An Interpretable Deep Learning and Molecular Docking Framework for Repurposing Existing Drugs as Inhibitors of SARS-CoV-2 Main Protease [0.03%]
一种可解释的深度学习和分子对接的框架，用于将现有药物重新定向为SARS-CoV-2主要蛋白酶抑制剂
Juan Huang,Jialong Gao,Qu Chen
Juan Huang
Despite the widespread use of vaccines against SARS-CoV-2, COVID-19 continues to pose global health challenges, requiring efficient drug screening and repurposing strategies. This study presents a novel hybrid framework that integrates deep...
Irrigation Regime Effects on Phenolic Composition of Portuguese Grape Varieties [0.03%]
灌溉制度对葡萄牙葡萄品种苯丙素组成的影響
Daniela Fonseca,Rosario Sánchez-Gómez,M Rosario Salinas et al.
Daniela Fonseca et al.
Climate change has led to increased extreme weather events, such as severe droughts and intense rainfall, with regions in Portugal, like Alentejo and Algarve, being particularly affected. Understanding the influence of water availability in...
The Hypothalamic Nuclei Implicated in the Regulation of Polycystic Ovary Syndrome: A Review of Its Clinical, Metabolic, and Endocrine Aspects [0.03%]
与多囊卵巢综合征调节有关的下丘脑核团：临床、代谢和内分泌方面综述
Elizabeth Vieyra,Carlos-Camilo Silva,Rosa Linares et al.
Elizabeth Vieyra et al.
Polycystic ovary syndrome (PCOS) is an endocrine and metabolic disorder characterized by a clinical and/or biochemical hyperandrogenism. In addition, PCOS is also associated with the presence of ovarian cysts, anovulation, and menstrual abn...
Gold Nanoparticles-Functionalized Ultrathin Graphitic Carbon Nitride Nanosheets for Boosting Solar Hydrogen Production: The Role of Plasmon-Induced Interfacial Electric Fields [0.03%]
用于增强太阳能产氢的金纳米粒子功能化超薄石墨碳氮纳米片：局域表面等离子体共振诱导界面电场的作用
Haidong Yu,Ziqi Wei,Qiyue Gao et al.
Haidong Yu et al.
The design of photocatalysts capable of generating localized surface plasmon resonance (LSPR) effects represents a promising strategy for enhancing photocatalytic activity. However, the mechanistic role of plasmonic nanoparticles-induced in...
Justine Elgoyhen,Radmila Tomovska
Justine Elgoyhen
This short review provides a focused overview of recent advances in catalytic systems for water purification, with particular attention to photocatalysis, Fenton-like processes, and biocatalysis. While not intended as a comprehensive survey...
CO2 Capture Performance and Preliminary Mechanistic Analysis of a Phase Change Absorbent [0.03%]
相变吸收剂的二氧化碳捕集性能及初步机理分析
Chuanyong Zhu,Yucai Zhang,Baoyue Zhang et al.
Chuanyong Zhu et al.
Phase change absorbents are deemed a promising alternative for CO2 capture due to their excellent CO2 absorption performance, good stability, and low renewable energy consumption. To address the issues of insufficient loading capacity, low ...
Choline Acetate/Water Mixtures: Physicochemical Properties and Structural Organization [0.03%]
乙酰胆碱/水混合物的理化性质和结构组织
Emanuela Mangiacapre,Zina Barhoumi,Martin Brehm et al.
Emanuela Mangiacapre et al.
In the quest for greener alternatives to conventional organic solvents, Deep Eutectic Solvents (DESs) have gained significant attention due to their sustainability, biodegradability, and tunability. The use of water as an active and genuine...
Avibactam-Cyclodextrin Inclusion Complexes: Computational and Thermodynamic Insights for Drug Delivery, Detection, and Environmental Scavenging [0.03%]
用于药物递送、检测和环境清除的阿维巴坦-环糊精包合物：计算和热力学见解
Jackson J Alcázar,Paola R Campodónico,René López
Jackson J Alcázar
The escalating crisis of multidrug resistance, together with the persistence of antibiotic residues in clinical and environmental matrices, demands integrated strategies that couple sensitive detection, efficient decontamination, and contro...
Jiacheng Jin,Mengxiang Quan,Xueyan Cao et al.
Jiacheng Jin et al.
Proteolysis-targeting chimera (PROTAC) technology has demonstrated remarkable progress in tumor therapy, attributed to its unique capability of catalytically degrading "undruggable" targets. In the context of the ongoing global health threa...
Design, Synthesis, and Pharmacological Activity of the N-(4-(1H-1,2,4-Triazol-1-yl)phenyl)-substituted-amide Derivatives [0.03%]
N-(4-(1H-1,2,4-三唑-1-基)苯基)取代酰胺衍生物的设计、合成及药理活性研究
Lina Hu,Mengjiao Li,Zheng Liu et al.
Lina Hu et al.
To discover novel, potent anticonvulsant compounds, a series of compounds containing triazole structural fragments were synthesized and evaluated for their anticonvulsant activity. Compounds 6f (maximal electroshock (MES), 50% effective dos...