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Microwave-activated carbons from tucuma (Astrocaryum aculeatum) seed for efficient removal of 2-nitrophenol from aqueous solutions
Activated carbons (ACs) prepared from tucumã seed (Astrocaryum aculeatum) were used for...
Adsorption of perfluoroalkyl substances (PFAS) in groundwater by granular activated carbons: Roles of hydrophobicity of PFAS and carbon characteristics
ABSTRACT: The adsorption breakthrough behavior of nine perfluoroalkyl substances (PFAS) in...
Assessment of river sediment toxicity: Combining empirical zebrafish embryotoxicity testing with in silico toxicity characterization
ABSTRACT: Quantitative chemical analyses of 428 organic contaminants (OCs) indicated the presence...
Synthesis, Pharmacology, and Molecular Docking Studies on 6-Desoxo-N-methylmorphinans as Potent Opioid Receptor Agonists
Position 6 of the morphinan skeleton plays a key role in the -opioid receptor (MOR) activity in...
Current computational methods for predicting protein interactions of natural products
Natural products (NPs) are an indispensable source of drugs and they have a better coverage of the...
Optimization of Physicochemical Properties for 4‐Anilinoquinoline Inhibitors of Plasmodium falciparum Proliferation
We recently reported the medicinal chemistry reoptimization of a known human tyrosine kinase...
Construction of histidine-containing hydrocarbon stapled cell penetrating peptides for in vitro and in vivo delivery of siRNAs
ABSTRACT: A hydrocarbon stapled peptide based strategy was used to develop an optimized cell...
Following the oxidation state of organosulfur compounds with NMR: Experimental data versus DFT calculations and database-powered NMR prediction
The thioether-sulfoxide-sulfone oxidation ladder is a feature significant for drug synthesis and...
Visualizing complex compounds in lab research - matching ELN with hosted Marvin JS for digitization
Visualizing complex compounds in lab research - matching ELN with hosted Marvin JS for digitization...
Sorption and Desorption Mechanisms of Cationic and Zwitterionic Per- and Polyfluoroalkyl Substances in Natural Soils: Thermodynamics and Hysteresis
Sorption linearity and reversibility are implicit in models for the fate and transport of per- and...
Ligand-Based Virtual Screening Using Tailored Ensembles: A Prioritization Tool for Dual A2A Adenosine Receptor Antagonists / Monoamine Oxidase B Inhibitors
Virtual Screening methodologies have emerged as efficient alternatives for the discovery of new...
BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identifcation
A number of computational tools for metabolism prediction have been developed over the last 20...