ZNCL2/ALCL3/SILICA (ZAS) AS AN EFFECTIVE HETEROGENEOUS CATALYST FOR THE SYNTHESIS OF 5-RYLOXYTETRAZOLES

A simple and efficient method for preparation of 5-aryloxy tetrazoles (3a-h) from arylcyanates (1a-h) with using ZnCl2/AlCl3/silica (ZAS) as an effective heterogeneous catalyst in solvent free are described with excellent yields and high purity. The rate of product formation was enhanced by introduction of electron donating substituents. The 1H NMR and chemical shifts and multiplicities are also discussed

N95 respirator mask breathing leads to excessive carbon dioxide inhalation and reduced heat transfer in a human nasal cavity

Face masks and respirators are used to filter inhaled air, which may contain airborne droplets and high particulate matter (PM) concentrations. The respirators act as a barrier to the inhaled and exhaled air, which may change the nasal airflow characteristics and air-conditioning function of the nose. This study aims to investigate the nasal airflow dynamics during respiration with and without an N95 respirator driven by airflow through the nasal cavity to assess the effect of the respirator on breathing conditions during respiration. To achieve the objective of this study, transient computational fluid dynamics simulations have been utilized. The nasal geometry was reconstructed from high-resolution Computed Tomography scans of a healthy 25-year-old female subject. The species transport method was used to analyze the airflow, temperature, carbon dioxide (CO(2)), moisture content (H(2)O), and temperature distribution within the nasal cavity with and without an N95 respirator during eight consecutive respiration cycles with a tidal volume of 500 ml. The results demonstrated that a respirator caused excessive CO(2) inhalation by approximately [Formula: see text] greater per breath compared with normal breathing. Furthermore, heat and mass transfer in the nasal cavity was reduced, which influences the perception of nasal patency. It is suggested that wearers of high-efficiency masks that have minimal porosity and low air exchange for CO(2) regulation should consider the amount of time they wear the mask

Exhaled Jet and Viral-Laden Aerosol Transport from Nasal Sneezing

The recognition that the spread of COVID-19 is primarily through airborne transmission has brought renewed urgency to understand the spread of aerosols generated from patients. Viral-laden aerosols generated from oral coughs have been well studied; however, aerosols generated from nasal sneezing has been overlooked. This scenario arises from patients who suffer allergenic rhinosinusitis, or the nasal cavity is irritated, particularly during naso-endoscopy. Nasal sneezing is characterised by an explosive blast of air exiting the nostrils, which can be considered as dual jets, resulting in the spread of viral-laden aerosols remaining suspended in the air. This study used computational fluid dynamics consisting of a hybrid RANS-LES turbulence method to model the airflow and the discrete phase model to track aerosol dispersion during nasal sneezing. The results demonstrated that the exhaled airflow jets during nasal sneezing resemble the flow characteristics of two parallel jets in co-flow. These two jets interfere with each other in the merging zone, and after they merge, the sneeze plume expands radially. The nasal sneeze forms a V-shaped plume with smaller particles in the core region. At the end of the sneeze, when the exhaled jets have lost their initial momentum, the large particle dispersion is dominated by gravity. We detected the presence of a 'sneeze puff' that transport droplets away from the body, similar to the buoyant puff observed in recent COVID-19 studies of oral coughs

Evaluation of the Conductor-like Screening Model for Real Solvents for the Prediction of the Water Activity Coefficient at Infinite Dilution in Ionic Liquids

Ionic liquids (ILs) have attracted great attention, from both industry and academia, as alternative fluids for very different types of applications. The large number of cations and anions allow a wide range of physical and chemical characteristics to be designed. However, the exhaustive measurement of all these systems is impractical, thus requiring the use of a predictive model for their study. In this work, the predictive capability of the conductor-like screening model for real solvents (COSMO-RS), a model based on unimolecular quantum chemistry calculations, was evaluated for the prediction water activity coefficient at infinite dilution, gamma(infinity)(w), in several classes of ILs. A critical evaluation of the experimental and predicted data using COSMO-RS was carried out. The global average relative deviation was found to be 27.2%, indicating that the model presents a satisfactory prediction ability to estimate gamma(infinity)(w) in a broad range of ILs. The results also showed that the basicity of the ILs anions plays an important role in their interaction with water, and it considerably determines the enthalpic behavior of the binary mixtures composed by Its and water. Concerning the cation effect, it is possible to state that generally gamma(infinity)(w) increases with the cation size, but it is shown that the cation-anion interaction strength is also important and is strongly correlated to the anion ability to interact with water. The results here reported are relevant in the understanding of ILs-water interactions and the impact of the various structural features of its on the gamma(infinity)(w) as these allow the development of guidelines for the choice of the most suitable lLs with enhanced interaction with water