Search results for "Biomolecules"
showing 10 items of 549 documents
Electronic Excitation Energy Transfer between Two Single Molecules Embedded in a Polymer Host
2007
Unidirectional electronic excitation energy transfer from a photoexcited donor chromophore to a ground state acceptor chromophore - both linked by a rigid bridge - has been investigated by low temperature high-resolution single molecule spectroscopy. Our approach allows for accurately accessing static disorder in the donor and acceptor electronic transitions and to calculate the spectral overlap for each couple. By plotting the experimentally determined transfer rates against the spectral overlap, we can distinguish and quantify Förster- and non-Förster-type contributions to the energy transfer.
Visualizing a protein quake with time-resolved X-ray scattering at a free-electron laser
2014
We describe a method to measure ultrafast protein structural changes using time-resolved wide-angle X-ray scattering at an X-ray free-electron laser. We demonstrated this approach using multiphoton excitation of the Blastochloris viridis photosynthetic reaction center, observing an ultrafast global conformational change that arises within picoseconds and precedes the propagation of heat through the protein. This provides direct structural evidence for a 'protein quake': the hypothesis that proteins rapidly dissipate energy through quake-like structural motions. peerReviewed
STATISTICAL MECHANICS OF NONCLASSIC SOLITONIC STRUCTURES-BEARING DNA SYSTEM
2011
We theoretically investigate the thermodynamic properties of modified oscillator chain proposed by Peyrard and Bishop. This model obtained by adding the quartic anharmonicity term to the coupling in the Peyrard–Bishop model is useful to model the coexistence of various phases of the molecule during the denaturation phenomenon. Within the model, the negative anharmonicity is responsible for the sharpness of calculated melting curves. We perform the transfer integral calculations to demonstrate that the model leads to a good agreement with known experimental results for DNA.
Solvent Effects on Electronically Excited States Using the Conductor-Like Screening Model and the Second-Order Correlated Method ADC(2).
2015
The conductor-like screening model (COSMO) is used to treat solvent effects on excited states within a correlated method based on the algebraic-diagrammatic construction through second-order ADC(2). The origin of solvent effects is revisited, and it is pointed out that two types of contributions have to be considered. One effect is due to the change of the solute's charge distribution after excitation, which triggers a reorganization of the solvent. Initially, only the electronic degrees of freedom adapt to the new charge distribution (nonequilibrium case); for sufficiently long-lived states, the reorientation of the solvent molecules contributes, as well (equilibrium case). The second effe…
Taming conformational heterogeneity in and with vibrational circular dichroism spectroscopy
2019
Chemical science 10, 7680 -7689 (2019). doi:10.1039/C9SC02866H
Noise effects in two different biological systems
2009
We investigate the role of the colored noise in two biological systems: (i) adults of Nezara viridula (L.) (Heteroptera: Pentatomidae), and (ii) polymer translocation. In the first system we analyze, by directionality tests, the response of N. viridula individuals to subthreshold signals plus noise in their mating behaviour. The percentage of insects that react to the subthreshold signal shows a nonmonotonic behaviour, characterized by the presence of a maximum, as a function of the noise intensity. This is the signature of the non-dynamical stochastic resonance phenomenon. By using a “soft” threshold model we find that the maximum of the input-output cross correlation occurs in the same ra…
Anomalous Fluctuations of Nematic Order in Solutions of Semiflexible Polymers
2016
The nematic ordering in semiflexible polymers with contour length $L$ exceeding their persistence length $\ell_p$ is described by a confinement of the polymers in a cylinder of radius $r_{eff}$ much larger than the radius $r_\rho$, expected from the respective concentration of the solution. Large scale Molecular Dynamics simulations combined with Density Functional Theory are used to locate the Isotropic-Nematic ($I-N$)-transition and to validate this cylindrical confinement. Anomalous fluctuations, due to chain deflections from neighboring chains in the nematic phase are proposed. Considering deflections as collective excitations in the nematically ordered phase of semiflexible polymers el…
Lepton asymmetries and primordial hypermagnetic helicity evolution
2012
The hypermagnetic helicity density at the electroweak phase transition (EWPT) exceeds many orders of magnitude the galactic magnetic helicity density. Together with previous magnetic helicity evolution calculations after the EWPT and hypermagnetic helicity conversion to the magnetic one at the EWPT, the present calculation completes the description of the evolution of this important topological feature of cosmological magnetic fields. It suggests that if the magnetic field seeding the galactic dynamo has a primordial origin, it should be substantially helical. This should be taken into account in scenarios of galactic magnetic field evolution with a cosmological seed.
Excitation Transport in Helical Proteins
1994
Recent results for excitation dynamics in and IR-absorption spectrum of helical polypeptides are briefly reviewed.
Membrane-mediated Protein-protein Interaction: A Monte Carlo Study
2012
We investigate membrane-mediated interactions between transmembrane proteins using coarse-grained models. We compare the effective potential of mean force (PMF) between two proteins, which are always aligned parallel to the z-axis of the simulation box, with those PMFs obtained for proteins with fluctuating orientations. The PMFs are dominated by an oscillatory packing-driven contribution and a smooth attractive hydrophobic mismatch contribution, which vanishes if the hydrophobic length of the protein matches the thickness of the membrane. If protein orientations are allowed to fluctuate, the oscillations are greatly reduced compared to proteins with fixed orientation. Furthermore, the hydr…