Miracle-dz/UniFAR-FTUs huggingface dataset:
In silico analysis of RNA-dependent RNA polymerase of the SARS-CoV-2 and potentiality of the pre-existing drugs

Background: The alarming increase in the number of SARS-CoV-2 cases worldwide, urgently demands far-reaching effective strategies to win the battle against emerging as well as re-emerging diseases. Many research laboratories are conducting clinical trials with different drugs, among which some became quite interestingly effective against this pandemic. Our aim is to investigate the potentiality of the pre-existing drugs and get a clear understanding of their effects on RNA-dependent RNA polymerase (RdRp) of the SARS-CoV-2. Methods: Multiple sequence alignment (MSA) alogwith molecular phylogeny analysis were performed using homologous sequences to identify the mutations within RdRp and evolutionary relationship. Based on the published literatures, we have chosen eight drug molecules like Ribavirin, Tenofovir, Sofosbuvir, IDX-184, YAK, Setrobuvir, Remdesivir and Galidesivir. Series of molecular docking studies between template RNA and RdRp of SARS-CoV-2 has been performed in absence or presence of those drugs and cofactors nsp7 and nsp8.Results: From MSA 13 exclusive mutations identified within RdRp of SARS-CoV-2 and phylogeny reveals its close relation with Bat coronavirus RaTG13. The interaction affinities and interacting residues as obtained from systematic molecular docking study led to a conclusion that the chosen drugs can prove to be effective against this pandemic partially. Conclusion: Therefore, designing of inhibitors which will specifically act against nsp12 and lower the binding affinity of nsp12 towards RNA template is necessary. In this article we additionally focus on the nsp7-8 hexadecameric complex and had suggested a list of amino acid residues of nsp12 and nsp7-8 complex to develop far-reaching effective drugs.
A Robust False Spam Review Detection Using Deep Long Short-Term Memory (LSTM) Based Recurrent Neural Network

Our day-to-day activity is highly influenced by development of Internet. One of the rapid growing area in Internet is E-commerce. People are eager to buy products from online sites like Amazon, embay, Flipkart etc. Customers can write reviews about the products purchased online. The purchasing of good through online has been increasing exponentially since last few years. As there is no physical contact with goods before purchasing through online, people totally rely on reviews about the product before purchasing it. Hence review plays an important role in deciding the quality of the product. There are many customers who give online reviews about the product after using it. Hence the quality of the product is decided by the reviews of the customers. Thus, detection of fake reviews has become one of the important task. The proposed system will help in finding such fake reviews about the product, so that the fake reviews can be eliminated. Therefore, the purchasing of the products will be totally based on the genuine reviews. The proposed system uses Deep Recurrent Neural Network (DRNN) to predict the fake reviews and the performance of the proposed method has compared with Naïve Bayes Algorithm. The proposed model shows good accuracy and can handle huge amount of data over the existing system.
Fukui Indices from Perturbed Kohn−Sham Orbitals and Regional Softness from Mayer Atomic Valences

Chemical reactivity descriptors are computed by the use of three alternative approaches derived within the framework of density functional theory. These schemes consider the computation of orbital Fukui indices, where all valence orbitals are taken into account; the Fukui indices of each atom in the molecule from the atomic resolved hardness matrix; and the atom in molecule softnesses, expressed in mixed LCAO representation of second quantization as functions of Mayer atomic valences. The hardness matrix is constructed from the Kohn−Sham orbitals by the use of the fractional occupation number concept and Janak's extension of density functional theory. The site reactivity of molecules involved in radical attack reactions of some substituted olefins and isocyanide addition to dipolarophiles is rationalized in terms of the orbital and atomic resolved reactivity indices. The reactivity descriptors of thiophene, furane, and pyrrole are also reported and discussed. In addition, the nucleophilic attack on the al.
Reaching large lengths and long times in polymer dynamics simulations

A lattice model is presented for the simulation of dynamics in polymeric systems. Each polymer is represented as a chain of monomers, residing on a sequence of nearest-neighbor sites of a face-centered-cubic lattice. The polymers are self- and mutually avoiding walks: no lattice site is visited by more than one polymer, nor revisited by the same polymer after leaving it. The dynamics occurs through single-monomer displacements over one lattice spacing. To demonstrate the high computational efficiency of the model, we simulate a dense binary polymer mixture with repelling nearest-neighbor interactions between the two types of polymers, and observe the phase separation over a long period of time. The simulations consist of a total of 46 080 polymers, 100 monomers each, on a lattice with 13 824 000 sites, and an interaction strength of 0.1kBT. In the final two decades of time, the domain-growth is found to be d(t)∼t1/3, as expected, since the lattice model shows the dynamical scaling of “Model B,” once the d.
Treating municipal solid waste leachate in a pilot scale upflow anaerobic sludge blanket reactor under tropical temperature

Aims: The objective of this study was to investigate an Upflow Anaerobic Sludge Blanket (UASB) reactor efficiency in treating municipal landfill leachate, under tropical temperature. Materials and Methods: A 30-liter pilot-scale UASB reactor was used to treat the municipal solid waste leachate, under tropical temperature, for 230 days. The reactor was inoculated with 10 liters of anaerobic sludge from an anaerobic digester, in an agro industry's wastewater treatment plant. The Volatile Suspended Solids (VSS) of sludge were 65 g/L, with volatile suspended solids to suspended solids (VSS/SS) ratio of 0.74. The reactor was operated in mesophilic (34 - 39°C) temperature. Results: After reaching a stable operation, the reactor was exposed to raw leachate, with mean chemical oxygen demand (COD) concentrations of 35 g/L. The leachate was diluted to 9 - 10 g/L at Organic Loading Rates (OLRs) of 2, 6, 12, 15 g COD/L.d and decreased again to 12 g COD/L.d, resulting in 45, 76, 84, 68, and 79% removal efficiency and increased again to 87% removal efficiency for COD, at Hydraulic Retention Times (HRTs) of 6, 1.6, 0.83, and 0.67 days, respectively, in the UASB. In the reactor used in this study, the heavy metals were removed by adsorption on biomass, and the maximum removal rate was 68% for Zinc (Zn). Conclusions: It was concluded that the optimum OLR for diluted leachate up to 10 g COD/l, was 12 g COD/L.d at an HRT of 0.67 day (16 hours).
Linear viscoelasticity revisited: the relaxation function of monodisperse polymer melts

The linear viscoelastic properties of linear polymers may be calculated from the models of molecular dynamics derived from the reptation concept. The paper presents an analytical form of the complex shear modulus integrating the various relaxation processess of linear flexible chains over a wide range of time or frequencies covering the terminal relaxation region up to the glassy behavior. The model may be easily translated from one polymer species to another, and model predictions are compared with the experimental data for various polymers: polystyrene, polybutadiene, and poly(methyl methacrylate)
Efficacy and Safety of Medicines Targeting Neurotrophic Factors in the Management of Low Back Pain: Protocol for a Systematic Review and Meta-analysis

Background Low back pain (LBP) is the leading cause of years lived with disability worldwide. Most people with LBP receive the diagnosis of nonspecific LBP or sciatica. Medications are commonly prescribed but have limited analgesic effects and are associated with adverse events. A novel treatment approach is to target neurotrophins such as nerve growth factor (NGF) to reduce pain intensity. NGF inhibitors have been tested in some randomized controlled trials (RCTs) in recent years, showing promise for the treatment of chronic LBP; however, their efficacy and safety need to be evaluated to guide regulatory actions. Objective The aim of this study is to evaluate the efficacy and safety of medicines targeting neurotrophins in patients with LBP and sciatica. Methods In this systematic review, we will include published and unpublished records of parallel RCTs and the first phase of crossover RCTs that compare the effects of medicines targeting neurotrophins with any control group. We will search the CENTRAL, MEDLINE, Embase, CINAHL, ClinicalTrials.gov, EU Clinical Trials Register, and WHO International Clinical Registry Platform databases from inception. Pairs of authors will independently screen the records for eligibility, and we will independently extract data in duplicate. We will conduct a quantitative synthesis (meta-analysis) with the studies that report sufficient data and compare the medicines of interest versus placebo. We will use random-effects models and calculate estimates of effects and heterogeneity for each outcome. We will assess the risk of bias for each study using the Cochrane Collaboration tool, and form judgments of confidence in the evidence according to GRADE recommendations. We will use the PRISMA statement to report the findings. We plan to conduct subgroup analyses by condition, type of medication, and time point. We will also assess the impact of a potential new trial on an existing meta-analysis. Data from studies that meet inclusion criteria but cannot be included in the meta-analysis will be reported narratively. Results The protocol was registered on the Open Science Framework on May 19, 2020. As of December 2020, we have identified 1932 records. Conclusions This systematic review and meta-analysis will assess the evidence for the efficacy and safety of NGF inhibitors for pain in patients with nonspecific LBP and sciatica. The inclusion of new studies and unpublished data may improve the precision of the effect estimates and guide regulatory actions of the medications for LBP and sciatica. Trial Registration Open Science Framework; https://osf.io/b8adn/ International Registered Report Identifier (IRRID) DERR1-10.2196/22905
Plasma phenol determination by HPLC

Abstract After acetonitrile deproteinization, plasma phenol was determined on a CN column with 30% acetonitrile elution. It was detected by both an ultraviolet and an electrochemical detector. the latter detector was about 30 times more sensitive than the first one and also gave cleaner chromatograms. the method is simple and rapid.
Using Parametric and Nonparametric Methods to Model Total Organic Carbon, Alkalinity, and pH after Conventional Surface Water Treatment

Abstract Predicting the behavior of natural organic matter (NOM), alkalinity, and pH during drinking water coagulation is difficult because of the heterogeneous chemical nature of NOM and the complexity of carbonate chemistry. Parametric and nonparametric statistical regression methods were implemented to model the removal of NOM, as measured by total organic carbon (TOC), from raw water by conventional surface water treatment and to track the behavior of pH and alkalinity. The United States Environmental Protection Agency (U.S. EPA) Information Collection Rule (ICR) database was sampled for raw water and postsedimentation data from conventional surface water plants. All models were evaluated in terms of their fit and predictive capability, and for all variables explored, the nonparametric local polynomial models outperformed their parametric linear least-squares counterparts. This was most pronounced with the pH model, and was attributed to the nonlinear relationship found between pH and one of the predi.
Chemistry at and near the Surface of Liquid Sulfuric Acid: A Kinetic, Thermodynamic, and Mechanistic Analysis of Heterogeneous Reactions of Acetone

The interactions of gas-phase acetone with liquid sulfuric acid solutions are described. The solutions were prepared as 0.05−0.10 μm thick films deposited on single-crystal metal substrates. Experiments were carried out over broad ranges of acid composition (70 − >96 wt % H2SO4), temperature (180−220 K), and acetone pressure (10-7−10-3 Pa). Two types of measurements are reported: the time-dependent acetone uptake probability, and the infrared spectra of absorbed acetone and its reaction products. From the infrared measurements, a reaction scheme is identified in which gas-phase acetone is taken up by sulfuric acid to form protonated acetone. In solutions containing more than 70 wt % H2SO4, protonated acetone undergoes a self-condensation/dehydration reaction to form mesityl oxide. In films that contain 85 wt % or more H2SO4, a second reaction sequence occurs, ultimately resulting in the formation of trimethylbenzene. The uptake probability measurements are consistent with the infrared data. In 70 wt % H2.
Fabrication of Porous Pseudo-Carbon Paste Electrode as a Novel High-Sensitive Electrochemical Biosensor

Abstract Porous pseudo-carbon paste electrode (PPCPE) as a novel high-sensitive electrochemical biosensor was fabricated by mixing polymethyl methacrylate (PMMA) microspheres for use as the template, graphite powders for the filler, and pyrrole as the precursor of the polymer which acted as the paste. After the polymerization of pyrrole catalyzed by Fe3+, the PMMA microspheres were removed to form PPCPE. The pore size was determined by SEM observations, with diameters ranging from 2 to 5 µm. The anodic stripping voltammetry response of DNA indicated that the adsorption of oligonucleotide on PPCPE was enhanced. The PPCPE was easy to preserve and had a good reusability in comparison with that of a pure carbon paste electrode (CPE) and a carbon nanotube-modified carbon paste electrode (CNTPE). The detection limits of guanine and adenine were 20 nM and 8 nM, respectively.
IN VITRO EVALUATION OF DENTINE ADHESIVE RESISTANCE AFTER APPLYING TWO IRRIGATION SEQUENCES

Objective: To evaluate the bond-strength (MPa) of an adhesive system to intracameral dentin after 2 different endodontic irrigation sequences. Material and Methods: An in vitro double-blinded experimental cross-over study was conducted. 23 teeth were extracted, and sectioned, exposing the pulp chamber. Samples were separated into three groups: the first group (control) used a 0.9% saline solution; in the second group, the conventional sequence of irrigation of the University of Valparaiso was employed (5% NaOCl -18% EDTA-0.9% saline solution); and finally the third group, the experimental sequence was employed (5% NaOCl, 18% EDTA and 15% saline solution). The sealing technique was then conducted using universal 3M ESPE Single Bond adhesive and Filtek Z350 resin. Subsequently, the bond-strength test was performed in a microtensile, until fracture. Results: The control group had the highest values of frequency of adhesive and cohesive failure compared to the conventional and experimental group but presented a statistically non-significant association. As for the irrigation protocols, they did not show a major difference in their adhesive bond-strength when compared. Conclusion: The results of this study conclude that the adhesive resistance is not significantly modified by different irrigation protocols.
Prospects of electronic publishing in Nigeria

One of the biggest challenges facing publishing in Nigeria today is how to integrate or adopt “e-publishing” (electronic publishing). Across the world, the coming of computer has completely revolutionized the printing process from manuscript development through printing, marketing and distribution. The “destructive innovation” of e-publishing has worsened the fortunes of many news and academic publishers and major corporations have gone under as a result. Yet, stakeholders differ remarkably in their readiness to embrace the innovation. While some believe e-publishing should be approached and adopted with caution, many others believe it should be rapidly adopted. This study sought to find out the perception of electronic publishing by Nigerian publishers and end-users on: how beneficial do stakeholders consider e-publishing; how ready are end-users for electronically published products; and to what extent have stakeholders in the publishing sector deployed e-publishing. The design for the study was quantitative–cluster and stratified sampling was used to strategically select 39 publishers and 150 end-users. A focus group discussion was conducted among stakeholders to give perspectives to the findings. The study revealed that publishers were considered the main beneficiaries of e-publishing, while authors and marketers benefit the least. End-users of electronically publishers are however more prepared than publishers for e-products. The news publishing sector has deployed e-publishing more than other publishing sub-sectors in Nigeria. Key words: Electronic-publishing, prospects, publishing, innovation adoption.
A Tailored Web- and Text-Based Intervention to Increase Physical Activity for Latino Men: Protocol for a Randomized Controlled Feasibility Trial

Background Latino men in the United States report low physical activity (PA) levels and related health conditions (eg, diabetes and obesity). Engaging in regular PA can reduce the risk of chronic diseases and yield many health benefits; however, there is a paucity of interventions developed exclusively for Latino men. Objective To address the need for culturally relevant PA interventions, this study aims to develop and evaluate Hombres Saludables, a 6-month theory-based, tailored web- and text message-based PA intervention in Spanish for Latino men. This protocol paper describes the study design, intervention, and evaluation methods for Hombres Saludables. Methods Latino men aged 18-65 years were randomized to either the individually tailored PA internet intervention arm or the nutrition and wellness internet control arm. The PA intervention included 2 check-in phone calls; automated SMS text messages; a pedometer; a 6-month gym membership; access to a private Facebook group; and an interactive website with PA tracking, goal setting, and individually tailored PA content. The primary outcomes were feasibility, acceptability, and efficacy (minutes per week of total moderate-to-vigorous PA assessed via the ActiGraph GT3X+ accelerometer worn at the waist and 7-day physical activity recall at baseline and 6 months). Secondary outcomes examined potential moderators (eg, demographics, acculturation, and environmental variables) and mediators (eg, self-efficacy and cognitive and behavioral processes of change) of treatment effects at 6 months post randomization. Results This study was funded in September 2016. Initial institutional review board approval was received in February 2017, and focus groups and intervention development were conducted from April 2017 to January 2018. Recruitment for the clinical trial was carried out from February 2018 to July 2019. Baseline data collection was carried out from February 2018 to October 2019, with a total of 43 participants randomized. Follow-up data were collected through April 2020. Data cleaning and analysis are ongoing. Conclusions We developed and tested protocols for a highly accessible, culturally and linguistically relevant, theory-driven PA intervention for Latino men. Hombres Saludables used an innovative, interactive, web- and text message–based intervention for improving PA among Latino men, an underserved population at risk of low PA and related chronic disease. If the intervention demonstrates feasibility, acceptability, and preliminary efficacy, we will refine and evaluate it in a larger randomized control trial. Trial Registration Clinicaltrials.gov: NCT03196570; https://clinicaltrials.gov/ct2/show/NCT03196570 International Registered Report Identifier (IRRID) DERR1-10.2196/23690
Examining the Factors Affecting Customers' Adoption of Mobile Banking with Structural Equation Model

Mobile banking is an application used on a smartphone or tablet that allows you to perform your banking transactions by connecting to the internet from your mobile device without having to go to the branch. Mobile banking usage showed a rapid increase in the last 10 years in Turkey as well as all over the world. However, the fact that some bank customers do not prefer mobile banking for different reasons increases the importance of investigating the factors that affect customers' adoption of mobile banking. It is important that banks adopt the latest information technology system to better understand changing customer needs. The Technology Acceptance Model (TAM) is an information systems theory is used to measure the response of consumers to technological change. The main objective in this research is to analyze the relationships among the factors that determine the attitude of bank customers using mobile banking application via the TAM theory. This research data was collected from surveys applied to public, private and participation bank customers in Konya province. The collected data set was tested by the Structural Equation Model method.
Simulation of Pediatric Life-Threatening Emergency Scenarios (SimPLES): The Development, Implementation, and Evaluation of an Undergraduate Immersive Simulation-Based Educational Intervention

Background: Clinical exposure to acutely unwell pediatric patients is often limited during undergraduate medical training. Although limited within undergraduate pediatric curricula, simulation-based education (SBE) offers a tool with which such exposure can be achieved in a safe and effective learning environment. This study describes the development, implementation, and evaluation of an undergraduate multi-center immersive pediatric SBE course. Objectives: We sought to increase medical students’ exposure to acutely unwell pediatric patients and provide practical experience to improve their understanding of the importance of non-technical skills within the clinical workplace, such as teamwork, communication skills, leadership, and situational awareness. Furthermore, we sought to evaluate the impact on students’ confidence in assessing and managing acutely unwell pediatric patients while exploring their perceptions and opinions of the course. Methods: The present study included all final-year students who were on a pediatric clinical placement during the study period. Tutorials on pediatric A-E assessment and fluid management were followed by a series of immersive simulation scenarios and structured debriefs, concentrating on the importance of non-technical skills in the clinical workplace. Also, some mini-tutorials were incorporated into the course design, focussing on the technical and pathophysiological aspects of each presentation. We employed a mixed-method research methodology to evaluate the impact of the course. Also, anonymized post-course and free-text feedback was sought to explore students’ experiences and perceptions of the course. Results: All 80 students completed the pre and post-course confidence questionnaires, reporting statistically significant improvements in confidence across all 11 domains tested. Thematic analysis of the qualitative data identified six core themes: knowledge acquisition, the value of debriefing, the importance of non-technical skills, the value of faculty expertise, the value of repeated practice, and opportunities for exposure to pediatrics. The innovative post-scenario mini-tutorials were favorably received. Conclusions: Our study shows that immersive SBE can improve medical students’ confidence in managing pediatric emergency scenarios. Also, incorporating mini-tutorials within an immersive simulation course design in an undergraduate setting can be helpful and well received by students.