bluuebunny/crossref_metadata_2025_split huggingface dataset:
Virtual Screening on Indonesian Herbal Compounds as COVID-19 Supportive Therapy: Machine Learning and Pharmacophore Modeling Approaches
Authors: Erlina Linda , Paramita Rafika Indah , Kusuma Wisnu Ananta , Fadilah Fadilah , Tedjo Aryo , Pratomo Irandi Putra , Ramadhanti Nabila Sekar , Nasution Ahmad Kamal , Surado Fadhlal Khaliq , Fitriawan Aries , Istiadi Khaerunissa Anbar , Yanuar Arry 
Published: June 2020

Abstract
Background

Status of the latest developments from the spread of COVID-19 in Indonesia has reached 15438 cases with 1028 cases of patients died, updated on May 13, 2020. Unfortunately, the number of infected continues to overgrow, and no drugs have been approved for effective treatment. This research aims to find potential candidate compounds in Indonesian herbal as COVID-19 supportive therapy using machine learning and pharmacophore modeling approach.
Methods

For a machine learning approach, we used three classification methods that have different principles in decision making, such as SVM, MLP, and Random Forest. By using these different methods, it is expected that more optimal screening results can be obtained than using only one method. Moreover, for a pharmacophore modeling approach, we did the structure-based method on the 3D structure of SARS-CoV-2 main protease (3CLPro) and using known SARS, MERS, and SARS-CoV-2 repurposing drugs from literature as data sets on the ligand-based method. Lastly, we used molecular docking to analyse the interaction between 3CLpro (main protease) protein with 14 hit compounds from the Indonesian Herbal Database (HerbalDB) and Lopinavir as a positive control.
Results

The models yielded by SVM, RF, and MLP were used for screening in herbal compounds obtained from HerbalDB and got 125 potential compounds. Whereas the structure-based pharmacophore modeling gave eight hit compounds and the ligand-based methods produced more than a hundred hit compounds. Based on the screening on HerbalDB using these two prediction approaches, we got 14 hit compounds candidates. Further analysis was done using molecular docking to know the interaction between each compound and main protease of SARS-CoV-2 as inhibitory agents. From molecular docking analysis, we got six potential compounds as the main protease of SARS-CoV-2 inhibitor, i.e Hesperidin, Kaempferol-3,4'-di-O-methyl ether (Ermanin); Myricetin-3-glucoside, Peonidine 3-(4’-arabinosylglucoside); Quercetin 3-(2G-rhamnosylrutinoside); and Rhamnetin 3-mannosyl-(1–2)-alloside.
Conclusions

Herbal compounds from various plants were potential as candidates of SARS-CoV-2 antivirals. Based on our research and literature study, one of the potential commodity crops in Indonesia is Psidium guajava (guava) and can be directly used by the community.
GIS-based gully erosion susceptibility modeling, adapting bivariate statistical method and AHP approach in Gombe town and environs Northeast Nigeria
Authors: Igwe Ogbonnaya , Ugwuoke Ikechukwu John , Solomon Onwuka , Obinna Ozioko 
Published: June 2020

Abstract
Gully erosion is a major environmental problem in Gombe town, a large area of land is becoming unsuitable for human settlement, hence the need for gully erosion susceptibility map of the study area. To generate a gully inventory map, detailed field exercise was carried out, during this investigation one hundred gullies were identified and studied extensively within the study area of about 550 km2. In addition to the mapped gullies, Google EarthPro with high-resolution imagery was used to locate the spatial extents of fifty (50) more gullies. Ten gully erosion predisposing factors were carefully selected considering the information obtained from literature, and multiple field survey of the study area, the factors include elevation, slope angle, curvature, aspect, topographic wetness index (TWI), soil texture, geology, drainage buffer, road buffer and landuse. In this study, a GIS-based Frequency Ratio (FR) and Analytical Hierarchy Process (AHP) models were employed to predict areas prone to gully erosion in Gombe town and environs. The result obtained from FR shows that drainage, soil texture, and slope have the highest correlation with gully occurrence, while the AHP model revealed that drainage buffer, soil texture, geology have a high correlation with the formation of a gully. Gully erosion susceptibility maps (GESM) were produced and reclassified into very high, high, moderate, and low zones. The overall accuracies of both models were tested utilizing area under the curve (AUC) values and gully density distribution. FR and AHP model have AUC values of 0.73 and 0.72 respectively, the outcome indicates that both models have high prediction accuracy. The gully erosion density distribution values revealed that gullies are concentrated in the very high susceptibility class and it decreases towards the low class, Therefore the GESM produced using these models in this study area is reliable and can be used for land management and future planning
Analyzing Temporal Changes in an Urbanized Area Using Densely Staked Image Classification and Multinomial Logistic Regression (MLR) Technique
Authors: Wadhwa Abhinav , Kummamuru Pavan Kumar 
Published: June 2020

Abstract
Monitoring transformation of non-built-up area to urban spread via densely-stacked Land-Use-Land-Cover (LULC) classification offers a catalogue of spatio-temporal statistics to evaluate discrepancies instigated by transition factors. Impacts of major transition apparatuses in an area persuading the haphazard urbanization pattern are evaluated for Vellore acts a major contribution to Smart city project. Implications of causative factors: i) Population density; ii) proximity from rail-road-network; and iii) commercial areas are scrutinized with respect to urbanization upsurge. Multi-variate correlation is established using trend analysis and Multinomial Regression (MLR) technique for individual and homogeneous amalgamation of the aforementioned factors. Resulting equations obtained is formally used to detect closeness of urban extent from several landscapes. Research outcomes exhibited that the built-up straggling occurs from 30 to 232 m along the landscapes with a maximum of 336 m. Illustration of this study can also be assessed for various social and economic causative factors against urbanization for other smart cities.
Pancreatic line Cell Differentiation of bone marrow Mesenchymal Stromal Cells in Acellular Pancreatic Scaffolds
Authors: Li Zhao , Du Yue , Wang Xin 
Published: June 2020

Abstract
Background: To evaluate the potential differentiation ability of bone mesenchymal stromal cells(BMSCs) to pancreatic line Cells on rat acellular pancreatic bioscaffold (APB). Methods: Fresh pancreata from 20 Adult Sprague Dawley rats (between 6 and 7 weeks old) were soaked and perfused using Easy-Load Digital Drive peristaltic pumps. After BMSCs were isolated and identified, they were dynamic cultured on the APB and static cultured in tissue culture flask(TCF). Based on whether the differentiation was induced by the growth factors (GF) in the culture system, our study was divided into 4 groups: BMSCs cultured in TCF without any GF(TCF-GF(-)), BMSCs cultured in TCF with GF(TCF-GF(+)), BMSCs cultured on APB without GF(APB-GF(-)), BMSCs cultured on APB with GF (APB-GF(+)).The cytological behavior such as the proliferation and differentiation of BMSCs in all the above kinds of culture system with or without GF were assessed by morphological observation, flow cytometry, ELASA analysis, qRT-PCR assay and western blot analysis. Results: 4ml/min was the most appropriate flow rate for the dynamic culture of BMSCs. Under culture conditions, BMSCs populations could attach to and proliferate within the APB. APB could promote the proliferation and viability of BMSCs significantly better in dynamic culture with optimal flow rate 4ml/min, when compared to the static culture system. Also, the proliferation rate of BMSCs in the APB groups were significantly increased compared to TCF system. During the pancreatic line cell differentiation process, APB could induce BMSCs into pancreatic-like cells which expressed markers such as pancreatic duodenal homeodomain containing transcription factor (PDX-1) and pancreatic exocrine transcription factor (PTF-1) higher at mRNA levels compared to TCF system. In contrast, the marker Oct4 (octamer-binding transcription factor 4) was expressed at a lower level in APB group. For the pancreatic functional cytoketatins including α-Amylase(α-Amy), cytokeratin 7(CK7), fetal liver kinase-1 (Flk-1),and C-peptide, they were all expressed at higher level in APB group than in the TCF group. And metabolic enzymes secretion such as amylase and insulin were promoted significantly in APB system. By scanning electron microscope(SEM) and transmission electron microscopy(TEM), the ultrastructure of BMSCs in the APB group could further demonstrated the morphological characteristics of pancreatic-like cells. In addition, in both the dynamic and static system, GF could significantly facilitate the function of proliferation, differentiation and cell engraftment . Conclusion: Together our data show the capacity of APB , 3D pancreatic biomatrix, promoting BMSCs differentiate toward pancreatic line phenotypes, and the considerable potential of using these cells for pancreatic cell therapies and tissue engineering.
Unmet Mental Health Needs in the General Population: Perspectives of Belgian Health and Social Care Professionals
Authors: Rens Eva , Dom Geert , Remmen Roy , Michielsen Joris , Broeck Kris Van den 
Published: June 2020

Abstract
Background: Many people with mental health problems do not receive appropriate mental health care, resulting in a considerable level of unmet mental health needs. Epidemiological research has shown that some people are at increased risk for unmet mental health needs and has identified both structural and attitudinal barriers to mental health care. However, epidemiological studies may not provide the complete picture and qualitative research about unmet mental health needs is scarce. This study aimed to explore unmet mental health needs in the general population from the perspectives of professionals working with vulnerable groups.Methods: Four focus group discussions and two interviews were held with a total of 34 social work, mental health and primary care professionals in one rural and one urban primary care zone in the province of Antwerp, Belgium. All transcripts were thematically analyzed.Results: Five themes emerged: (1) socio-demographic determinants and mental disorder characteristics associated with unmet mental health needs; (2) attitudinal barriers; (3) structural barriers; (4) consequences of unmet mental health needs; and (5) recommendations for meeting unmet mental health needs.Conclusions: Finding suggest that unmet mental needs are associated with socio-demographic and mental disorder characteristics, and attitudinal and structural barriers. For example, professionals mentioned care-avoiders and difficult access for complex cases due to strict criteria. The high level of unmet need results in feelings of burden and powerlessness among professionals. Professionals discussed good practices and recommendations for optimal and more equitable mental health care provision, which should ideally be targeted at those in the greatest need.
Probiotic camel milk powder improves glycemic control, dyslipidemia, adipose tissue and skeletal muscle function in T2DM patients: a randomized trial
Authors: Fang Bing , Zhang Ming , Dong Lijie , Zhou Xiaojuan , Ren Fazheng , Ge Shaoyang 
Published: June 2020

Abstract
Background: Due to the close association between gut microbiota and diabetes, probiotic dairy products draw a lot of attention in the development of functional foods with anti-diabetic activity. Methods: 28 type II diabetic patients twice a day received 10 grams of camel milk powder supplemented with BBA6 and camel milk powder (control) over a total of 4 weeks. Results: After the intervention, there was a significant decrease in fasting blood glucose, serum content of total cholesterol, the cardiovascular risk index (TC/HDL-C), the pro-inflammatory cytokines (IL-6, MCP-1) and adipokines (adiponectin, resistin, lipocalin-2, adipsin). Myokines (irisin, osteocrin) increased significantly, indicating possible improvement in skeletal muscle function. Gut microbiota analysis suggested a significant enrichment in unclassified_f__Sphingomonadaceae and depletion in Eggerthella after the 4-week intervention with the probiotic camel milk powder, there were also elevated fecal concentrations of elevated fecal concentrations of proline, uracil and galactinol accompanied with a decreased norleucine, glycerol, sedoheptulose, palmitic acid, 5-aminovaleric acid, inositol and γ-aminobutyric acid. Conclusion: Dietary supplement with 10 grams of probiotic camel milk powder twice a day for a consecutive 4 weeks can significantly decrease fasting blood glucose of type 2 diabetic patients. This functional food also improves dyslipidemia, inflammation and functions of adipocytes and skeletal muscle, indicating the possibility of probiotic camel milk powder as a dietary treatment that target metabolic syndrome such as diabetes. Trial registration: ClinicalTrials, NCT04296825, Registered 5th March 20206 - Retrospectively registered, https://www.clinicaltrials.gov/ct2/show/NCT04296825.
Identification of Potential Target Genes in HER-2 Positive Breast Cancer by Bioinformatics Analysis.
Authors: Wang Song , Quan Yi , Lyu Hongying , Deng Jian 
Published: June 2020

Abstract
Background: HER-2 positive breast cancer has a high risk of for relapse, metastasis and drug resistance, and is correlated with a poor prognosis. Thus, the study objective was to reveal target genes and key pathways in HER-2 subtype breast cancer. Methods: The gene expression dataset (GSE29431) was downloaded from the Gene Expression Omnibus database(GEO), and the differentially expressed genes (DEGs) were determined using LIMMA package in R software. Subsequently, Functional enrichment analysis were performed in ClusterProfiler package of R platform. The Search Tool for the Retrieval of Interacting Genes (STRING) database was used to construct a Protein-Protein Interaction (PPI) network of DEGs. Module analysis and target genes were identified by Cytoscape software. Further more, The influence of target genes on overall survival (OS) was assessed using the Kaplan-Meier plotter database.Results: The differential expression analysis revealed 96 genes were up-regulated while 407 genes were down-regulated in HER-2 positive breast cancer tissue compared to normal breast tissue. Functional enrichment analysis showed that the DEGs were mainly involved in regulation of lipid metabolic process, PPAR signaling pathway and PI3K-Akt signaling pathway. PPI network construction revealed a total of 199 nodes and 560 edges, and 12 target genes were identified by the highest value of degree. In addition, target genes were associated with worse overall prognosis, including NUSAP1, PTTG1, CEP55, TOP2A, CCNB1, CENPF, MELK, AURKA, UBE2C, BUB1B, KIF20A and RRM2.Conclusion: The present study identified 12 target genes associated with the development of HER-2 subtype breast cancer, which may help to provide new biomarkers and therapeutic targets.
Synergistic Effect of Depression and Cerebrovascular Disease in Mid- to Late-life on the Risk for Dementia: A Nationwide Population-based Cohort Study
Authors: Jang Yoo Jin , Kang Cinoo , Myung Woojae , Lim Shinn-Won , Kim Ho , Kim Doh Kwan 
Published: June 2020

Abstract
Background: Dementia is a progressive neurocognitive disease with a substantial social burden. No apparent breakthroughs in treatment options have evolved so far, suggesting that disease prevention for at-risk populations is essential. Depression and cerebrovascular disease (CVD) are known independent risk factors for dementia, but no studies have examined whether the risk for dementia among people with both illnesses is higher than the sum from each effect individually. This study aims to evaluate the dementia risk among people with depression, CVD, or both, compared to those with neither.Methods: A population-based cohort study analyzing the Korean National Health Insurance Service-National Sample Cohort database was conducted for all individuals aged over 50 years. This population had not been diagnosed with dementia at baseline, and was followed up from January 1, 2005, to December 31, 2013. The analyses used a time-varying Cox proportional hazard regression model that was adjusted for potential confounding factors. The synergistic effect of depression and CVD was estimated by calculating the attributable proportion (AP) due to interaction.Results: A total of 242,237 participants were included in the analytical sample, and 12,735 (5.3%) participants developed dementia. Compared with participants without depression or CVD, the adjusted hazard ratio for the incidence of dementia for those with depression alone was 2.35 (95% CI 2.21-2.49); CVD alone, 3.25 (95% CI 3.11-3.39); and comorbid depression and CVD, 5.02 (95% CI 4.66-5.42). The synergistic effect between depression and CVD was statistically significant (AP due to interaction = 0.08, P-value = 0.037), whereby 8% of incident dementia among those with comorbid depression and CVD was attributed to the concomitance of the two illnesses.Conclusions: In this population-based nationwide cohort with a long-term follow-up, depression and CVD were associated with an increased risk of dementia, and their coexistence had a synergistic association.
In Vivo Antidepressant Efficacy of 3-substituted Thietane-1, 1-dioxide Derivative - A Preliminary Study for Novel Anti-depression Therapy in Neurological Disorders
Authors: Nikitina Irina L. , Beeraka Narasimha M. , Gaisina Gulnara G. , Bulygin Kirill V. , Galimova Elmira F. , Galimov Shamil N. , Nikolenko Vladimir N. , Mikhaleva Liudmila M. , Somasundaram Siva G. , Kirkland Cecil E. , Avila-Rodriguez Marco , Aliev Gjumrakch 
Published: June 2020

Abstract
Background: Psychosocial stress-induced depressive behavior is linked to etiology of several neurological diseases viz., PTSD, and neurodegenerative disease like Alzheimer’s disease (AD). The repeated bouts of social stress defeat can be induced using Resident-Intruder-Paradigm (RIP) and chronic mild social stress (CMSS) animal models to assess the stress-induced depressive behavioral patterns. The aim of this study to examine the anti-depressive efficacy of 3-methoxythietane-1,1-dioxide (N-14) in RIP models of behavioral alterations.Methods: In this study, we have used Sprague-Dawley rats in Resident-Intruder-Paradigm (RIP), where intruders interacted with residents Day 0 to Day +5 for 10 minutes to invoke CMSS in intruders and became defeated/submissive rats due to the depressive-like behavioral alterations in social activity, explorations, grooming, defense, aggressive behavior, and social interaction, freeze, and rearing etc., with residents. Group I is control intact animals, group II received N-14 alone; group III received CMSS, and group IV received cotreatment of N14 with CMSS. N-14 (2 mg/kg) was administered intraperitoneally from Day 0 to Day +5 to intact animals and intruder animals under conditions of CMSS. Several behavioral tests viz., forced swim test, open field test, and elevated-plus maze test were used to examine the above behavioral dynamic parameters.Results: the dynamic interaction between Residents and Intruders during the study showed substantial alterations in exploratory activity, aggressiveness, and defensive behavior, body weight, and thymus mass in stressed animals. N-14 cotreatment has mitigated sociability, exploratory activity, and aggressiveness and increased social adaptability and defensive behavior. Extensive rise in active forms of defense and submission latency indicate that N-14 has induced antidepressant activity with a psycho-sedative component of action.Conclusion: Serendipitously, we observed the ameliorative capability of N-14 cotreatment to mitigate depressive-behavioral symptoms in intruders. Since it is a preliminary study, we have not examined any pathophysiological and molecular signaling to delineate the efficacy of N-14 in retarding depressive-behavioral symptoms. Our future studies will address these aspects to fully consider N-14 as a novel therapy against stress-induced depression in neuropsychiatric and neurodegenerative disorders (ex. AD) using in vivo and clinical models.
Plasma calprotectin was associated with platelet activation and no-reflow phenomenon in acute coronary syndrome
Authors: Song Nian-Peng , Zhen Xiao-Wen , Li Liu-dong , Zhong Lin , Wang Hua , AN YI 
Published: June 2020

Abstract
Background No-reflow occurs in 3–4% of all percutaneous coronary interventions and has a strong negative impact on clinical outcomes of acute coronary syndrome. Therefore, the discovery of a biomarker that can early predict the occurrence of no-reflow has great clinical significance. Calprotectin is found to be a biomarker of plaque instability and is identified to be a novel diagnostic and prognostic biomarker of cardiovascular diseases. But the association of plasma calprotectin with platelet activation and no-reflow phenomenon in acute coronary syndrome is not clear. Methods In this study performed at Yantai Yuhuangding Hospital from 2017 to 2018, a total of 176 Chinese patients with acute coronary syndrome who had undergone percutaneous coronary interventions were recruited consecutively, aged from 30 to 88 years. The coronary angiography and percutaneous coronary intervention procedures were performed and angiographic no-reﬂow was defined as a thrombolysis in myocardial infarction scores grade less than 3. Blood samples were collected immediately at admission for detection of plasma calprotectin and platelet–monocyte aggregates formation. Statistical analysis was performed for the variable’s comparisons between groups and for the prediction value of plasma calprotectin for no-reflow.Results In this study, we have demonstrated that acute coronary syndrome patients with higher plasma calprotectin had an elevated level of platelet activation and a higher incidence of no-reflow. Plasma calprotectin level was independently associated with platelet activation and no-reflow in patients with acute coronary syndrome. Despite that platelet activation biomarker platelet–monocyte aggregate was associated with no-flow, only plasma calprotectin and serum low density lipoprotein cholesterol acted as independent predictors of no-reflow in patients with acute coronary syndrome.Conclusion Plasma calprotectin was associated with platelet activation and may act as an early prediction biomarker of no-reflow in patients with acute coronary syndrome.