Separation of xylene isomers is an important process in the chemical industry and there has been considerable interest in developing advanced materials for xylene separation. In this study, we synergize computational screening and machine learning to explore the selective adsorption of p-xylene over o- and m-xylene in metal–organic frameworks (MOFs). First, a large set (4764) of computation-ready experimental MOFs is screened by geometric analysis and molecular simulation. The relationships between MOF structural descriptors (void fraction, volumetric surface area, and largest cavity diameter) and separation performance metrics (adsorption capacity of p-xylene N p ‑xylene and selectivity of p-xylene over o- and m-xylene S p /(m+o)) are established. Then two machine-learning methods (back-propagation neural network and decision tree), as well as particle swarm optimization, are utilized to analyze and optimize N p ‑xylene and S p /(m+o). The importance of each descriptor for separation is evaluated in six different MOF data sets. In the 100 top-performing MOFs, the pore limiting diameter (PLD) and largest cavity diameter (LCD) are revealed to be key factors governing separation performance. On the basis of the threshold values of N p ‑xylene > 0.5 mol/kg and S p /(m+o) > 5, seven top-performing MOFs are identified. By further incorporating framework flexibility, JIVFUQ is predicted to be the best and superior to many reported MOFs in the literature.

Background: Postoperative sleep disorder is common in elderly surgery patients, and it often worsens their recovery after surgery. This study aimed to explore the effect of intraoperative dexmedetomidine dose on postoperative sleep quality. Methods: Based on information regarding dexmedetomidine use during surgery from an electronic medical record system, 4,349 elderly surgery patients were divided into three groups: 1,374 without intraoperative use of dexmedetomidine (Non-DEX), 917 with dexmedetomidine 0.1-0.2 µg/kg/h (Low-DEX), and 2,058 with dexmedetomidine >0.2 µg/kg/h (High-DEX). The numerical rating scale (NRS) for sleep disturbance during the first night after surgery was recorded, and the incidence of NRS ≥ 6 was considered the primary outcome. Results: NRS (P < 0.001) and incidence of severe sleep disturbance (P < 0.001) were lower in patients receiving intraoperative dexmedetomidine than in those without the intraoperative use of dexmedetomidine. Patients in the Low-DEX group had the lowest incidence, followed by those in the High-DEX and Non-DEX groups (6.7% vs. 13.7% vs. 19.5%). After propensity score matching, 906 pairs of elderly surgery patients were included in the Low-DEX and High-DEX groups, and the Low-DEX group had lower NRS (2.7 ± 2.1 vs. 3.1 ± 2.4, P < 0.001) than the High-DEX group. The incidence of severe sleep disturbance was lower in the Low-DEX group than in the High-DEX group (6.6% vs. 12.8%) with an odds rate of 0.48 (95% confidence interval, 0.35 to 0.67). Conclusions: For elderly patients, intraoperative dexmedetomidine use can significantly improve the quality of the first night sleep after surgery. Low-dose (0.1-0.2 µg/kg/h) dexmedetomidine can have an improvement effect on sleep quality, and it is recommended to improve the quality of postoperative sleep.

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Review question / Objective: To compare the effects of propofol-based total intravenous anesthesia with inhalation anesthesia on long-term survival of cancer surgery. (1) Patients: all patients undergoing cancer surgery with intravenous or inhalation anesthesia. (2) Intervention: propofol-based total intravenous anesthesia. (3) Comparator: inhalation anesthesia. (4) Outcomes: overall survival, recurrence- free or disease-free survival. (5) Study design: randomized-controlled trials and observational studies (prospective or retrospective). Information sources: We will systematically search the following electronic databases (PubMed, Medline, Embase, and the Cochrane Library) from inception to July 2022 for eligible studies. Any potentially relevant studies will be manually searched based on the references of the identified studies.