Search results for "bilayers"

showing 10 items of 140 documents

Solid state NMR analysis of peptides in membranes: Influence of dynamics and labeling scheme.

2010

The functional state of a membrane-active peptide is often defined by its conformation, molecular orientation, and its oligomeric state in the lipid bilayer. These "static" structural properties can be routinely studied by solid state NMR using isotope-labeled peptides. In the highly dynamic environment of a liquid crystalline biomembrane, however, the whole-body fluctuations of a peptide are also of paramount importance, although difficult to address and most often ignored. Yet it turns out that disregarding such motional averaging in calculating the molecular alignment from orientational NMR-constraints may give a misleading, if not false picture of the system. Here, we demonstrate that t…

Models MolecularLipid BilayersBiophysicsPeptideWhole body fluctuationBiochemistryProtein Structure SecondaryOrientation (geometry)Side chainLipid bilayerNuclear Magnetic Resonance BiomolecularNMR tensor orientationchemistry.chemical_classificationChemistrySolid-state 2H- 19F- 15N-NMRPeptide orientationMembrane ProteinsBiological membraneCell BiologyGALAMembrane-bound peptidePISEMACrystallographyMembraneSolid-state nuclear magnetic resonanceChemical physicsIsotope LabelingHelixIsotope labeling schemeα-helicesPeptide dynamicPeptidesBiochimica et biophysica acta
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Modulation of lipid-induced ER stress by fatty acid shape.

2011

IF : 5,709; International audience; Exposure of pancreatic β cells to long-chain saturated fatty acids (SFA) induces a so-called endoplasmic reticulum (ER) stress that can ultimately lead to cell death. This process is believed to participate in insulin deficiency associated with type 2 diabetes, via a decrease in β-cell mass. By contrast, some unsaturated fatty acid species appear less toxic to the cells and can even alleviate SFA-induced ER stress. In the present study, we took advantage of a simple yeast-based model, which brings together most of the trademarks of lipotoxicity in human cells, to screen fatty acids of various structures for their capacity to counter ER stress. Here we dem…

Models MolecularLipid Bilayers[SDV.BC.BC]Life Sciences [q-bio]/Cellular Biology/Subcellular Processes [q-bio.SC]Endoplasmic ReticulumBiochemistry03 medical and health sciences0302 clinical medicine[ SDV.BBM.BC ] Life Sciences [q-bio]/Biochemistry Molecular Biology/Biomolecules [q-bio.BM]Structural BiologyStress PhysiologicalGeneticsHumansadipocyte protein 2[SDV.BBM.BC]Life Sciences [q-bio]/Biochemistry Molecular Biology/Biochemistry [q-bio.BM]Molecular BiologyUnsaturated fatty acidCells CulturedPhospholipids030304 developmental biologychemistry.chemical_classification0303 health sciencesbiologyEndoplasmic reticulumFatty Acids[ SDV.BC.BC ] Life Sciences [q-bio]/Cellular Biology/Subcellular Processes [q-bio.SC]food and beveragesFatty acidCell BiologyLipidsCell biologychemistryLipotoxicityFree fatty acid receptorUnfolded protein responsebiology.proteinFatty Acids Unsaturated030217 neurology & neurosurgeryPolyunsaturated fatty acid
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Influence of Whole-Body Dynamics on 15N PISEMA NMR Spectra of Membrane Proteins: A Theoretical Analysis

2009

AbstractMembrane proteins and peptides exhibit a preferred orientation in the lipid bilayer while fluctuating in an anisotropic manner. Both the orientation and the dynamics have direct functional implications, but motions are usually not accessible, and structural descriptions are generally static. Using simulated data, we analyze systematically the impact of whole-body motions on the peptide orientations calculated from two-dimensional polarization inversion spin exchange at the magic angle (PISEMA) NMR. Fluctuations are found to have a significant effect on the observed spectra. Nevertheless, wheel-like patterns are still preserved, and it is possible to determine the average peptide til…

Models MolecularMagic angleRotationGaussianLipid BilayersNormal DistributionBiophysicsMolecular physicsProtein Structure SecondarySpectral lineQuantitative Biology::Subcellular ProcessesMolecular dynamicssymbols.namesakeNuclear magnetic resonanceOrientationComputer SimulationLipid bilayerAnisotropyNuclear Magnetic Resonance BiomolecularQuantitative Biology::BiomoleculesChemistryMembranePolarization (waves)AmplitudesymbolsDimyristoylphosphatidylcholinePeptidesBiophysical Journal
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New antitumoral acetogenin ‘Guanacone type’ derivatives: Isolation and bioactivity. Molecular dynamics simulation of diacetyl-guanacone

2007

We describe herein the isolation and semisynthesis of four acetogenin derivatives (1-4) as well as their ability to inhibit the mitochondrial respiratory chain and several tumor cell lines. In addition, four nanoseconds (ns) of MD simulation of compound 4, in a fully hydrated POPC bilayer, is reported.

Models MolecularMagnetic Resonance SpectroscopyAcetogeninsStereochemistryLipid BilayersClinical BiochemistryMolecular ConformationRespiratory chainPharmaceutical ScienceBiochemistryChemical synthesisAnnonaElectron TransportLactoneschemistry.chemical_compoundPolyketideCell Line TumorDrug DiscoveryHumansComputer SimulationFuransMolecular BiologyPOPCBilayerOrganic ChemistryHydrogen BondingAntineoplastic Agents PhytogenicSemisynthesisMitochondrial respiratory chainchemistrySeedsAcetogeninPhosphatidylcholinesMolecular MedicineIndicators and ReagentsFatty AlcoholsBioorganic & Medicinal Chemistry
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Mechanical Properties of Pore-Spanning Lipid Bilayers Probed by Atomic Force Microscopy

2006

AbstractWe measure the elastic response of a free-standing lipid membrane to a local indentation by using an atomic force microscope. Starting point is a planar gold-coated alumina substrate with a chemisorbed 3-mercaptopropionic acid monolayer displaying circular pores of very well defined and tunable size, over which bilayers composed of N,N,-dimethyl-N,N,-dioctadecylammonium bromide or 1,2-dioleoyl-3-trimethylammonium-propane chloride were spread. Centrally indenting these “nanodrums” with an atomic force microscope tip yields force-indentation curves, which we quantitatively analyze by solving the corresponding shape equations of continuum curvature elasticity. Since the measured respon…

Models MolecularMaterials scienceMembrane FluidityLipid BilayersBiophysicsAnalytical chemistryFOS: Physical sciencesMechanicsMicroscopy Atomic ForceCurvatureIndentation hardnessHardnessIndentationMonolayerComputer SimulationHardness TestsParticle SizeComposite materialElasticity (economics)Lipid bilayerPhysics::Biological PhysicsMembranesFlexural modulus20399 Classical Physics not elsewhere classifiedElasticityMembraneModels ChemicalStress MechanicalPorosityBiophysical Journal
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Field theoretic study of bilayer membrane fusion: I. Hemifusion mechanism

2003

Self-consistent field theory is used to determine structural and energetic properties of metastable intermediates and unstable transition states involved in the standard stalk mechanism of bilayer membrane fusion. A microscopic model of flexible amphiphilic chains dissolved in hydrophilic solvent is employed to describe these self-assembled structures. We find that the barrier to formation of the initial stalk is much smaller than previously estimated by phenomenological theories. Therefore its creation it is not the rate limiting process. The barrier which is relevant is associated with the rather limited radial expansion of the stalk into a hemifusion diaphragm. It is strongly affected by…

Models MolecularMembrane FluidityLipid BilayersStatic ElectricityBiophysicsFOS: Physical sciencesCondensed Matter - Soft Condensed Matter010402 general chemistryCurvatureQuantitative Biology - Quantitative MethodsMembrane Fusion01 natural sciencesQuantitative Biology::Subcellular Processes03 medical and health sciencesElectromagnetic FieldsMetastabilityPhase (matter)Computer SimulationLipid bilayerQuantitative Methods (q-bio.QM)030304 developmental biology0303 health sciencesFusionMembranesChemistryBilayerLipid bilayer fusionMembranes Artificial0104 chemical sciencesCrystallographyMembraneModels ChemicalChemical physicsFOS: Biological sciencesSoft Condensed Matter (cond-mat.soft)Porosity
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Pore Formation by a Bax-Derived Peptide: Effect on the Line Tension of the Membrane Probed by AFM

2007

AbstractBax is a critical regulator of physiological cell death that increases the permeability of the outer mitochondrial membrane and facilitates the release of the so-called apoptotic factors during apoptosis. The molecular mechanism of action is unknown, but it probably involves the formation of partially lipidic pores induced by Bax. To investigate the interaction of Bax with lipid membranes and the physical changes underlying the formation of Bax pores, we used an active peptide derived from helix 5 of this protein (Bax-α5) that is able to induce Bax-like pores in lipid bilayers. We report the decrease of line tension due to peptide binding both at the domain interface in phase-separa…

Models MolecularMembrane FluidityProtein ConformationLipid BilayersBiophysicsPeptide bindingPeptideMicroscopy Atomic ForceProtein structureBcl-2-associated X proteinMembrane fluiditySurface TensionComputer SimulationLipid bilayerbcl-2-Associated X Proteinchemistry.chemical_classificationLiposomeMembranesbiologyChemistryCell biologyMembraneModels ChemicalLiposomesbiology.proteinPorosityBiophysical Journal
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2NH and 3OH are crucial structural requirements in sphingomyelin for sticholysin II binding and pore formation in bilayer membranes.

2013

AbstractSticholysin II (StnII) is a pore-forming toxin from the sea anemone Stichodactyla heliantus which belongs to the large actinoporin family. The toxin binds to sphingomyelin (SM) containing membranes, and shows high binding specificity for this lipid. In this study, we have examined the role of the hydrogen bonding groups of the SM long-chain base (i.e., the 2NH and the 3OH) for StnII recognition. We prepared methylated SM-analogs which had reduced hydrogen bonding capability from 2NH and 3OH. Both surface plasmon resonance experiments, and isothermal titration calorimetry measurements indicated that StnII failed to bind to bilayers containing methylated SM-analogs, whereas clear bind…

Models MolecularPore Forming Cytotoxic ProteinsMembrane permeabilizationLipid BilayersBiophysicsCalorimetryta3111Biochemistrychemistry.chemical_compoundCnidarian VenomsAnimalsComputer SimulationLipid bilayerta116Binding selectivityUnilamellar LiposomesPhosphocholineBinding SitesMolecular StructureChemistryHydrogen bondVesicleta1182Isothermal titration calorimetryHydrogen BondingCell BiologySurface Plasmon ResonanceProtein Structure TertiarySphingomyelinsKineticsMembraneSea AnemonesBiochemistryMolecular dockingIsothermal titration calorimetryBiophysicsPhosphatidylcholinesSphingomyelinProtein BindingBiochimica et biophysica acta
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Monolayer curvature stabilizes nanoscale raft domains in mixed lipid bilayers

2013

According to the lipid raft hypothesis, biological lipid membranes are laterally heterogeneous and filled with nanoscale ordered "raft" domains, which are believed to play an important role for the organization of proteins in membranes. However, the mechanisms stabilizing such small rafts are not clear, and even their existence is sometimes questioned. Here we report the observation of raft-like structures in a coarse-grained molecular model for multicomponent lipid bilayers. On small scales, our membranes demix into a liquid ordered (lo) and a liquid disordered (ld) phase. On large scales, phase separation is suppressed and gives way to a microemulsion-type state that contains nanometer si…

Models MolecularQuantitative Biology - Subcellular ProcessesLiquid ordered phaseLipid BilayersFOS: Physical sciencesCondensed Matter - Soft Condensed Matter010402 general chemistry01 natural sciences03 medical and health sciencesMembrane MicrodomainsPhase (matter)MonolayerLipid bilayer phase behaviorPhysics - Biological PhysicsLipid bilayerLipid raftSubcellular Processes (q-bio.SC)030304 developmental biology0303 health sciencesMultidisciplinaryChemistryRaftElasticity0104 chemical sciencesCrystallographyMembraneModels ChemicalBiological Physics (physics.bio-ph)FOS: Biological sciencesPhysical SciencesBiophysicsSoft Condensed Matter (cond-mat.soft)lipids (amino acids peptides and proteins)
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Interaction of Heparins and Dextran Sulfates with a Mesoscopic Protein Nanopore

2009

A mechanism of how polyanions influence the channel formed by Staphylococcus aureus alpha-hemolysin is described. We demonstrate that the probability of several types of polyanions to block the ion channel depends on the presence of divalent cations and the polyanion molecular weight and concentration. For heparins, a 10-fold increase in molecular weight decreases the half-maximal inhibitory concentration, IC(50), nearly 10(4)-fold. Dextran sulfates were less effective at blocking the channel. The polyanions are significantly more effective at reducing the conductance when added to the trans side of this channel. Lastly, the effectiveness of heparins on the channel conductance correlated wi…

Models MolecularStereochemistryBacterial ToxinsLipid BilayersMolecular ConformationBiophysicsmacromolecular substancesDivalentIonchemistry.chemical_compoundHemolysin ProteinsCysteineChannels and TransportersLipid bilayerIon channelchemistry.chemical_classificationMesoscopic physicsHeparinCell MembraneElectric Conductivitytechnology industry and agricultureConductanceDextransNanostructuresNanoporeDextranchemistryLiposomesMutationBiophysicsPorosityProtein BindingBiophysical Journal
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