bluuebunny/crossref_metadata_2025_split huggingface dataset:
DRaW: An Objection on Using Matrix Factorization for Drug-Repurposing– Prediction of Covid-19 Antivirals by Deep Learning as a Case Study
Authors: Hashemi S. Morteza , Zabihian Arash , Hooshmand Mohsen , Gharaghani Sajjad , Shahbazi Mohammad-Ali 
Published: November 2022

Abstract
Background: Due to the high resource consumption of introducing a new drug, drug repurposing plays an essential role in drug discovery. To do this, researchers examine the current drug-target interaction (DTI) to predict new interactions for the approved drugs. Matrix factorization methods have had much attention and utilization in DTIs. However, They suffer from some drawbacks.
Methods: We explain why matrix factorization is not the best for DTI prediction. Then, we propose a deep learning model (DRaW) to predict DTIs without input data leakage. We compare our model with several matrix factorization methods and a deep model on the Coivd-19 dataset. In addition, to ensure the validation of DRaW, we evaluate it on benchmark datasets. Moreover, we do a docking study as external validation on the recommended drugs for Covid-19.
Results: For all cases, the results confirm that DRaW outperforms the matrix factorization and deep models. The docking approves the top-ranked mode’s recommendations for Covid-19.
Conclusions: In this paper, we show that it may not be the best choice to use matrix factorization in the DTI prediction. Matrix factorization methods suffer from some intrinsic issues, e.g., sparsity in the domain of bioinformatics applications and fixed-unchanged size of the matrix-related paradigm. Therefore, we propose an alternative method (DRaW) that uses feature vectors rather than matrix factorization and demonstrates better performance than other famous methods on four benchmark datasets.
Spatio-temporal Change Analysis of Glacial Lakes in Himalayas of Himachal Pradesh using Geospatial Technology
Authors: Kumar Parmod , Veerabhadrappa S. M. , Bahuguna I. M. , Partibha - , Singh Dharmendra 
Published: November 2022

Abstract
Extreme weather events viz. cloud bursting, temperature inversion, landslides etc. along with the other global warming effects acts as the catalyst to snow melt and increase the size of existing glacial lakes in the mountainous regions like Himalayas of Himachal Pradesh. The extra load of water in these glacial lakes as a result of snow melt and extreme events causes ‘Glacial lakes Outburst Flood’ (GLOF) those are very remote phenomena and hard to map and monitored physically. Simultaneously, these events of GLOFs are hazardous for the region and habitants of the hills. Therefore, it is vital to map and monitor such type of glacial lakes with remote sensing and GIS techniques. The present research has been carried out for the spatio-temporal mapping of glacial lakes in the Himachal Pradesh state using Landsat satellite time series data during 1980 to 2017. The year of 1980, 1990, 2000, 2010, and 2017 were selected for the mapping using well known Normalized Difference Water Index (NDWI > 0.25). Results showed a continuous increase in the number and coverage of the glacial lakes during the study period. There were 102 glacial lakes covering an area of 222.8 ha during 1980. The number and area under these lakes increases afterward and reached up to 783 having 955.6 ha area in 2017. There were 253 glacial lakes with total area of 414 ha during 1990, 370 with total area of 654.4 ha for 2000, 588 with total area of 717.6 ha for 2010. It was observed that some of the lakes were appeared and some disappeared during the study period however, appearance was prominent in higher elevation ranges (4000–5500 m) making it potentially vulnerable altitude zone for GLOFs. The study provided base for further monitoring of the lake dynamics and recognize possible GLOF prone areas which is valuable information for the policy makers involved in the social engineering of hill habitants and researchers across the globe.
Bidirectional screening and testing for TB and COVID-19 among outpatient department attendants: Outcome of an initial intervention in Ghana
Authors: Adusi-Poku Yaw , Wagaw Zeleke Alebachew , Frimpong-Mansoh Rita Patricia , Asamoah Isaac Opoku , Sorvor Felix , Afutu Felix Kwami , Sarpong Charity , Amoussou-Gohoungo Luiz Octaviano , Abdulai Farida Ngelba , Ahmedov Sevim 
Published: November 2022

Abstract

Background: Tuberculosis (TB) remains a major public health threat in Ghana. The impact of COVID-19 resulted in a 15% decline of TB case notification in 2020 compared to 2019. To mitigate the impact on TB services, the Ghana National Tuberculosis Programme (NTP) introduced the bidirectional screening and testing for TB and COVID-19 in 2021.
Objective: To evaluate the yield of bidirectional screening and testing for TB and COVID-19 among facility attendants in the Greater Accra region.
Method: We used secondary data obtained from the initial implementation stage of the bidirectional testing for TB and COVID-19 among COVID-19 and/or TB presumed cases in five health facilities in the Greater Accra Region from January to March 2021.
Results: A total of 208 presumed cases were identified: 113 were tested for COVID-19 only, and 94 were tested for both TB and COVID-19, 1 was tested for TB only. Among presumed cases tested for COVID-19, 9.7% (95% CI, 5.6%-13.7%) were tested positive. Whilst among the total presumed tested for TB, 13.7% (95% CI, 6.8%-20.6%) were confirmed to have TB. Among the total 94 presumed cases tested for both TB and COVID-19, 11.7% (95% CI, 5.2%-18.2%) were confirmed to have TB and 13.8% (95% CI, 6.9%-20.8%) participants were COVID-19 positive and one participant (1.1%) had both COVID-19 and TB.
Conclusion: Bidirectional screening and testing for COVID-19 and TB among facility attendants yielded a higher proportion of TB and COVID-19 cases. Bidirectional screening and testing for TB and COVID-19 shows significant potential for improving overall case detection for the two diseases. The bidirectional screening and testing could be applicable to address similar respiratory epidemic in the future that might have a masking effect for TB case detection.
Quantum chemical study on the structural mechanism, π-π* interactions and hydrogen bonding network of 2, 6-diamine-7H-purine molecule: using molecular modeling
Authors: Guna Kamalanathan , Sakthivel Ponnusamy , Ragavan Joseph I. , Arunkumar Ammasi , Anbarasan Ponnusamy M. 
Published: November 2022

Abstract
Molecular structure, electronic and biological properties of 2,6-Diaminopurine (DAP) in the ground state (S0) have been determined by computational approach. The obtained DFT-geometrical parameters are compared with experimental values. The molecular orbital theory provides information about the electron delocalization, and the low value of HOMO-LUMO energies confirms strong charge transfer interactions in the molecular system. The high first order polarizability and hyperpolarizability value estimation of DAP may enhance the biological behavior of the molecule. The chemical properties related to global and local reactivity descriptors are also discussed. Moreover, the molecular electrostatic potential map (MESP) and mulliken atomic charge analysis were carried out. The MEP surface map has been used to calculate the most reactive sites within the complex. NBO analysis was also performed to calculate the strength of hydrogen bonding and stabilization of the chemical substance. The results showed that DAP exhibited strong anti-bonding interactions σ*N3-C4→σ*C5-C6 with a corresponding stabilization energy of 82.02 kcal mol− 1 have been calculated at CAM-B3LYP method. In addition, the QTAIM analysis utilized to calculate the molecular electron density and strong/weak covalent bond interactions in the DAP. Molecular docking analysis was performed to identify the free binding energies and favorable binding pose of the ligand against 1UOM and 1SAO proteins.
Beta cell dysfunction and dedifferentiation induced by Bone Morphogenetic Protein (BMP)-2 is associated with histone modifications and decreased NeuroD1 chromatin binding
Authors: Ibarra Adriana , Prause Michala , Ingerslev Lars , Wortham Matthew , Sui Yinghui , Sander Maike , Williams Kristine , Barrès Romain , Larsen Martin , Christensen Gitte , Billestrup Nils 
Published: November 2022

Abstract
Insufficient insulin secretion is a hallmark of type 2 diabetes and has been attributed to beta cell identity loss characterized by decreased expression of several key beta cell genes. The pro-inflammatory factor BMP-2 is upregulated in islets of Langerhans from individuals with diabetes and acts as an inhibitor of beta cell function and proliferation. Exposure to BMP-2 induces expression of Id1-4, Hes-1 and Hey-1 which are transcriptional regulators associated with loss of differentiation. The aim of this study was to investigate the mechanism by which BMP-2 induces beta cell dysfunction and loss of cell maturity. Mouse islets exposed to BMP-2 for 10 days showed impaired glucose-stimulated insulin secretion and beta cell proliferation. BMP-2-induced beta cell dysfunction was associated with decreased expression of cell maturity and proliferation markers specific to the beta cell such as Ins1, Ucn3 and Ki67 and increased expression of Id1-4, Hes-1 and Hey-1. Top 30 most regulated proteins significantly correlated with corresponding mRNA expression. BMP-2-induced gene expression changes were associated with a predominant reduction in acetylation of H3K27 and a decrease in NeuroD1 chromatin binding activity. These results show that BMP-2 induces loss of beta cell maturity and suggest that remodeling of H3K27ac and decreased NeuroD1 DNA binding activity participate in the effect of BMP-2 on beta-cell dysfunction.
The post-discharge coping difficulty of puerperal women in a middle and low-income tourist city during the COVID-19 epidemic: a cross-sectional study
Authors: Liu Yan , Peng Lanlan , Zhang Yiyuan , Tang Meiyin , Tang Meiqiong , Xu Yunyun , Ma Zhongying , Tang Yi , Gao Lingling 
Published: November 2022

Abstract
Background
Since the coronavirus disease 2019 (COVID-19) pandemic outbreak, the incidence of mental health problems in perinatal women has been high, and particularly prominent in China which was the first country affected by COVID-19. This paper aims to investigate the current situation of maternal coping difficulties after discharge during COVID-19, analyze the related factors and provide a theoretical basis for targeted continuing care.
Methods
General information questionnaires (the Perinatal Maternal Health Literacy Scale, Postpartum Social Support Scale and Post-Discharge Coping Difficulty Scale-New Mother Form) were used to investigate 226 puerperal women in the third week of puerperium. The influencing factors were analyzed by single factor analysis, correlation and multiple linear regression.
Results
The total score of coping difficulties after discharge was 48.92 ± 12.05. At the third week after delivery, the scores of health literacy and social support were 21.34 ± 5.18 and 47.96 ± 12.71. There were negative correlations among health literacy, social support and coping difficulties after discharge (γ = -0.34, γ = -0.38, P < 0.001). Health literacy, social support, primipara, family income and education level were the main factors influencing maternal coping difficulties after discharge.
Conclusion
During the COVID-19 epidemic, puerperal women in a low- and middle-income city had moderate coping difficulties after discharge and were affected by many factors. To meet the different needs of parturients and improve their psychological coping ability, medical staff should perform adequate assessment of social resources relevant to parturients and their families when they are discharged, so they can smoothly adapt to the role of mothers.
Association between tissue-Doppler derived E/ (e's') ratio and coronary atherosclerosis severity measured by the SYNTAX score in patients with non- ST elevation-acute coronary syndrome
Authors: Nabati Maryam , Golshani Samad , Taghavi Morteza , Alipour Abbas , Parsaee Homa 
Published: November 2022

Abstract
Background
The prognosis of patients with NSTE-ACS is determined by the existence and severity of myocardial necrosis and left ventricular (LV) remodeling.
Aim
The aim of our study was to assess the association between E/ (e's') ratio and coronary atherosclerosis severity measured by the SYNTAX score in patients with NSTE-ACS.
Methods
This study was a descriptive analytical study on 252 patients with NSTE-ACS. All patients underwent echocardiography and left ventricular ejection fraction (LVEF), left atrial (LA) volume, pulsed-Doppler derived transmitral early (E wave) and late (A wave) diastolic velocities, and tissue-Doppler derived mitral annular early diastolic (e') and peak systolic (s') velocities were determined. Coronary angiography was then performed and SYNTAX score was calculated.
Results
Patients were divided into two groups based on patients with an E/ (e's') < 1.63 and those with an E/ (e's') ≥ 1.63. Patients with a high ratio were older and had higher prevalence of female sex, a SYNTAX score ≥ 22, and lower glomerular filtration rate than those with a low ratio (P value: <0.001). Also, these patients had larger indexed LA volume and lower LVEF than other ones (P value: 0.028 and 0.023, respectively). Furthermore, multiple linear regression analysis showed E/ (e's') ≥ 1.63 (B = 5.609, 95% CI: 2.324–8.894, P Value = 0.001) had a positive independent association with SYNTAX score.
Conclusions
The results of our study showed hospitalized patients with NSTE-ACS and an E/ (e’s’) ratio ≥ 1.63 had worse clinical and laboratory profile, and more complex coronary artery lesions than those with a lower ratio.
Comparison of psycho-sexual factors and the quality of life between breastfeeding and non- breastfeeding women during the COVID-19 pandemic: A cross-sectional study
Authors: DAMABI Negin MIRZAEI , Sadatmahalleh Shahideh Jahanian , Moini Ashraf , nasiri malihe , ozgoli giti 
Published: November 2022

Abstract
Background
According to the increased preponderance of COVID-19 and its possible effects on psychological health and quality of life (QoL), this study aimed to compare the psycho-sexual factors and the QoL between breastfeeding non-breastfeeding mothers during the COVID-19 pandemic.
Method
A comparative cross-sectional study was conducted through an online survey of 123 breastfeeding and 87 non-breastfeeding women referred to the gynecology clinic of Arash Hospital in Tehran from May to Jun 2020. Depression, anxiety, general health, female sexual dysfunction, QoL, Corona Disease, Anxiety, obsessions, and compulsions were assessed by an appropriate questionnaire.
Result
The results showed that breastfeeding women had better mental health, sexual function, and QoL (P < 0.001). The mean general health scores in breastfeeding women were significantly lower than in the non-breastfed group (21.92 ± 11.56 vs. 27.75 ± 16.09, P = 0.003). There were no statistically significant differences in marital satisfaction and Padua inventory between groups (P > 0.05). Multivariate regression analysis shows that the GHQ score of the BF group was 4.5 units higher than the non-BF group (P = 0.02) and the other variables were not significant.
Conclusion
This study highlights the effect of breastfeeding on the maternal mental health of mothers, especially in the coronavirus pandemic. It is possible to identify the need for more excellent psychological support in general and particularly in lactating mothers.
Investigation of Compacted Clay Cover Modified by New Water Retaining Agents
Authors: Bi Yuzhang , DING Ze-Hao , SUN Xin-Po , PU Shao-yun 
Published: November 2022

Abstract

The gas diffusion/permeation and solution permeation dominant channels formed by desiccation cracks in compacted clay have become a significant hidden danger of environmental pollution. This study used clinoptilolite and sodium polyacrylate(Na-PAA) as a new water-retaining agent to enhance the water-holding capacity and impermeability. The primary and secondary order and optimal combination of all influencing factors, such as the replacement content of clinoptilolite (A), the content of Na-PAA (B), mixing moisture content(C), dry density(D) and curing age(E), were studied by orthogonal experimental. The results reveal that (1) The traditional analytical method and the Analytic Hierarchy Process (AHP) to obtain the optimal combination of unified A4B4C4D4E3, that is, replacement content of clinoptilolite, the content of Na-PAA, the mixing moisture content, dry density and curing age was 25%, 1.2%, 23%, 1.8g/cm3, and 14d, respectively. (2) For the multi-index test, the traditional analytical method just can obtain the factors order of a single index. And it is difficult to determine the comprehensive degree of each factor to multi-index. (3) The AHP to the quantitative calculation of each factor level index weights, the influence of all the factors on the multi-index integrated primary and secondary order. (4) the verification results show that we need to adjust the best combination of dry density ρd≥0.90×ρdmax, moisture content w=OMC+(0-4%).
STING-triggered CNS inflammation in human neurodegenerative diseases
Authors: Ferecskó Alex S. , Smallwood Miranda J. , Moore Adrian , Liddle Corin , Newcombe Jia , Holley Janet , Whatmore Jacqueline , Gutowski Nicholas J. , Eggleton Paul 
Published: November 2022

Abstract
Background
Some neurodegenerative diseases have an element of neuroinflammation that is triggered by viral nucleic acids, resulting in the generation of type I interferons. In the cGAS-STING pathway, microbial and host-derived DNA bind and activate the DNA sensor cGAS, the resulting cyclic dinucleotide, 2’3-cGAMP binds to a critical adaptor protein, stimulator of interferon genes (STING), which leads to activation of downstream pathway components. However, there is limited work demonstrating the activation of the cGAS- STING pathway in human neurodegenerative diseases.
Methods
Post-mortem CNS tissue from donors with multiple sclerosis (n = 4), Alzheimer's diseases (n = 6) and Parkinson's disease (n = 3), amyotrophic lateral sclerosis (n = 3) and non-neurodegenerative controls (n = 11) were screened by immunohistochemistry for STING and relevant protein aggregates (e.g., amyloid-β, α-synuclein, TDP-43). Human brain endothelial cells were cultured and stimulated with the STING agonist palmitic acid (1-400µM) and assessed for mitochondrial stress (release of mitochondrial DNA into cytosol, increased oxygen consumption), and downstream regulator factors, TBK-1/pIRF3 and inflammatory biomarkers interferon-β release and changes ICAM-1 integrin expression.
Results
In neurodegenerative brain, elevated STING protein was observed mainly in brain endothelial cells and neurons compared to non-neurodegenerative control tissues where STING protein staining was weaker in comparison. Interestingly, higher STING presence was associated with toxic protein aggregates. (e.g., in neurons). Similarly high STING protein levels were observed within acute demyelinating lesions in multiple sclerosis subjects. To understand non-microbial/metabolic stress activation of the cGAS-STING pathway, brain endothelial cells were treated with palmitic acid. This evoked mitochondrial respiratory stress up to a ~ 2.5-fold increase in cellular oxygen consumption. Palmitic acid induced a statistically significant increase in cytosolic DNA leakage from endothelial cell mitochondria (Mander’s coefficient; P < 0.05) and a significant increase in TBK-1, phosphorylated transcription factor IFN regulatory factor 3, cGAS, cell surface ICAM. In addition, a dose response in secretion of interferon-β was observed but failed to reach statistical significance.
Conclusions
The histological evidence show that the common cGAS-STING pathway appears to be activated in endothelial and neural cells in all four neurodegenerative diseases examined. Together with the in vitro data suggest that the STING pathway might be activated via perturbation of mitochondrial stress and DNA leakage resulting in downstream neuroinflammation hence this pathway may be a target for future STING therapeutics.
Bilateral Acute Anterior Uveitis Associated with MiraLAX Bowel Prep
Authors: Tur Komalpreet , Omari Amro , Tajran Jahan , Ali Dania , Hart John 
Published: November 2022

Abstract
Background: Drug-induced uveitis is vision threatening and has been associated with various bioactive molecules. In this case report, we discuss a potential unique association between MiraLAX and bilateral anterior uveitis.
Case Presentation: We present a case of a 52-year-old gentleman with no significant medical history and a past ocular history of dry eye syndrome who developed an anaphylactic reaction and acute but mild bilateral anterior uveitis after recent MiraLAX bowel preparation for a screening colonoscopy. Extensive review of systems and screening for medical problems was otherwise unremarkable. The patient responded well to a short course of topical steroids and there were no sequelae of disease.
Conclusions: We aim to raise awareness of the potential association between MiraLAX and uveitis in order to prevent vision loss from the sequalae of disease.
Divergent responses of microbial metabolic limitations to cropland revegetation at erosion and deposition topographies in the hilly-gully region of the northern Loess Plateau, China
Authors: Yao Yufei , Tang Fangwang , Wang Chengcheng , Wei Xiaorong , Song Jinxi 
Published: November 2022

Abstract
Aims
Cropland revegetation is an effective measure to curb soil erosion on eroding hillslopes and increase farmers’ income at depositional check dams. However, how soil microbial metabolic limitation responds to cropland revegetation in erosion and deposition landscapes remains poorly understood, which has substantial implications for carbon (C) retention and nutrient cycling in the eroding environment.
Methods
We sampled 0-2 m soils in cropland and revegetated forest and grassland at upslopes and check dams on the hilly-gully region of the Loess Plateau, China. The activities of soil C-, nitrogen (N)-, and phosphorus (P)-acquiring enzymes were analyzed, and the improved V-T model derived from the vector model with the balance point was used to quantify microbial metabolic limitations based on ecoenzymatic stoichiometry.
Results
Microorganisms suffered from no energy (C) limitation, but the relative microbial C limitation was greater in revegetated land than in cropland in both landscapes. At upslopes, microbial P limitation occurred in the revegetated forest in soils below 20 cm due to the assimilation of P by the root system, while microorganisms were mainly limited by N in cropland and revegetated grassland. At check dams, land-use change had no significant influence on microbial N/P limitations owing to abundant soil C and nutrients and a wet environment.
Conclusions
Concludingly, this study revealed a non-response phenomenon of cropland revegetation on microbial metabolic limitation at lower-lying depositional topography, which compensates for the current understanding of resource restrictions on microorganisms at slopes or flat areas.