The effect of the Acetonitrile/Benzene mixture composition on excited state intramolecular proton transfer in 3-hydroxyflavone (3HF) was studied by means of density functional theory (DFT) and time-dependent DFT (TDDFT). The static dielectric constant ε is considered as a polarity parameter to characterize the composition of the two mixed solvents. We used the B3LYP/6-31G(d) level of theory for all the calculations of various properties (structural, electronic, spectroscopic, photophysical) in both ground and excited states.
View Article and Find Full Text PDFAcinetobacter baumannii is a significant pathogen responsible for resistant recalcitrant infections and outbreaks in hospitals worldwide, which is of much concern. The main goal of the present study is to determine the levels of antibiotic resistance in recent clinical isolates of Acinetobacter baumannii and to investigate the presence of diverse resistance determinants among these isolates and also to correlate these findings. A total of 133 A.
View Article and Find Full Text PDFBackground: Centrifugal compressors are dynamic machines utilizing a rotating impeller, efficiently accelerate incoming gases, transforming kinetic energy into pressure energy for compression. They serve a wide range of industries, including air conditioning, refrigeration, gas turbines, industrial processes, and applications such as air compression, gas transportation, and petrochemicals, demonstrating their versatility. Designing a centrifugal compressor poses challenges related to achieving high aerodynamic efficiency, surge and choke control, material selection, rotor dynamics, cavitation, erosion, and addressing environmental considerations while balancing costs.
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