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Predicting pKa
One of the most important physicochemical properties of small molecules and macromolecules are the...
Coupling stabilizers open KV1-type potassium channels
ABSTRACT: The opening and closing of voltage-gated ion channels are regulated by voltage sensors...
Responding to the Challenge Posed by the Generic Control of Substances
Drug monitoring organizations report that new psychoactive substances continue to emerge, posing...
Boost analytical experiments with phys-chem properties
Physicochemical properties have a fundamental impact on analytical experiment conditions,...
Efficient acetaminophen removal from water and hospital effluents treatment by activated carbons derived from Brazil nutshells
Abstract Activated carbons from Brazil nutshells were produced by ZnCl2-activation at different...
Preparation of CTAB-functionalized aqai stalk and its efficient application as adsorbent for the removal of Direct Blue 15 and Direct Red 23 dyes from aqueous media
ABSTRACT In this work, a new adsorbent material based on the chemical modification of aqai stalk...
Endothelial Iron Homeostasis Regulates Blood-Brain Barrier Integrity via the HIF2α—Ve-Cadherin Pathway
ChemAxon is proud to be working with the scientific communities to foster innovation and learning...
Design, Synthesis, and Characterization of Novel Small Molecules as Broad Range Antischistosomal Agents
ABSTRACT: Schistosomiasis is a major human parasitic disease afflicting more than 250 million...
Neonicotinoid insecticide design: molecular docking, multiple chemometric approaches, and toxicity relationship with Cowpea aphids
Neonicotinoids are the fastest-growing class of insecticides successfully applied in plant...
C-H Functionalizations by Palladium Carboxylates: The Acid Effect
Finding optimal reaction conditions is usually complex, requires many experiments, and is therefore...
In silico study of 4- phosphorylated derivatives of 1,3-oxazole as inhibitors of Candida albicans fructose-1,6- bisphosphate aldolase II
In this study, the synthesis, in vitro anti-Candida activity and molecular modeling of...
Calculation of the Global and Local Conceptual DFT Indices for the Prediction of the Chemical Reactivity Properties of Papuamides A–F Marine Drugs
ABSTRACT: A well-behaved model chemistry previously validated for the study of the chemical...