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Antibody Evolution Constrains Conformational Heterogeneity by Tailoring Protein Dynamics
flexibility nonlinear spectroscopy fluorscein molecular recognition
2016/5/24
The evolution of proteins with novel function is thought to start from precursor proteins that are conformationally heterogeneous. The corresponding genes may be duplicated and then mutated to select ...
Electronic and Nuclear Dynamics of the Accessory Bacteriochlorophylls in Bacterial Photosynthetic Reaction Centers from Resonance Raman Intensities
chemistry biology and medicine,basic studies chlorophyll raman spectra photosynthetic bacteria scattering energy transfer absorption spectra dynamics photosynthetic reaction centers
2016/5/23
Resonance Raman spectra and absolute Raman scattering intensities of the Franck-Condon coupled vibrational modes of the accessory bacteriochloropyhlls (B) in the photosynthetic reaction center from Rb...
Protein Relaxation Dynamics in Human Myoglobin
Protein Relaxation Dynamics Human Myoglobin
2016/5/23
Transient absorption spectra in the Soret region have been measured following the photolysis of human MbCO in 75%(w/w) glycerol:water at 250, 270, and 290 K. The peak of the transient difference spect...
Multi-nuclear NMR Studies of DNA Hairpins:1. Structure and Dynamics of d(CGCGTTGTTCGCG)
GERMANIUM DETERMINATION HYDRIDE GENERATION INDUCTIVELY COUPLED PLASMA EMISSION SPECTROMETRY MEDICINAL PLANT
2016/5/20
The solution structure of the hairpin formed by d(CGCGTTGTTCGCG) has been examined in detail by a wide variety of NMR techniques. The hairpin was characterized by proton NMR to obtain interproton dist...
Clustering, Reorientation Dynamics, and Proton Transfer In Glassy Oligomeric Solids
imidazole proton transfer reorientation
2014/11/20
We have modelled structures and dynamics of hydrogen bond networks that form from imidazoles tethered to oligomeric aliphatic backbones in crystalline and glassy phases. We have studied the behavior o...
Spectrins in axonal cytoskeletons: Dynamics revealed by extensions and fluctuations
axonal cytoskeleton Dynamics revealed extensions and fluctuations
2014/9/24
The macroscopic properties, the properties of individual components, and how those components interact with each other are three important aspects of a composited structure. An understanding of the in...
A hybrid stochastic hierarchy equations of motion approach to treat the low temperature dynamics of non-Markovian open quantum systems
A hybrid stochastic hierarchy equations low temperature dynamics non-Markovian open quantum systems
2014/9/24
The hierarchical equations of motion technique has found widespread success as a tool to generate the numerically exact dynamics of non-Markovian open quantum systems. However, its application to low ...
Higher-order kinetic expansion of quantum dissipative dynamics: Mapping quantum networks to kinetic networks
Higher-order kinetic expansion quantum dissipative dynamics Mapping quantum networks kinetic networks
2014/9/24
We apply a new formalism to derive the higher-order quantum kinetic expansion (QKE) for studying dissipative dynamics in a general quantum network coupled with an arbitrary thermal bath. The dynamics ...
Nonadiabatic Dynamics in Open Quantum-Classical Systems: Forward-Backward Trajectory Solution
Nonadiabatic Dynamics Open Quantum-Classical Systems Forward-Backward Trajectory Solution Chemical Physics
2012/5/29
A new approximate solution to the quantum-classical Liouville equation is derived starting from the formal solution of this equation in forward-backward form. The time evolution of a mixed quantum-cla...
Ehrenfest dynamics is purity non-preserving: a necessary ingredient for decoherence
Ehrenfest dynamics purity non-preserving necessary ingredient decoherence Chemical Physics
2012/5/28
We discuss the evolution of purity in mixed quantum/classical approaches to electronic nonadiabatic dynamics in the context of the Ehrenfest model. We claim that the evolution of a statistical Ehrenfe...
Making the best of mixed-field orientation of polar molecules: A recipe for achieving adiabatic dynamics in an electrostatic field combined with laser pulses
mixed-field orientation of polar molecules recipe adiabatic dynamics electrostatic field laser pulses Chemical Physics
2012/4/24
We have experimentally and theoretically investigated the mixed-field orientation of rotational-state-selected OCS molecules and we achieve strong degrees of alignment and orientation. The applied mod...
Multiscale QM/MM Molecular Dynamics Study on the First Steps of Guanine-Damage by Free Hydroxyl Radicals in Solution
Multiscale QM/MM Molecular Dynamics Study First Steps Guanine-Damage Free Hydroxyl Radicals Solution
2012/2/29
Understanding the damage of DNA bases from hydrogen abstraction by free OH radicals is of particular importance to reveal the effect of hydroxyl radicals produced by the secondary effect of radiation....
Thermal instability and runaway criteria: the dangers of disregarding dynamics
Thermal runaway Stability analysis Oscillatory thermal instability
2012/2/29
Two exemplary exothermic processes, synthesis of nitroglycerine in a continuous stirred tank reactor (CSTR) and synthesis of the explosive RDX in a CSTR, are used to demonstrate the dangers of ignorin...
Efficient Energy Transfer in Light-Harvesting Systems, III: The Influence of the Eighth Bacteriochlorophyll on the Dynamics and Efficiency in FMO
Efficient Energy Transfer Light-Harvesting Systems the Eighth Bacteriochlorophyll Dynamics and Efficiency FMO
2014/9/24
ThemostrecentcrystalstructureoftheFennaMatthewsOlson (FMO) protein complex indicates the presence of an additional eighth chromophore, which has been proposed to serve as alink between the chlorosom...
Ultrafast Dynamics Through Conical Intersections in 2,6-dimethylpyridine Studied with Time-resolved Photoelectron Imaging
2 6-dimethylpyridine Photoelectron imaging Conical intersection Internal conversion Time-resolved spectroscopy
2012/4/5
The ultrafast dynamics through conical intersections in 2,6-dimethylpyridine has been stud-ied by femtosecond time-resolved photoelectron imaging coupled with time-resolved mass spectroscopy. Upon abs...