Clustering Cu-S based compounds using periodic table representation and compositional Wasserstein distance.

Crystal structure similarity is useful for the chemical analysis of nowadays big materials databases and data mining new materials. Here we propose to use two-dimensional Wasserstein distance (earth mover's distance) to measure the compositional similarity between different compounds, based on the periodic table representation of compositions. To demonstrate the effectiveness of our approach, 1586 Cu-S based compounds are taken from the inorganic crystal structure database (ICSD) to form a validation dataset.

Structural Repair of Reduced Graphene Oxide Promoted by Single-Layer Graphene.

High-temperature graphitization of graphene oxide (GO) is a crucial step for enhancing interlayer stacking and repairing the in-plane defects of reduced graphene oxide (rGO) films. However, the fine control of the structural repair and reducing the energy consumption in thermal treatment remain challenges. In this study, ab-initio molecular dynamics simulations combined with experiments are used to investigate the structural evolution of rGO upon thermal annealing, with or without the presence of single-layer graphene (SLG).

Implementation and evaluation of whole-course-based Internet Hospital Outpatient Pharmacy Services: a cross-sectional study in western China.

Background: In recent years, the development of telemedicine and eHealth services has led to the rapid worldwide growth of Internet hospitals, which played a significant role during the coronavirus disease 2019 (COVID-19) pandemic. However, little is known about the characteristics and safety of Internet hospital outpatient pharmacy services (IHOPSs), which represent a new model of pharmaceutical services.

Objective: This study aimed to reveal the comprehensive characteristics and safety of whole-course-based IHOPSs in a general tertiary hospital in western China.

Relationship between clinical features and distant metastases in rectal cancer predicted based on a nomogram: a retrospective cohort study.

Rectal cancer is a prevalent global malignancy. Recurrence and metastasis significantly impact patient survival over the long term. This study aims to identify independent risk factors associated with distant metastases in rectal cancer (RC) patients and develop a prognostic columnar-line diagram.

Microelectricity enhances aerobic granular sludge granulation and sulfamethazine degradation: Performance, mechanism, antibiotic resistance genes and microbial community.

With the widespread use of typical antibiotics such as sulfamethazine (SMT), it leads to their accumulation in the environment, increasing the risk of the spread of antibiotic resistance genes (ARGs). Aerobic granular sludge (AGS) has shown great potential in treating antibiotic wastewater. However, the long cultivation period of AGS, the easy disintegration of particles and the poor stability of degradation efficiency for highly concentrated antibiotic wastewater are still urgent problems that need to be solved, and it is important to explore the migration and changes of ARGs and microbial diversity in AGS systems.