Evaluation of Fifteen 5,6-Dihydrotetrazolo[1,5-]quinazolines Against : Integrating In Vitro Studies, Molecular Docking, QSAR, and In Silico Toxicity Assessments.

(), the second most prevalent Candida pathogen globally, has emerged as a major clinical threat due to its ability to develop high-level azole resistance. In this study, two new 5,6-dihydrotetrazolo[1,5-]quinazoline derivatives ( and ) were synthesized and characterized using IR, LC-MS, H, and C NMR spectra. Along with 13 previously reported analogues, these compounds underwent in vitro antifungal testing against clinical isolates using a serial dilution method (0.

Bioisosteric Replacement in the Search for Biologically Active Compounds: Design, Synthesis and Anti-Inflammatory Activity of Novel [1,2,4]triazino[2,3-c]quinazolines.

Designing novel biologically active compounds with anti-inflammatory properties based on condensed quinazolines is a significant area of interest in modern medicinal chemistry. In the present study, we describe the development of promising new bioactive molecules through the bioisosteric replacement of a carbon atom with a sulfur atom in anti-inflammatory agents, specifically 3-methyl-2-oxo-2-[1,2,4]triazino[2,3-]quinazolin-6-yl)butanoate. Design and synthetic studies have led to the series of previously unknown substituted 2-[((3-R-2-oxo-2-[1,2,4]triazino[2,3-]quinazolin-6-yl)methyl)thio]carboxylic acids and their esters.

Influence of triphosphine ligand coordination geometry in Mn(I) hydride complexes [(PPP)(CO)MnH] on their kinetic hydricity.

Octahedral Mn(I) complexes bearing tridentate donor ligands [(LL'L'')(CO)MnX] have recently emerged as major players in catalytic (de)hydrogenation processes. While most of these systems are still based on structurally rigid pincer scaffolds imposing a meridional coordination mode, for some more flexible tridentate ligands a facial arrangement of donor moieties becomes possible. Accordingly, the geometry of the corresponding Mn(I) hydrides [(LL'L'')(CO)MnH] directly involved in the catalytic processes, namely the nature of the donor extremity located in the -position of the hydride (CO and L for - and -configurations, respectively) may influence their hydride transfer ability.

Photoisomerization Paths of α,ω-Diphenylpolyenes: Reaction Rate Dependence on Temperature, Excitation Wavelength, and Deuteration.

The photoisomerization rate of -stilbene (tS) and trans-trans-diphenylbutadiene (ttD) is studied in solution and compared to that in jet/gas. Rice-Ramsperger-Kassel-Marcus (RRKM) theory correctly predicts the tS rate in jet, = exp(-/) with = 1398 cm, and = 1.8 ps corresponding to frequency ν = 60 cm of the reactive mode, being the molecular temperature.

Intelligent Human Operator Mental Fatigue Assessment Method Based on Gaze Movement Monitoring.

Modern mental fatigue detection methods include many parameters for evaluation. For example, many researchers use human subjective evaluation or driving parameters to assess this human condition. Development of a method for detecting the functional state of mental fatigue is an extremely important task.