Pi-pi stacking of hydrogen-bonded porphyrin and oligo(p-phenylene vinylene)s (OPVs) yields helical co-assemblies which exhibit energy transfer from OPV to porphyrin.

The regulation of cardiac cellular bioenergetics is critical for maintaining normal cell function, yet the nature of this regulation is not fully understood. Different mechanisms have been proposed to explain how mitochondrial ATP production is regulated to match changing cellular energy demand while metabolite concentrations are maintained. We have developed an integrated mathematical model of...

Ferrocene has been investigated as a platform for developing protonmotive electrostatic drivers for molecular motors. When two 3-pyridine groups are substituted to the (rapidly rotating) cyclopentadienyl (Cp) rings of ferrocene, one on each Cp, it is shown that the (Cp) eclipsed, pi-stacked rotameric conformation is preferred both in solution and in the solid state. Upon quaternization of both ...

The singlet excited states and doublet ionized/electron-attached states of o-benzoquinone (o-BQ) were studied by the symmetry adapted cluster (SAC)/SAC-configuration interaction (SAC-CI) method, and the corresponding spectral bands were assigned. The calculated transition energies reasonably reproduced the experimental spectra with the mean error of about 0.2 eV, except for the 1 1A1 states, wh...

The photoinduced hydrogen (or deuterium) detachment reaction of thiophenol (C(6)H(5)SH) or thiophenol-d(1) (C(6)H(5)SD) pumped at 243 nm has been investigated using the H (D) ion velocity map imaging technique. Photodissociation products, corresponding to the two distinct and anisotropic rings observed in the H (or D) ion images, are identified as the two lowest electronic states of phenylthiyl...

Three-state conical intersections have been located and characterized for cytosine and its analog 5-methyl-2-pyrimidinone using multireference configuration-interaction ab initio methods. The potential energy surfaces for each base contain three different three-state intersections: two different S(0)-S(1)-S(2) intersections (gs/pi pi(*)/n(N)pi(*) and gs/pi pi(*)/n(O)pi(*)) and an S(1)-S(2)-S(3)...

in this paper, at first we introduce a new index with the name co-pi index and obtain someproperties related this new index. then we compute this new index for tuc4c8(r) nanotubes.

Abstract Using the 1.32 $$\hbox {pb}^{-1}$$ pb - 1 statistics collected at $$J/\psi $$ J / ψ peak with KEDR detector VEPP-4M $$e^{+}e^{-\, }$$ e +</...

Oxygen exchange reactions in sonically prepared submitochondrial particles show a nearly absolute dependence upon added adenine nucleotides. The orthophosphate = adenosine triphosphate and the ATP e HOH exchange reactions, in contrast to the Pi s HOH exchange, are favored by presence of ADP rather than ATP, are more sensitive to p-mercuribenzoate and to 2,4-dinitrophenol, and require a higher M...

The photoelectron shake-up satellite spectra that accompany the C1s and O1s main lines of carbon monoxide have been studied by a combination of high-resolution x-ray photoelectron spectroscopy and accurate ab initio calculations. The symmetry-adapted cluster-expansion configuration-interaction general-R method satisfactorily reproduces the satellite spectra over a wide energy region, and the qu...