ChemFREE: a one-stop comprehensive platform for ecological and environmental risk evaluation of chemicals in one health world.

Addressing health and safety crises stemming from various environmental and ecological issues is a core focus of One Health (OH), which aims to balance and optimize the health of humans, animals, and the environment. While many chemicals contribute significantly to our quality of life when properly used, others pose environmental and ecological health risks. Recently, assessing the ecological and environmental risks associated with chemicals has gained increasing significance in the OH world. In silico models may address time-consuming and costly challenges, and fill gaps in situations where no experimental data is available. However, despite their significant contributions, these assessment models are not web-integrated, leading to user inconvenience. In this study, we developed a one-stop comprehensive web platform for freely evaluating the eco-environmental risk of chemicals, named ChemFREE (Chemical Formula Risk Evaluation of Eco-environment, available in http://chemfree.agroda.cn/chemfree/). Inputting SMILES string of chemicals, users will obtain the assessment outputs of ecological and environmental risk, etc. A performance evaluation of 2935 external chemicals revealed that most classification models achieved an accuracy rate above 0.816. Additionally, the $Q_{F1}^2$ metric for regression models ranges from 0.618 to 0.898. Therefore, it will facilitate the eco-environmental risk evaluation of chemicals in the OH world.

PlantPAD: a platform for large-scale image phenomics analysis of disease in plant science.

Plant disease, a huge burden, can cause yield loss of up to 100% and thus reduce food security. Actually, smart diagnosing diseases with plant phenomics is crucial for recovering the most yield loss, which usually requires sufficient image information. Hence, phenomics is being pursued as an independent discipline to enable the development of high-throughput phenotyping for plant disease. However, we often face challenges in sharing large-scale image data due to incompatibilities in formats and descriptions provided by different communities, limiting multidisciplinary research exploration. To this end, we build a Plant Phenomics Analysis of Disease (PlantPAD) platform with large-scale information on disease. Our platform contains 421 314 images, 63 crops and 310 diseases. Compared to other databases, PlantPAD has extensive, well-annotated image data and in-depth disease information, and offers pre-trained deep-learning models for accurate plant disease diagnosis. PlantPAD supports various valuable applications across multiple disciplines, including intelligent disease diagnosis, disease education and efficient disease detection and control. Through three applications of PlantPAD, we show the easy-to-use and convenient functions. PlantPAD is mainly oriented towards biologists, computer scientists, plant pathologists, farm managers and pesticide scientists, which may easily explore multidisciplinary research to fight against plant diseases. PlantPAD is freely available at http://plantpad.samlab.cn.

PDDD-PreTrain: A Series of Commonly Used Pre-Trained Models Support Image-Based Plant Disease Diagnosis.

Plant diseases threaten global food security by reducing crop yield; thus, diagnosing plant diseases is critical to agricultural production. Artificial intelligence technologies gradually replace traditional plant disease diagnosis methods due to their time-consuming, costly, inefficient, and subjective disadvantages. As a mainstream AI method, deep learning has substantially improved plant disease detection and diagnosis for precision agriculture. In the meantime, most of the existing plant disease diagnosis methods usually adopt a pre-trained deep learning model to support diagnosing diseased leaves. However, the commonly used pre-trained models are from the computer vision dataset, not the botany dataset, which barely provides the pre-trained models sufficient domain knowledge about plant disease. Furthermore, this pre-trained way makes the final diagnosis model more difficult to distinguish between different plant diseases and lowers the diagnostic precision. To address this issue, we propose a series of commonly used pre-trained models based on plant disease images to promote the performance of disease diagnosis. In addition, we have experimented with the plant disease pre-trained model on plant disease diagnosis tasks such as plant disease identification, plant disease detection, plant disease segmentation, and other subtasks. The extended experiments prove that the plant disease pre-trained model can achieve higher accuracy than the existing pre-trained model with less training time, thereby supporting the better diagnosis of plant diseases. In addition, our pre-trained models will be open-sourced at https://pd.samlab.cn/ and Zenodo platform https://doi.org/10.5281/zenodo.7856293.

4,5-Epoxycholestane-3,6-diols: templates for generating the full set of eight cholestane-3,5,6-triol stereoisomers in multigram scales, but not for a cholestane-3,4,6-triol.

Cholestane-3beta,5alpha,6beta-triol is an extensively studied biologically important oxysterol. The full set of eight cholestane-3,5,6-triol stereoisomers was synthesised in diastereomerically pure forms by the stereoselective cleavage of eight diastereomerically pure 4,5-epoxycholestane-3,6-diols with LiAlH4, in high yields on multigram scales and without chromatography for most of them. However, applying various reportedly successful combinations of a hydride donor and a Lewis acid to the same substrates under a variety of conditions failed to generate a single unsubstituted cholestane-3,4,6-triol. The products of the eight cholestane-3,5,6-triol stereoisomers will serve as a good probe in the study of biological functions of oxysterols in a biological process.

Synthesis and cytotoxicity of a novel 1-alkylaminomethyl-2,4-diaryl-butadiene-1,3 fragment integrated within cyclohex(pent)enes.

A group of 1-alkylaminomethyl-2-aryl-3-arylidenecyclohex(pent)enes 3a-n with a 1-alkylaminomethyl-2,4-diaryl-1,3-butadiene fragment and a group of their congeners 3-alkylaminomethyl-1,2-diarylcyclohexene 7a-f have been synthesised for the first time. The conjugated system in 1-alkylaminomethyl-2-aryl-3-arylidenecyclohex(pent)enes 3a-n was unambiguously confirmed by X-ray crystallography. Cytotoxicity tests revealed that 3a-n possess inconsistent cytotoxicity against cancer cells, not their congeners 7a-f.