Neurodesk: an accessible, flexible and portable data analysis environment for reproducible neuroimaging.

Neuroimaging research requires purpose-built analysis software, which is challenging to install and may produce different results across computing environments. The community-oriented, open-source Neurodesk platform ( https://www.neurodesk.org/ ) harnesses a comprehensive and growing suite of neuroimaging software containers. Neurodesk includes a browser-accessible virtual desktop, command-line interface and computational notebook compatibility, allowing for accessible, flexible, portable and fully reproducible neuroimaging analysis on personal workstations, high-performance computers and the cloud.

Neurodesk: An accessible, flexible, and portable data analysis environment for reproducible neuroimaging.

Neuroimaging data analysis often requires purpose-built software, which can be challenging to install and may produce different results across computing environments. Beyond being a roadblock to neuroscientists, these issues of accessibility and portability can hamper the reproducibility of neuroimaging data analysis pipelines. Here, we introduce the Neurodesk platform, which harnesses software containers to support a comprehensive and growing suite of neuroimaging software (https://www.neurodesk.org/). Neurodesk includes a browser-accessible virtual desktop environment and a command line interface, mediating access to containerized neuroimaging software libraries on various computing platforms, including personal and high-performance computers, cloud computing and Jupyter Notebooks. This community-oriented, open-source platform enables a paradigm shift for neuroimaging data analysis, allowing for accessible, flexible, fully reproducible, and portable data analysis pipelines.

Electrochemically activated peroxymonosulfate with mixed metal oxide electrodes for sulfadiazine degradation: Mechanism, DFT study and toxicity evaluation.

Electrochemically activated peroxymonosulfate with mixed metal oxide electrodes (EA-PMS-MMO/MMO) is an emerging advanced oxidation process. It performed well on the degradation of sulfadiazine (SDZ), whose removal rate reached 81.13% within 30 min. Both the MMO anode and cathode played an irreplaceable role in PMS activation. HO•, SO4•-, O2•- and 1O2 were confirmed to be the major reactive species in the system, among which 1O2 was the most abundant. The generation mechanism of the reactive species and the overall mechanism of the system were proposed. Four degradation pathways of SDZ were speculated based on density functional theory. The acute and chronic toxicity of SDZ and its degradation intermediates was evaluated by the quantitative structure-activity relationship method, and the overall toxicity was significantly reduced after the degradation by EA-PMS-MMO/MMO. The results show that EA-PMS-MMO/MMO affords a reliable technology for the degradation of organic contaminants and has promising potential for application.