Quantum biochemical analysis of the TtgR regulator and effectors.

The recent expansion of multidrug-resistant (MDR) pathogens poses significant challenges in treating healthcare-associated infections. Although antibacterial resistance occurs by numerous mechanisms, active efflux of the drugs is a critical concern. A single species of efflux pump can produce a simultaneous resistance to several drugs. One of the best-studied efflux pumps is the TtgABC: a tripartite resistance-nodulation-division (RND) efflux pump implicated in the intrinsic antibiotic resistance in Pseudomonas putida DOT-T1E. The expression of the TtgABC gene is down-regulated by the HTH-type transcriptional repressor TtgR. In this context, by employing quantum chemistry methods based on the Density Functional Theory (DFT) within the Molecular Fragmentation with Conjugate Caps (MFCC) approach, we investigate the coupling profiles of the transcriptional regulator TtgR in complex with quercetin (QUE), a natural polyphenolic flavonoid, tetracycline (TAC), and chloramphenicol (CLM), two broad-spectrum antimicrobial agents. Our quantum biochemical computational results show the: [i] convergence radius, [ii] total binding energy, [iii] relevance (energetically) of the ligands regions, and [iv] most relevant amino acids residues of the TtgR-QUE/TAC/CLM complexes, pointing out distinctions and similarities among them. These findings improve the understanding of the binding mechanism of effectors and facilitate the development of new chemicals targeting TtgR, helping in the battle against the rise of resistance to antimicrobial drugs. These advances are crucial in the ongoing fight against rising antimicrobial drug resistance, providing hope for a future where healthcare-associated infections can be more beneficially treated.

Efficiency of essential oils in the control of the black bean aphid Aphis craccivora Koch (Hemiptera: Aphididae).

The black aphid Aphis craccivora Koch is one of the main pests of the caupi-bean crop Vigna unguiculata (L.) Walp. Due to the need to find effective and safe methods of control, there has been an increase in research seeking natural alternatives. Thus, the objective of this work was to evaluate the potential of essential oils from jatoba Hymenaea courbaril, copaiba Copaifera langsdorffii and aroeira Schinus terebinthifolius to control nymphs and adults of A. craccivora. The oils were extracted from the leaves by the hydrodistillation method, diluted to 0.1% in distilled water with 2% dimethyl sulfoxide (DMSO). Each treatment had four repetitions, plus a control with distilled water + 2% DMSO. The biotests were conducted in two stages: the first was conducted in the laboratory, under controlled conditions of temperature, relative humidity and photophase, and the second was conducted in the greenhouse, using only the treatment with the best laboratory test results. After 24, 48, 72, 96 and 120 hours of exposure, the insect mortalities were checked. In the first phase of the experiment, the aroeira oil showed 83.33% and 75.75% efficiency of mortality in nymphs and adults, respectively. In the greenhouse tests, this same oil showed 73.52% in nymphs and 62.85% in adults, opening new perspectives regarding its use as a natural insecticide for the control of the black aphid of the bean.

Mid-pregnancy poly(I:C) viral mimic disrupts placental ABC transporter expression and leads to long-term offspring motor and cognitive dysfunction.

Limited information is available about the effect of mid-pregnancy viral infections on the placental expression of efflux transporters and offspring behavior. We hypothesized that maternal exposure to polyinosinic-polycytidylic acid [poly(I:C)], a synthetic double-stranded RNA viral mimic, would impair placental cell turnover, the expression of selected ABC transporters and adult offspring behavior. C57BL/6 mice were administered poly(I:C) (10 mg/Kg;ip) or vehicle at gestational day (GD) 13.5 (mid-pregnancy). Dams were euthanized for blood collection 4 h after injection, fetal and placental collection at GD18.5 or allowed to deliver spontaneously at term. At GD 13.5, poly(I:C) induced an acute pro-inflammatory response characterized by an increase in maternal plasma levels of IL-6, CXCL-1 and CCL-2/MCP-1. At GD 18.5, poly(I:C) decreased cell proliferation/death in the labyrinthine and increased cell death in the junctional zones, characterizing a disruption of placental cell turnover. Abca1 and Abcg1 immunolabelling was decreased in the labyrinthine zone, whereas Abca1, Abcg1 and breast cancer resistance transporter (Bcrp) expression increased in the junctional zone. Moreover, adult offspring showed motor and cognitive impairments in the Rotarod and T-water maze tests. These results indicate that viral infection during mid-pregnancy may disrupt relevant placental efflux transporters, as well as placental cell turnover and offspring behavior in adult life.

UCP2 expression is associated with weight loss after hypocaloric diet intervention.

BACKGROUND/OBJECTIVES: Although energy restriction contributes to weight loss, it may also reduce energy expenditure, limiting the success of weight loss in the long term. Studies have described how genetics contributes to the development of obesity, and uncoupling proteins 1 and 2 (UCP1 and UCP2) and beta-3-adrenoceptor (ADRB3) have been implicated in the metabolic pathways that culminate in this condition. This study aimed to evaluate how the UCP1, UCP2 and ADRB3 genes influence weight loss in severely obese women submitted to hypocaloric dietary intervention. SUBJECTS/METHODS: This longitudinal study included 21 women divided into two groups: Group 1 (Dietary intervention (G1)) consisted of 11 individuals with severe obesity (body mass index (BMI) ⩾40 kg/m2), selected for dietary intervention and Group 2 (Control (G2)) consisted of 10 normal-weight women (BMI between 18.5 and 24.9 kg/m2). Evaluation included weight (kg), height (m), waist circumference (cm), body composition, resting metabolic rate (RMR, kcal) and abdominal subcutaneous adipose tissue collection. The dietary intervention required that G1 patients remained hospitalized in the university hospital for 6 weeks receiving a hypocaloric diet (1200 kcal per day). The statistical analyses included t-test for paired samples, Spearman correlation and multivariate linear regressions, with the level of significance set at P<0.05. RESULTS: Weight (155.0±31.4-146.5±27.8 kg), BMI (58.5±10.5-55.3±9.2 kg/m2), fat-free mass (65.4±8.6-63.1±7.1 kg), fat mass (89.5±23.0-83.4±21.0 kg) and RMR (2511.6±386.1-2324.0±416.4 kcal per day) decreased significantly after dietary intervention. Multiple regression analyses showed that UCP2 expression contributed to weight loss after dietary intervention (P=0.05). CONCLUSIONS: UCP2 expression is associated with weight loss after hypocaloric diet intervention.

Contribuiçäo ao estudo da anatomia do sistema de canais radiculares de caninos inferiores utilizando-se de cortes macroscópicos e da diafanizaçäo / Anatomy study of root system of lower canines using macroscopic cuts and clarifying technique

A anatomia dos canais radiculares tem sido tema de estudos desde 1942 e mesmo com as diversas observaçöes descritas por vários autores, permaneceu-se dúvidas a respeito dos aspectos morfológicos internos de vários grupos de dentes. O presente trabalho utilizou-se de 103 (cento e três) caninos interiores extraídos, onde se analisou os aspectos macroscópicos da cavidade pulpar, utilizando-se de cortes sagital, frontal e transversais, assim como da diafanizaçäo. Notamos que, em 100 po cento dos espécimes haviam uma raiz e um único canal radicular, sendo que em 83 por cento das amostras evidenciou-se permeabilidade dentinária. Os canais secundários foram verificados em 47 por cento dos dentes, assim com 3 por cento de canais laterais, 1 por cento canal acessório e 15 por cento co delta apical. fator importante que observamos também foi que, em 42 dos espécimes o forame apical coincidia-se com o ápice radicular; 23 por cento, abria-se para vestibular, 8 por cento, para distal; 8 por cento, para mesial e 4 por cento para lingual