Aims Existing methods for the identification of subspecies Xylella fastidiosa are time-consuming which can lead to delays in diagnosis and associated plant health response outbreaks interceptions. Methods Results Diagnostic markers were identified using a comparative genomics approach allow fine differentiation very closely related subspecies. Five qPCR assays designed specific detection X. sub...

Rapid yet accurate pKa prediction for druglike molecules is a key challenge in computational chemistry. This study uses PM6-DH+/COSMO, PM6/COSMO, PM7/COSMO, PM3/COSMO, AM1/COSMO, PM3/SMD, AM1/SMD, and DFTB3/SMD to predict the pKa values of 53 amine groups in 48 druglike compounds. The approach uses an isodesmic reaction where the pKa value is computed relative to a chemically related reference ...

We present estimates for the occurrence rates of hot Jupiters around dwarf stars based on data from Transiting Exoplanet Survey Satellite (TESS) Prime Mission. take 97 orbiting 198,721 AFG (ranging in mass $0.8M_{\odot}$ to $2.3M_{\odot}$) an independent search using TESS Mission data. estimate our planet sample's false positive as $14\pm7\%$ A stars, $16\pm6\%$ F and $0\%$ G stars. find Jupite...

The proposed study concerns the inclusion complexation of dimethoate (DMT) in β-cyclodextrin (β-CD) molecule cage using a 1:1 stoichiometry. interactions between DMT and β-CD were evaluated PM7 DFT water gas, CAMB3LYP functional 6-31G(d,p) basis set. All approaches agree with optimal 3D structure, which includes full cavity. Complexation, LUMO, HOMO energies computed. natural bond orbital (NBO)...

Powdery mildew is a common, economically important disease in the wheat growing area of Serbia. A large-scale virulence survey its causal agent Blumeria graminis f. sp. tritici population was performed period 1995–2013. total 1013 isolates were recovered from collected chasmothecial samples. Among them, 862 unique pathotypes identified using differential set 20 lines with known powdery (Pm) res...

Docking and quantum-chemical methods have been used for screening of drug-like compounds from the own database Voronezh State University to find inhibitors SARS-CoV-2 main protease, an important enzyme coronavirus responsible COVID-19 pandemic. Using SOL program more than 42000 3D molecular structures were docked into active site 1000 ligands with most negative values score selected further pro...

Fusarium fujikuroi, causing bakanae disease, is one of the most important seedborne pathogens rice, detection which paramount for seed certification and preventing field infections. Molecular tests—qPCR loop-mediated isothermal amplification (LAMP)—are replacing blotter test in health procedures, due to higher sensitivity, specificity, fast turnaround results delivery, on-site application possi...