Dispensing of zolpidem and benzodiazepines in Brazilian private pharmacies: a retrospective cohort study from 2014 to 2021.

Objective: The study aimed to evaluate Zolpidem and Benzodiazepines prescription and dispensing data in private pharmacies in Brazil from 2014 to 2021. Methods: This retrospective cohort study was carried out with retrospective open data from the Brazilian Federal Government from January 2014 to August 2021 containing medicines registered in the National Controlled Products Management System (SNGPC).

Results: Between January 2014 and August 2021, a total of 32,441,392 sales of thirteen drugs from the z-drug and benzodiazepine classes used to treat sleep disorders were recorded in Brazil.

The Structure of Carbon Dioxide at the Air-Water Interface and its Chemical Implications.

The efficient reduction of CO into valuable products is a challenging task in an international context marked by the climate change crisis and the need to move away from fossil fuels. Recently, the use of water microdroplets has emerged as an interesting reaction media where many redox processes which do not occur in conventional solutions take place spontaneously. Indeed, several experimental studies in microdroplets have already been devoted to study the reduction of CO with promising results.

Triplet State Radical Chemistry: Significance of the Reaction of SO with HCOOH and HNO.

The triplet excited states of sulfur dioxide can be accessed in the UV region and have a lifetime large enough that they can react with atmospheric trace gases. In this work, we report high level ab initio calculations for the reaction of the aB and bA excited states of SO with weak and strong acidic species such as HCOOH and HNO, aimed to extend the chemistry reported in previous studies with nonacidic H atoms (water and alkanes). The reactions investigated in this work are very versatile and follow different kinds of mechanisms, namely, proton-coupled electron transfer () and conventional hydrogen atom transfer () mechanisms.

Reactivity of Monoethanolamine at the Air-Water Interface and Implications for CO Capture.

The development of CO-capture technologies is key to mitigating climate change due to anthropogenic greenhouse gas emissions. These cover a number of technologies designed to reduce the level of CO emitted into the atmosphere or to eliminate CO from ambient air. In this context, amine-based sorbents in aqueous solutions are broadly used in most advanced separation techniques currently implemented in industrial applications.

Anaerobic digestion of crude glycerol from biodiesel production for biogas generation: Process optimization and pilot scale operation.

Anaerobic digestion of wastes and wastewater is a complex process that can be affected by many operational parameters. In this context, the purpose of the present study was to optimize biogas production using crude glycerol (GLY) generated in biodiesel production from waste cooking oil without pretreatment or nutrient supplementation. The study was divided into two parts: the first phase consisted of an experimental design based on central composite design (CCD) with two variables (food to microorganism (F/M) ratio and cycle time) at five levels (F/M of 0.

CONSTRUCTION AND VALIDATION OF A BUNDLE FOR EVALUATION OF THYROID FUNCTION IN PATIENTS WITH CIRRHOSIS.

Thyroid dysfunction has been reported in association with several chronic diseases, including advanced liver disease. •The bundle discussed here is aimed at proposing systematic assistance according to the best evidence-based practices available. •The process of constructing and validating the bundle was carried out in the following stages: a) bibliographic survey; b) bundle elaboration; and c) content validation.

Electrostatics and Chemical Reactivity at the Air-Water Interface.

It has been recently discovered that chemical reactions at aqueous interfaces can be orders of magnitude faster compared to conventional bulk phase reactions, but despite its wide-ranging implications, which extend from atmospheric to synthetic chemistry or technological applications, the phenomenon is still incompletely understood. The role of strong electric fields due to space asymmetry and the accumulation of ions at the interface has been claimed as a possible cause from some experiments, but the reorganization of the solvent around the reactive system should provide even greater additional electrostatic contributions that have not yet been analyzed. In this study, with the help of first-principles molecular dynamics simulations, we go deeper into this issue by a careful assessment of solvation electrostatics at the air-water interface.

Disentangling reaction rate acceleration in microdroplets.

We have investigated the origin of the unexpected, recently discovered phenomenon of reaction rate acceleration in water microdroplets relative to bulk water. Acceleration factors for reactions of atmospheric and synthetic relevance can be dissected into elementary contributions thanks to the original and versatile kinetic model. The microdroplet is partitioned in two sub-volumes, the surface and the interior, operating as interconnected chemical reactors in the fast diffusion regime.

Fast Sulfate Formation Initiated by the Spin-Forbidden Excitation of SO at the Air-Water Interface.

The multiphase oxidation of SO to sulfate in aerosol particles is a key process in atmospheric chemistry. However, there is a large gap between the observed and simulated sulfate concentrations during severe haze events. To fill in the gaps in understanding SO oxidation chemistry, a combination of experiments and theoretical calculations provided evidence for the direct, spin-forbidden excitation of SO to its triplet states using UVA photons at an air-water interface, followed by reactions with water and O that facilitate the rapid formation of sulfate.

Photosensitization mechanisms at the air-water interface of aqueous aerosols.

Photosensitization reactions are believed to provide a key contribution to the overall oxidation chemistry of the Earth's atmosphere. Generally, these processes take place on the surface of aqueous aerosols, where organic surfactants accumulate and react, either directly or indirectly, with the activated photosensitizer. However, the mechanisms involved in these important interfacial phenomena are still poorly known.

Reactivity of Undissociated Molecular Nitric Acid at the Air-Water Interface.

Recent experiments and theoretical calculations have shown that HNO may exist in molecular form in aqueous environments, where in principle one would expect this strong acid to be completely dissociated. Much effort has been devoted to understanding this fact, which has huge environmental relevance since nitric acid is a component of acid rain and also contributes to renoxification processes in the atmosphere. Although the importance of heterogeneous processes such as oxidation and photolysis have been evidenced by experiments, most theoretical studies on hydrated molecular HNO have focused on the acid dissociation mechanism.

The Aqueous Surface as an Efficient Transient Stop for the Reactivity of Gaseous NO in Liquid Water.

The heterogeneous reaction of NO with water on diverse surfaces is broadly considered as a possible source of atmospheric HONO in dark conditions, but the associated mechanisms are not fully understood. We report data from first-principles simulations showing that the lifetime of the putative reactive NO dimer on the surface of pure water droplets is too small to host the whole process. One infers from our results that the hydrolysis of NO in clouds must be catalyzed by organic or inorganic species adsorbed on the droplets.

Photoinduced Oxidation Reactions at the Air-Water Interface.

Chemistry on water is a fascinating area of research. The surface of water and the interfaces between water and air or hydrophobic media represent asymmetric environments with unique properties that lead to unexpected solvation effects on chemical and photochemical processes. Indeed, the features of interfacial reactions differ, often drastically, from those of bulk-phase reactions.

Isoprene Reactivity on Water Surfaces from ab initio QM/MM Molecular Dynamics Simulations.

Isoprene is the most abundant volatile organic compound in the atmosphere after methane. While gas-phase processes have been widely studied, the chemistry of isoprene in aqueous environments is less well known. Nevertheless, some experiments have reported unexpected reactivity at the air-water interface.

Vibrational Sum-Frequency Generation Spectroscopy in the Energy Representation from Dual-Level Molecular Dynamics Simulations.

We report a cost-effective molecular dynamics approach to calculate sum-frequency generation (SFG) vibrational spectra of molecular species at liquid interfaces in the energy representation formalism that brings together the instantaneous normal mode (INM) analysis at free-energy minima (FEM) and the dual-level free-energy perturbation (FEP) methods. This combined FEP-INM-FEM approach allows analyzing SFG spectra in terms of normal mode contributions at very-high ab initio levels, in contrast to standard time-correlation function (TCF)-based methods, from which it can be considered complementary. It is applied here to the study of the CH-stretching band of methanol at the air-water interface, which has been thoroughly studied in the literature.

Combined Endodontic and Surgical Therapy for Resolution of Type III Dens Invaginatus.

is an abnormal dental developmental, probably resulting of the invagination of mineralized tissues from the tooth crown surface before its calcification. The teeth that are most affected by this abnormality are the maxillary lateral incisors. This dental developmental anomaly has various types and the rarest is type III which has the worst prognosis, because of its complex anatomy.

Vibrational Spectroscopy in Solution through Perturbative ab Initio Molecular Dynamics Simulations.

We have developed a method that allows computing the vibrational spectra at a high quantum mechanical level for molecules in solution or other complex systems. The method is based on the use of configurational samplings from combined QM/MM molecular dynamics simulations and the use of perturbation theory to calculate accurate molecular properties. Such calculations provide in addition accurate free energy gradient vectors and Hessian matrices and thus open the door for the characterization of stationary points in free energy landscapes and the study of chemical reaction mechanisms in large disordered systems.

Atmospheric Spectroscopy and Photochemistry at Environmental Water Interfaces.

The air-water interface is ubiquitous in nature, as manifested in the form of the surfaces of oceans, lakes, and atmospheric aerosols. The aerosol interface, in particular, can play a crucial role in atmospheric chemistry. The adsorption of atmospheric species onto and into aerosols modifies their concentrations and chemistries.