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Noncovalent interaction of methylene blue dye cation (MB+) with single walled carbon nanotubes (CNT) is characterized by molecular dynamics (MD) simulation, quantum chemical calculations, and laser desorption/ionization (LDI) mass spectrometry.. It has previously been used for cyanide poisoning and urinary tract infections, but this use is no longer recommended.. Methylene blue, also known as methylthioninium chloride, is a medication and dye.

As a medication, it is mainly used to treat methemoglobinemia Specifically, it is used to treat methemoglobin levels that are greater than 30% or in which there are symptoms despite oxygen therapy.. The MD simulation of the (MB+)n–CNT (n = 1–10) complexes in water demonstrates that the MB+ cations are adsorbed on the nanotube surface in the.

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