Predicting the Anti-SARS-CoV-2 Potential of Isoquinoline Alkaloids from Brazilian Siparunaceae Species Using Chemometric Tools.

The COVID-19 pandemic has caused over 7 million deaths globally in the past four years. spp. (Siparunaceae), which is used in Brazilian folk medicine, is considered a genus with potential antiviral alternatives.

Open-source delay discounting assessment software: Development and usability.

Delay discounting (DD) describes the tendency of individuals to devalue the worth of a reward as a function of the delay in receiving it. DD is impaired in many clinical conditions and changes across development. Many existing automated DD tasks are built on copyrighted software and primarily designed for English speakers, which hinders content editing and accessibility.

The influence of halogen-mediated interactions on halogen abstraction reactions by formyl radicals.

This article reports a theoretical study on the halogen exchange reactions YX + CHO → Y + XCHO (with Y = F, Cl, Br; X = Cl, Br, I) carried out at a high level of accuracy using coupled-cluster based methodologies including CCSD(T)-F12, CCSD(T)/CBS and CCSDT(Q). Most of the reactions are exothermic at room temperature, with the exception of the reactions FI + CHO → F + ICHO and ClI + CHO → Cl + ICHO. Exothermicity follows two concurrent trends established by the strength of the bonds being cleaved and formed: Y = F < Cl < Br (X-Y bond strength) and X = Cl > Br > I (C-X bond strength).

Muscular Performance and Blood Pressure After Different Pre-Strength Training Strategies in Recreationally Strength-Trained Women: Cross-Over Trial.

Background: This study aimed to investigate the acute effects of different pre-ST strategies on muscular performance and blood pressure (BP) responses in recreationally strength-trained women.

Methods: Twelve overweight women with normal BP were recruited and performed six experimental protocols in a randomized order: (1) control protocol (CC), where BP was assessed without exercises performed; (2) ST; (3) foam rolling warm-up followed by ST (FR + ST); (4) specific warm-up followed by ST (SW + ST); (5) aerobic exercise followed by ST (AE + ST); and (6) stretching exercises followed by ST (SE + ST). ST consisted of three sets at 80% of 10 repetition maximum with a self-suggested rest interval between sets for bench press, back squat, bench press 45°, front squat, lat pull-down, leg press, shoulder press, and leg extension.

Toluidine blue O demethylated photoproducts as type II photosensitizers.

Toluidine blue O (TBO) is a type I-type II photosensitizer that has shown good efficacy and selectivity in antimicrobial and anticancer photodynamic therapy applications. However, its complex photochemistry with multiple photoproducts hinders its application as a photosensitizer. We have previously described the mechanism for photooxidative demethylation of TBO which in acetonitrile yields two main products: demethylated-TBO (d-TBO) and double-demethylated-TBO (dd-TBO).