The paper simulates systems in which two types of spin waves can occur, propagating in opposite directions. To achieve this, the quantum slow-wave approximation is employed, allowing for the determination of the probability distribution of occupied states in a quantum two-particle system subjected to perturbations, commonly referred to as Rabi oscillations. This model is specifically applied to a configuration of parallel nanowires exposed to an external electromagnetic wave within the microwave range. The study explores a potential application of the investigated nanostructures in the development of a device for detecting electromagnetic fields. Molecular crystals and liquid crystalVolume 768, 2024 - Issue 9,Published online: 06 May 2024,pp.179-186.
TheanalysisofthesystemofprofessionaltrainingofmedicalworkersinEuropeancountriesmadeitpossibletorevealthepresenceof a widerangeofelementaryspecialisttrainingprogramsandqualificationlevelsforthetrainingofjuniorspecialist (licensee) andbachelorofmedicalknowledge.Thesystemofpersonalparametersofprofessionalreadinessincludessuchparametersasmotivational, orientational, operational, volitionalandevaluative. Thestartingmotivationalindicatorsofthestudiedgroupsturnedouttobequiteclose, withthesamepreferenceforinternalmotives, focusedonthecontentandnatureofmedicalactivity, andexternal, narrowlypersonalmotives. Theorientationofthebehaviorofthestudentsofthesegroupsinprofessionalactivitieswasdeterminedthroughfourtypesoforientations: towardsoneself; toofficialsubordination; onthepsychologicalclimateandrelationships; onbusinessThemeasurementoftheoperationalparameterofprofessionalreadinesswascarriedoutaccordingtothemethod "Motivationforchoosing a medicalprofession" by A. Vasylkova. Themeasurementofthefeaturesofthemanifestationofthevolitionalparameterinprofessionalactivitywascarriedouttwice - afterthefirstindustrialandpre-diplomainternships. Theevaluationparameterofprofessionalreadinesswascarriedoutbasedontheresultsoftheevaluationofprofessionalreadiness by threesubjectsafterthestudentscompletedindustrialpracticebasedontheresultsofrelevantknowledgeandskills.Weconsideritappropriatetointroduceadditionalspecializations (physicianof a preschool (school) educationalinstitution, medicalassistant (assistant), specialistinthefieldofmanagement - medicalrepresentative, etc.) andfurtherimprovementof a specialistinthefieldofpostgraduateeducation, whichwillprovideethicalanddeontologicalopportunitiesfortheprofessionalreadinessofmedicalworkersandsubobjectivecontroloverproductionsituationsof a narrowerrange.ThatiswhymodernUkrainiantrainingofthefuturemedicalspecialististhemostoptimaloptioninthedevelopmentofeducationalandprofessionalprograms, takingintoaccounttheaboveparameters.
Combined in silico strategy for molecular mechanisms exploration of a series 3H-thiazolo[4,5-b]pyridin-2-ones exhibiting strong anti-exudative action through QSAR analysis, molecular docking and pharmacophore modelling is reported. GA-ML technique was used for QSAR models generation with 2D autocorrelation descriptors. One- and two-parameter regressions revealed that certain structural patterns or heteroatoms contribute mutually to the anti-exudative activity potentiation. Possible action mechanisms were discovered through flexible docking simulations with cyclooxygenase pathway enzymes (COX-1, COX-2, mPGES-1). Docking results indicated the possibility of stable complexes formation with the effective docking scores and proper orientation of ligands within the enzymes active sites. Pharmacophore modelling was carried out using protein-ligand interaction fingerprints methodology. Two- and three-centre 3D pharmacophore queries were constructed. Their analysis indicated the functionality of bicyclic thiazolopyridine scaffold proved by the steric placement of heteroatoms in the corresponding pharmacophore centres.
A quantitative structure-activity relationship (QSAR) study has been carried out for 32 N3 substituted 3H-thiazolo[4,5-b]pyridin-2-onederivatives as potential antioxidant drug candidates. The genetic algorithm (GA) and multiple linear regression analysis (MLRA) were used as appropriate techniques for descriptor selection and correlation model generation. The four best regressions for predicting the ability to scavenge the DPPH radical were generated as three-parameter QSAR models with the highest statistical characteristics and predictive power. It was shown that a set of 2D, 3D, and Molecular properties descriptors play a crucial role in antioxidant activity enhancement. Small hydrophilic molecules with the minimal distance of specific atoms and fragments from the center of mass, neglectable electronic density redistribution between the distant atoms, and molecules keeping strong symmetry of electronegative atoms along the 1st principal component axe exhibit higher activity. Validation parameters of the generated models allow us to state that they satisfy the statistical requirements for their goodness-of-fitting with no current overfitting. The predictive ability of the constructed models was assessed with both internal and external validation approaches and estimated with the leave-one-out and leave-group-out cross-validation coefficients (Q2LOO and Q2LGO). The values of Q2LOO (0.7060 ¸ 0.7480) and Q2LGO (0.6647 ¸ 0.7711) are reasonable, showing that the models are significant and robust to predict the free radical scavenging activity of the compounds from both training and validation sets. Applicability domain-defining technique was employed in the obtained models, and indicated that most structures were adequately represented by the chemical space of the models.
The present microreview systematizes recent advances in the synthetic approaches for novel thiazolo[4,5-b]-pyridines and summarizes pharmacological effects they were found to possess. In particular, modern synthetic techniques for thiazolo[4,5-b]pyridine bicyclic scaffold construction starting from thiazole or thiazolidine derivatives followed by pyridine annulation, which results in the target fused thiazolo[4,5-b]pyridines, are analyzed.