Membrane dynamic molecular organization

Sackmann, E. (1978). Dynamic molecular-organization in vesicles and membranes. Ber. Bunsen-Gesell. Phys. Chem., 82, 891-909. 

The transition of a number of phospholipid chains from an ordered to a disordered state is of direct relevance to the state of the cell membrane - it is a characteristic parameter for each phospholipid. The dynamic molecular organization in vesicles and membranes has been described in detail [15] and is shown schematically in Figure 3.3. Using the thermodynamic DSC technique, changes in phase transition... 

Ashikawa, I., J.-J. Yin, W. K. Subczynski, T. Kouyama, J. S. Hyde, and A. Kusumi. 1994. Molecular organization and dynamics in bacteriorhodopsin-rich reconstituted membranes Discrimination of lipid environments by the oxygen transport parameter using a pulse ESR spin-labeling technique. Biochemistry 33 4947 1952. 

Itel F, Chami M, Naj er A, Lorcher S, Wu D, Dinu lA, Meier W. Molecular organization and dynamics in polymersome membranes alateral diffusion study. Macromolecules 2014 47(21) 7588-96. 

Subczynski W K, Lewis RNAH, McElhaney RN, Hodges RS, Hyde JS, Kusumi A (1998) Molecular organization and dynamics of l-palmitoyl-2-oleoyl-phophatidylcholine bilayers containing a transmembrane a-helical peptide. Biochemistry 37(9) 3156-3164 Lewis RNAH, Liu E, Krivanek R, Rybar P, Elach CR, Mendelsohn R, Chen Y, Mant CT, Hodges RS, McElhaney RN (2007) Studies of the minimum hydrophobicity of a-helical peptides required to maintain a stable transmembrane association with phospholipid bilayer membranes. Biochemistry 46(4) 1042-1054... 

The aim of this Chapter is to review a method by which fluorescence properties of organic dyes can, in general, be predicted and understood at a microscopic (nm scale) by interfacing quantum methods with classical molecular dynamics (MD) methods. Some review of our extensive applications [1] of this method to the widely exploited intrinsic fluorescence probe in proteins, the amino acid tryptophan (Trp) will be followed by a discussion of electrochromic membrane voltagesensing dyes. 

Cazacu, A., Pasc-Banu, A. and Barboiu, M. (2006) Molecular and supramolecular dynamics — a versatile tool for self organization of polymeric membranes systems. Macromolecular Symposia, 245—246, 435—438. 

The several theoretical and/or simulation methods developed for modelling the solvation phenomena can be applied to the treatment of solvent effects on chemical reactivity. A variety of systems - ranging from small molecules to very large ones, such as biomolecules [236-238], biological membranes [239] and polymers [240] -and problems - mechanism of organic reactions [25, 79, 223, 241-247], chemical reactions in supercritical fluids [216, 248-250], ultrafast spectroscopy [251-255], electrochemical processes [256, 257], proton transfer [74, 75, 231], electron transfer [76, 77, 104, 258-261], charge transfer reactions and complexes [262-264], molecular and ionic spectra and excited states [24, 265-268], solvent-induced polarizability [221, 269], reaction dynamics [28, 78, 270-276], isomerization [110, 277-279], tautomeric equilibrium [280-282], conformational changes [283], dissociation reactions [199, 200, 227], stability [284] - have been treated by these techniques. Some of these... 

Membrane-Interaction (MI)-QSAR approach developed by Iyer et al. was used to develop predictive models of some organic compounds through BBB, and to simulate the interaction of a solute with the phospholipide-rich regions of cellular membranes surrounded by a layer of water. Molecular dynamics simulations were used to determine the explicit interaction of each test compound with the DMPC-water model (a model of dimyristoylphosphatidylcholine membrane monolayer, constructed using the software Material Studio according to the work done by van der Ploeg and Berendsen). Six MI-QSAR equations were constructed (Eqs. 74-79) ... 

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