by miR-138-5p. Interestingly, overexpression of miR-432-5p diminished cell numbers induced by long-term iron exposure in FTSECs. Collectively, our global profiling approaches uncovered patterns of miRNA and proteomic alterations that may be regulated by genome-wide epigenetic alterations and contribute to functional alterations induced by chronic iron exposure in FTSECs. This study may provide a platform to identify future biomarkers for early ovarian cancer detection and new targets for therapy.
Epidemiology and outcomes of COVID-19 in HIV-infected individuals: a systematic review and meta-analysis
Authors: Ssentongo Paddy , Heilbrunn Emily S. , Ssentongo Anna E. , Advani Shailesh , Chinchilli Vernon M. , Nunez Jonathan J. , Du Ping 
Published: March 2021

AbstractSusceptibility to severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection and the risk of mortality among people living with human immunodeficiency virus (HIV)/acquired immunodeficiency syndrome (AIDS) (PLWHA) is largely unknown. PLWHA are unique due to their altered immune system from their history of chronic HIV infection and their use of antiretroviral therapy, some of which have been used experimentally to treat coronavirus disease 2019 (COVID-19). Therefore, we conducted a systematic review and meta-analysis to assess the epidemiology of SARS-COV-2/HIV coinfection and estimate associated mortality from COVID-19 (Prospero Registration ID: CRD42020187980). PubMed, SCOPUS, OVID and Cochrane Library databases, and medRxiv preprint repositories were searched from January 1, 2020, to December 12, 2020. Data were extracted from studies reporting COVID-19 attack and mortality rates in PLWHA compared to their HIV-negative counterparts. Pooled attack and mortality risks were quantified using random-effects models. We identified 22 studies that included 20,982,498 participants across North America, Africa, Europe, and Asia. The median age was 56 years, and 50% were male. HIV-positive persons had a significantly higher risk of SARS-CoV-2 infection [risk ratio (RR) 1.24, 95% CI 1.05–1.46)] and mortality from COVID-19 (RR 1.78, 95% CI 1.21–2.60) than HIV-negative individuals. The beneficial effects of tenofovir and protease-inhibitors in reducing the risk of SARS-CoV-2 infection and death from COVID-19 in PLWHA remain inconclusive. HIV remains a significant risk factor for acquiring SARS-CoV-2 infection and is associated with a higher risk of mortality from COVID-19. In support of the current Centers for Disease Control and Prevention (CDC) guidelines, persons with HIV need priority consideration for the SARS-CoV-2 vaccine.
Transport property of multi-band topological material PtBi$$_2$$ studied by maximum entropy mobility spectrum analysis (MEMSA)
Authors: Zhao Haijun , Li Wenchong , Chen Yue , Xu Chunqiang , Li Bin , Luo Weidong , Qian Dong , Shi Zhixiang 
Published: March 2021

AbstractElectrical transport of both longitudinal and transverse directions carries rich information. Mobility spectrum analysis (MSA) is capable of extracting charge information from conductivity tensor, including charge types, concentration and mobilities. Using a numerical method based on maximum entropy principle, i.e., maximum entropy mobility spectrum analysis (MEMSA), mobility spectrum for $$\beta $$
β
-type PtBi$$_2$$

2

is studied. Three hole-pockets and two electron-pockets were found, including a small hole pocket with very high mobility, which is very likely corresponding to Dirac Fermions. Benefiting from our high resolution result, we studied temperature dependence of carrier properties and explained the sign change phenomenon of Hall conductivity. We further compared the results with band structure obtained by our first principle calculation. The present results prove MEMSA is a useful tool of extracting carries’ information in recently discovered Iron-based superconductors, and topological materials.
A new image encryption algorithm based on the OF-LSTMS and chaotic sequences
Authors: He Yi , Zhang Ying-Qian , He Xin , Wang Xing-Yuan 
Published: March 2021

AbstractIn this paper, a novel image encryption algorithm based on the Once Forward Long Short Term Memory Structure (OF-LSTMS) and the Two-Dimensional Coupled Map Lattice (2DCML) fractional-order chaotic system is proposed. The original image is divided into several image blocks, each of which is input into the OF-LSTMS as a pixel sub-sequence. According to the chaotic sequences generated by the 2DCML fractional-order chaotic system, the parameters of the input gate, output gate and memory unit of the OF-LSTMS are initialized, and the pixel positions are changed at the same time of changing the pixel values, achieving the synchronization of permutation and diffusion operations, which greatly improves the efficiency of image encryption and reduces the time consumption. In addition the 2DCML fractional-order chaotic system has better chaotic ergodicity and the values of chaotic sequences are larger than the traditional chaotic system. Therefore, it is very suitable to image encryption. Many simulation results show that the proposed scheme has higher security and efficiency comparing with previous schemes.
Longitudinal birth cohort study finds that life-course frailty associates with later-life heart size and function
Authors: Topriceanu Constantin-Cristian , Moon James C. , Hardy Rebecca , Chaturvedi Nishi , Hughes Alun D. , Captur Gabriella 
Published: March 2021

AbstractA frailty index (FI) counts health deficit accumulation. Besides traditional risk factors, it is unknown whether the health deficit burden is related to the appearance of cardiovascular disease. In order to answer this question, the same multidimensional FI looking at 45-health deficits was serially calculated per participant at 4 time periods (0–16, 19–44, 45–54 and 60–64 years) using data from the 1946 Medical Research Council (MRC) British National Survey of Health and Development (NSHD)—the world’s longest running longitudinal birth cohort with continuous follow-up. From these the mean and total FI for the life-course, and the step change in deficit accumulation from one time period to another was derived. Echocardiographic data at 60–64 years provided: ejection fraction (EF), left ventricular mass indexed to body surface area (LVmassi, BSA), myocardial contraction fraction indexed to BSA (MCFi) and E/e′. Generalized linear models assessed the association between FIs and echocardiographic parameters after adjustment for relevant covariates. 1375 participants were included. For each single new deficit accumulated at any one of the 4 time periods, LVmassi increased by 0.91–1.44% (p < 0.013), while MCFi decreased by 0.6–1.02% (p < 0.05). A unit increase in FI at age 45–54 and 60–64, decreased EF by 11–12% (p < 0.013). A single health deficit step change occurring between 60 and 64 years and one of the earlier time periods, translated into higher odds (2.1–78.5, p < 0.020) of elevated LV filling pressure. Thus, the accumulation of health deficits at any time period of the life-course associates with a maladaptive cardiac phenotype in older age, dominated by myocardial hypertrophy and poorer function.