Schneidersingh4189

In order to evaluate the interactions between a potential drug candidate like inhibitor N3 and the residues in substrate binding site of SARS-CoV-2 main protease ( M pro ), we used molecular docking and dynamics simulations. The structural features describing the degrees of folding states of M pro formed by beta-barrels and alpha-helices were analyzed by means of root mean square deviation, root mean square fluctuation, radius of gyration, residue velocity, H-bonding, dihedral angle distributions and radial distribution function. All of the residues forming ligand binding domain (LBD) of M pro lie within the allowed region of the dihedral angle distributions as observed from the equilibrating best pose of M pro -N3 system. Sharp peaks of radial distribution function (RDF) for H-bonding atom pairs (about 2 Å radial distance apart) describe the strong interactions between inhibitor and SARS-CoV-2 M pro . During MD simulations, HSE163 has the lowest residue speed offering a sharp RDF peak whereas GLN192 has the highest residue speed resulting a flat RDF peak for the H-bonding atom pairs of M pro -N3 system. Along with negative values of coulombic and Lenard-Jones energies, MM/PBSA free energy of binding contributed by the non-covalent interactions between M pro and N3 has been obtained to be -19.45 ± 3.6 kcal/mol. These physical parameters demonstrate the binding nature of an inhibitor in M pro -LBD. This study will be helpful in evaluating the drug candidates which are expected to inhibit the SARS-CoV-2 structural proteins.The COVID-19 pandemic has forced Indian engineering institutions (EIs) to bring their previous half-shut shades completely down. Attracting new admissions to EI campuses during the pandemic have become a 'now or never' situation for EIs. During crisis situations, EIs have struggled to return to their normal track. The pandemic has drastically changed students' behavior and family preferences due to mental stress and the emotional life associated with it. Consequently, it has become the need of hour to examine the choice characteristics influencing the selection of EIs during the COVID-19 pandemic. The purpose of this study is to critically examine institutional influence and pandemic influence that affects students' choice about engineering institutions (EIs) during COVID-19 pandemic situation and consequently to study relationships between them. A quantitative research, conducted through a self-report survey composed by a closed-ended structured questionnaire was performed on the students who were recently enrolled in the EIs (academic year 2020-2021) belonging to North Maharashtra region of India during the pandemic. The findings of this study have revealed that institutional and pandemic influence have directed EI choice under the COVID-19 pandemic. It is also found that pandemic influence is positively affected by institutional influence. The study demonstrated that EIs can attract new enrollments by repositioning their institutional characteristics that regulate pandemic influence. The study can be a measuring tool for policy makers to attract new enrollments under pandemic situation.Computational modeling and simulation of viral dynamics would explain the pathogenesis for any virus. Such computational attempts have been successfully made to predict and control HIV-1 or hepatitis B virus. However, the dynamics for SARS-CoV-2 has not been adequately investigated. The purpose of this research is to propose different SARS-CoV-2 dynamics models based on differential equations and numerical analysis towards distilling the models to explain the mechanism of SARS-CoV-2 pathogenesis. The proposed four models formalize the dynamical system of SARS-CoV-2 infection, which consists of host cells and viral particles. These models undergo numerical analysis, including sensitivity analysis and stability analysis. Based on the sensitivity indices of the four models' parameters, the four models are simplified into two models. In advance of the following calibration experiments, the eigenvalues of the Jacobian matrices of these two models are calculated, thereby guaranteeing that any solutions are stable. Then, the calibration experiments fit the simulated data sequences of the two models to two observed data sequences, SARS-CoV-2 viral load in mild cases and that in severe cases. Comparing the estimated parameters in mild cases and severe cases indicates that cell-to-cell transmission would significantly correlate to the COVID-19 severity. These experiments for modeling and simulation provide plausible computational models for the SARS-CoV-2 dynamics, leading to further investigation for identifying the essential factors in severe cases.The dramatic impact of SARS-CoV-2 infection on the worldwide public health has elicited the rapid assessment of molecular and serological diagnostic methods. Notwithstanding the diagnosis of SARS-CoV-2 infection is based on molecular biology approaches including multiplex or singleplex real time RT-PCR, there is a real need for affordable and rapid serological methods to support diagnostics, and surveillance of infection spreading. In this study, we performed a diagnostic accuracy analysis of COVID-19 IgG/IgM rapid test cassette lateral flow immunoassay test (LFIA) assay. To do so, we analyzed different cohorts of blood samples obtained from 151 SARS-CoV-2 RT-PCR assay positive patients (group 1) and 51 SARS-CoV-2 RT-PCR assay negative patients (group 2) in terms of sensitivity, specificity, PPV, NPV and likelihood ratios. In addition, we challenged LFIA with plasma from 99 patients stored during 2015-2017 period. Our results showed that this LFIA detected SARS-CoV-2 IgM and/or IgG in 103 out of 151 (68.21%) samples of group 1, whereas no IgM and/or IgG detection was displayed both in the group 2 and in pre-pandemic samples. Interestingly, IgM and/or IgG positivity was detected in 86 out of 94 (91.49%) group 1 samples collected after 10 days from symptoms onset whereas only 17 out of 57 of group 1 samples obtained before day 10 were positive to SARS-CoV-2 specific antibodies. Butyzamide activator We also compared the performance of this LFIA test with respect to other four different LFIA assays in 40 serum samples from multiplex RT-PCR positive individuals. Within the limits of the study size, the results demonstrated that COVID-19 IgG/IgM rapid test cassette LFIA assay displayed valid performance in IgM and IgG detection when compared with the other four LFIA assays. Hence, this approach might be considered as an alternative point-of-care procedure for SARS-CoV-2 serological investigation.Soil microbial communities play a crucial role in soil fertility, sustainability, and plant health. However, intensive agriculture with increasing chemical inputs and changing environments have influenced native soil microbial communities. Approaches have been developed to study the structure, diversity, and activity of soil microbes to better understand the biology and plant-microbe interactions in soils. Unfortunately, a good understanding of soil microbial community remains a challenge due to the complexity of community composition, interactions of the soil environment, and limitations of technologies, especially related to the functionality of some taxa rarely detected using conventional techniques. Culture-based methods have been shown unable and sometimes are biased for assessing soil microbial communities. To gain further knowledge, culture-independent methods relying on direct analysis of nucleic acids, proteins, and lipids are worth exploring. In recent years, metagenomics, metaproteomics, metatranscriptomics, and proteogenomics have been increasingly used in studying microbial ecology. In this review, we examined the importance of microbial community to soil quality, the mystery of rhizosphere and plant-microbe interactions, and the biodiversity and multi-trophic interactions that influence the soil structure and functionality. The impact of the cropping system and climate change on the soil microbial community was also explored. Importantly, progresses in molecular biology, especially in the development of high-throughput biotechnological tools, were extensively assessed for potential uses to decipher the diversity and dynamics of soil microbial communities, with the highlighted advantages/limitations.The objective of this research is to assess the effect of enzymatic treatment of guava puree on the physicochemical parameters of the juice. Pectinases from Aspergillus niger were applied to the puree at 43 ± 3 °C under constant stirring. Enzyme concentrations used were 0.033 % (w/w), 0.055% (w/w), 0.078 % (w/w) and 0.1 % (w/w). For each enzyme concentration, the treatment times were varied from 3 - 90 min. Physicochemical parameters of raw puree and enzymatically treated juice were determined. These were viscosity, pH, electric conductivity, protein and polyphenol content, galacturonic acid content, color, TSS, and antioxidant capacity. Particle distribution, homogeneity of raw puree and juice samples dried extracts were assessed using a Field Emission Scanning Electron Microscopy (FESEM). A 91% viscosity decrease was recorded for each enzyme concentration after 3 min of enzyme reaction. That drecrase was accompanied by an increase in galacturonic acid content with increasing depectinization factors. Enzyme treatment of guava puree led to a decrease in pH, protein and polyphenol contents and an increase in conductivity and color. Analysis of FESEM images of guava samples bestowed a decrease in particle size, a scattering of particles in the medium, an increase in continuous phase proportion and an improvement of sample homogeneity with increasing values of processing parameters, due to the breaking-down of bigger particles and the solubilization during depectinization.Voltage collapse tends to occur due to the voltage instability created during large faults. As a last resort, under-voltage load shedding (UVLS) is performed after all the available power operation and control mechanisms have been exhausted. Load shedding techniques have advanced from the conventional and adaptive methods that are less optimal compared to computational intelligence-based techniques. Recent works have identified hybrid algorithms to give more optimal solutions for UVLS problems with multi-objective functions. In this paper, a novel hybrid ABC-PSO algorithm, adapted from a software estimation project, is used to perform UVLS on a modified IEEE 14-bus system. Eight overload conditions are imposed on the system ranging from 105% to 140% loading, where FVSI ranking is used in identifying weak buses. The load shedding is then performed following decentralized relay settings of 3.5 seconds, 5 seconds and 8 seconds, which gives an overall 99.32% recovery of voltage profiles. The proposed hybrid ABC-PSO algorithm is able to shed optimal amounts of load, giving an 89.56% post-contingency load, compared to GA's 77.04%, ABC-ANN at 84.03% and PSO-ANN at 80.96%. This study has been simulated on MATLAB software, using the Power System Analysis Toolbox (PSAT) graphical user and command-line interfaces.This study aimed to investigate the washback effect of two high stakes tests, a global language proficiency test (i.e., TOEFL iBT) and a local English Proficiency Exam (developed and administered by a state university) on students' motivation and their autonomy. The study also examined whether proficiency level moderated the potential washback effect among the two groups of test takers. Additionally, the study tried to find out the language leaning strategies used by both groups and explore the reasons behind their preferences. The study was conducted with two English language preparatory programs offered at a state university in Turkey University Preparatory Program (UPP) and Dual Degree Program (DDP). At the end of the UPP program, the students are required to take the university's proficiency test while as for the UPP, they need to take a valid TOEFL iBT. Data were collected from 152 preparatory students (N = 65 for DDP; N = 87 for UPP) whose proficiency levels were based on the CEFR Framework ranging from A2 (upper elementary) to B1 (pre-intermediate) to B2 (intermediate).