The kinetics of Mn(VII) oxidation of lysine in moderately sulfuric acid solutions was studiedspectrophotometrically in the presence and absence of Mn(II) as catalyst. The reaction was arrangedto be under pseudo first-order condition with respect to Mn(VII). The results showed that the pseudofirst-order rate constant increases with increasing [H2SO4], [(Mn)II], and [lysine]. The dependence ofthe...

The electronic structure of few-layer graphene (FLG) samples with crystalline order was investigated experimentally by infrared absorption spectroscopy for photon energies ranging from 0.2-1 eV. Distinct optical conductivity spectra were observed for different samples having precisely the same number of layers. The different spectra arise from the existence of two stable polytypes of FLG, namel...

Electron transfer (ET) processes in DNA are of current interest because of their involvement in oxidative strand cleavage reactions and their relevance to the development of molecular electronics. Two mechanisms have been identified for ET in DNA, a single-step tunneling process and a multistep charge-hopping process. The dynamics of tunneling reactions depend on both the distance between the e...

Here we extend a recently introduced state-to-state kinetic model describing single- and multi-quantum vibrational excitation of molecular beams of NO scattering from a Au(111) metal surface. We derive an analytical expression for the rate of electronically non-adiabatic vibrational energy transfer, which is then employed in the analysis of the temperature dependence of the kinetics of direct o...

The thermodynamics and energetics of a 20-residue synthetic peptide with a stable three-stranded antiparallel beta-sheet fold are investigated by implicit solvent molecular dynamics (MD) at 330 K (slightly above the melting temperature in the model) and compared with previous simulation results at 360 K. At both temperature values, the peptide folds reversibly to the NMR solution conformation, ...

Two-dimensional infrared photon-echo measurements of the OH stretching vibration in liquid H2O are performed at various temperatures. Spectral diffusion and resonant energy transfer occur on a time scale much shorter than the average hydrogen bond lifetime of approximately 1 ps. Room temperature measurements show a loss of frequency and, thus, structural correlations on a 50-fs time scale. Weak...

We study the translocation of stiff polymers through a nanopore, driven by the chemical-potential gradient exerted by binding proteins (chaperones) on the trans side of the pore. Bound chaperones prevent backsliding through the pore and, therefore, partially rectify the polymer passage. We show that the sequence of chain monomers with different binding affinity for the chaperones significantly ...

The influence of the energy dependence of the free NN t-matrix on the optical potential of nucleon-nucleus elastic scattering is investigated within the context of a full-folding model based on the impulse approximation. The treatment of the pole structure of the NN t-matrix, which has to be taken into account when integrating to negative energies is described in detail. We calculate proton-nuc...