Tracking the turnover of SARS-CoV-2 VOCs Gamma to Delta in a Brazilian state (Minas Gerais) with a high-vaccination status.

The emergence and global dissemination of Severe Acute Respiratory Syndrome virus 2 (SARS-CoV-2) variants of concern (VOCs) have been described as the main factor driving the Coronavirus Disease 2019 pandemic. In Brazil, the Gamma variant dominated the epidemiological scenario during the first period of 2021. Many Brazilian regions detected the Delta variant after its first description and documented its spread. To monitor the introduction and spread of VOC Delta, we performed Polymerase Chain Reaction (PCR) genotyping and genome sequencing in ten regional sentinel units from June to October 2021 in the State of Minas Gerais (MG). We documented the introduction and spread of Delta, comprising 70 per cent of the cases 8 weeks later. Comparing the viral loads of the Gamma and Delta dominance periods, we provide additional evidence that the latter is more transmissible. The spread and dominance of Delta did not culminate in the increase in cases and deaths, suggesting that the vaccination may have restrained the epidemic growth. Analysis of 224 novel Delta genomes revealed that Rio de Janeiro state was the primary source for disseminating this variant in the state of MG. We present the establishment of Delta, providing evidence of its enhanced transmissibility and showing that this variant shift did not aggravate the epidemiological scenario in a high immunity setting.

Molecular Dynamics Simulation Study of the Far-Infrared Spectrum of a Deep Eutectic Solvent.

Deep eutectic solvents (DESs) are similar to ionic liquids (IL) in terms of physicochemical properties and technical uses. In ILs, far-infrared (FIR) spectroscopy has been utilized to reveal ionic interactions and even to produce a signature of the strengthening of the cation-anion hydrogen bond. However, for the situation of the DES, where the mixing of a salt and a molecular species makes the interplay between multiple intermolecular interactions even more complex, a full investigation of FIR spectra is still absent. In this work, the FIR spectrum of the DES, often referred to as ethaline, which is a 1:2 mixture of choline chloride and ethylene glycol, is calculated using classical molecular dynamics (MD) simulations and compared to experimental data. To explore the induced dipole effect on the computed FIR spectrum, MD simulations were run with both nonpolarizable and polarizable models. The calculation satisfactorily reproduces the position of the peak at ∼110 cm-1 and the bandwidth seen in the experimental FIR spectrum of ethaline. The MD simulations show that the charge current is the most important contributor to the FIR spectrum, but the cross-correlation between the charge current and dipole reorientation also plays a role in the polarizable model. The dynamics of the chloride-ethylene glycol correlation span a wide frequency range, with a maximum at ∼150 cm-1, but it participates as a direct mechanism only in the charge current-dipole reorientation cross-term. Anion correlations, whose dynamics are regulated via correlation with both ethylene glycol and choline, make the most significant contribution to the charge current mechanism. The MD simulations were also utilized to investigate the effect on the FIR spectrum of adding water to the DES and switching to a 1:1 composition.

The relationship between fat-free mass index and pulmonary hyperinflation in COPD patients.

BACKGROUND AND OBJECTIVE: Reduced fat-free mass (FFM), a common finding in chronic obstructive pulmonary disease (COPD), may indirectly impact peak exercise capacity through a greater level of pulmonary hyperinflation. We aimed to investigate if FFM index (FFM/squared height) impacts exercise induced dynamic hyperinflation in COPD patients. METHODS: Fifty-four patients with moderate-to-very severe COPD performed a symptom limited incremental cardiopulmonary exercise tests with serial measurements of inspiratory capacity (IC). FFM was measured by whole-body bioelectrical impedance. RESULTS: Patients were 66.7 ± 7.7 years old with mean forced expiratory volume in 1 s (FEV1) of 1.08 ± 0.41 L (42 ± 15% of predicted). Peak exercise IC was significantly (P < 0.05) correlated with IC at rest (r = 0.78), FEV1(r = 0.66), FVC (r = 0.59), FFM (r = 0.38) and FFM index (r = 0.29). However, only FEV1 and rest IC predict peak IC (r = 0.86; P < 0.01) in a multivariate linear regression analysis. CONCLUSIONS: FFM index was weakly associated with peak exercise IC in COPD patients. However, it ceased to be an independent predictor when corrected for expiratory airflow limitation (FEV1) and lung hyperinflation at rest (rest IC).

Infective complications according to duration of antibiotic treatment in acute abdomen.

INTRODUCTION: Adjuvant antibiotic therapy for acute abdominal conditions is widely used. Its timing, duration, dose and spectrum, however, are not homogeneous amongst surgeons and prolonged courses are often used despite the unproven benefits of this practice. OBJECTIVE: To evaluate use and compare duration of antibiotic treatments in acute abdominal surgery. METHODS: Retrospective cohort study. The medical records of 290 patients who underwent operations for acute abdomen from July 1998 to July 1999 in a teaching hospital were reviewed. The pattern of antibiotic use and rates of postoperative complications were evaluated, along with surgical diagnosis, degree of contamination/infection, and incidence of postoperative complications. The patients were stratified according to the degree of contamination/infection noted during the operation. The study population was divided in two groups according to the duration of antibiotic use (cut-off point at the median antibiotic use in days, for each group of contamination/infection degree), and outcomes were compared. RESULTS: The degree of contamination/infection was significantly associated with an increased risk of wound infection, intra-abdominal abscess, postoperative infective complications and overall postoperative complications (p < 0.001). A long course of antibiotics was not associated with lower infective complication rates. CONCLUSIONS: Shorter courses of antibiotic therapy based on the degree of contamination/infection seem to be safe. A prospective study should confirm this hypothesis.