title: A method for analyzing the vibrational energy flow in biomolecules in solution.
abstract: A method is proposed to analyze the intra- and intermolecular vibrational energy flow occurring in biomolecules in solution during relaxation processes. It is based on the assumption that the total energy exchanged between the vibrational modes is minimal and the global process is essentially statistical. This statistical minimum flow method is shown to provide very useful information about the amount and the rate at which energy is transferred between the individual vibrations of the molecule. To demonstrate the performance of the method, an application is made to the relaxation of the amide I mode of N-methylacetamide-d in aqueous D(2)O solution which yields a detailed quantitative description of the process.
authors: Departamento de Química Física, Universidad de Murcia, 30100 Murcia, Spain.
authors: Miguel Angel
authors: MA
authors: Soler
authors: Adolfo
authors: A
authors: Bastida
authors: Marwa H
authors: MH
authors: Farag
authors: José
authors: J
authors: Zúñiga
authors: Alberto
authors: A
authors: Requena
mesh_terms: D000081:Acetamides / Q000737:chemistry*; D000465:Algorithms; D003903:Deuterium / Q000737:chemistry; D012996:Solutions / Q000737:chemistry; D013816:Thermodynamics; D014732:Vibration; D014867:Water / Q000737:chemistry*
chemical_list: D000081:Acetamides; D012996:Solutions; D014867:Water; D003903:Deuterium; C018595:N-methylacetamide