Design of chitosan/boehmite biocomposite for the removal of anionic and nonionic dyes from aqueous solutions: Adsorption isotherms, kinetics, and thermodynamics studies.

This study introduces a chitosan/boehmite biocomposite as an efficient adsorbent for removing anionic Congo Red (CR) and non-ionic Bromothymol Blue (BTB) from water. Boehmite nanoparticles were synthesized using the Sol-gel method and then attached to chitosan particles using sodium tripolyphosphate through co-precipitation method. Characterized through FTIR, FE-SEM, BET, and XRD, the biosorbent displayed structural integrity with optimized pH conditions of 3 for CR and 4 for BTB, achieving over 90 % adsorption within 30 min. Pseudo second order kinetics model and Langmuir isotherm revealed monolayer sorption with capacities of 64.93 mg/g for CR and 90.90 mg/g for BTB. Thermodynamics indicated a spontaneous and exothermic process, with physisorption as the primary mechanism. The biosorbent demonstrated excellent performance and recyclability over five cycles, highlighting its potential for eco-friendly dye removal in contaminated waters.

The Chemical Space of Terpenes: Insights from Data Science and AI.

Terpenes are a widespread class of natural products with significant chemical and biological diversity, and many of these molecules have already made their way into medicines. In this work, we employ a data science-based approach to identify, compile, and characterize the diversity of terpenes currently known in a systematic way, in a total of 59,833 molecules. We also employed several methods for the purpose of classifying terpene subclasses using their physicochemical descriptors. Light gradient boosting machine, k-nearest neighbours, random forests, Gaussian naïve Bayes and Multilayer perceptron were tested, with the best-performing algorithms yielding accuracy, F1 score, precision and other metrics all over 0.9, thus showing the capabilities of these approaches for the classification of terpene subclasses. These results can be important for the field of phytochemistry and pharmacognosy, as they allow the prediction of the subclass of novel terpene molecules, even when biosynthetic studies are not available.

Preoperative high-dose atorvastatin for prevention of atrial fibrillation after cardiac surgery: a randomized controlled trial.

OBJECTIVE: The preventative effect of statins on postoperative atrial fibrillation has been hypothesized. However, all studies to date have examined patients who did not receive statins before their further allocation to treatment or no treatment. Because guidelines recommend the routine use of statins in patients with coronary artery disease, we set out to examine the effect of intensive statin pretreatment versus continuation of usual statin dose on atrial fibrillation after cardiac surgery. METHODS: Patients receiving routine statin treatment and undergoing coronary artery bypass surgery or aortic valve replacement with no history of atrial fibrillation or antiarrhythmic medication were randomized to receive atorvastatin 80 mg or atorvastatin 10 mg for 7 days before surgery in a single-blind fashion. The primary end point was the development of postoperative atrial fibrillation during hospital stay. RESULTS: A total of 104 consecutive patients were included. Postoperative atrial fibrillation occurred in 33 patients (32.4%). No significant differences were found in demographics, medical history, or intraoperative variables between treatment groups, with the exception of higher rate of ß-blocker use in the atorvastatin 10 mg group (75% vs 53%, P = .002) and previous myocardial infarction (62% vs 42%, P = .049). The incidence of postoperative atrial fibrillation was lower in the atorvastatin 80 mg group when compared with the atorvastatin 10 mg group, but this difference did not reach statistical significance (29% vs 36%, P = .43). CONCLUSIONS: High-dose atorvastatin for 7 days before cardiac surgery conferred a nonsignificant reduction in postoperative atrial fibrillation when compared with a low-dose regimen. A larger study would be necessary to confirm the beneficial effect of high-dose statins in this setting.