To understand ion permeation, one must assign correct ionization states to titratable amino acid residues in protein channels. We report on the effects of physical and methodological assumptions in calculating the protonation states at neutral bulk pH of titratable residues lining the lumen of the native Escherichia coli OmpF channel, and five mutants. We systematically considered a wide range ...

Using the CORSIKA shower simulation package, the spatial distribution of energy deposited by the shower in the atmosphere through ionization is obtained and the distribution of light arriving to the detector is calculated. The resulting shower image is compared with that obtained using the NKG distribution of particles in the shower and a constant fluorescence yield. Taking into account the dis...

The problem of dissociative ionization at intermediate intensities ( 10(10)-10(12) W cm(-2)) was studied using the example of I2 and the technique of velocity map imaging. Several new phenomena were observed, including a continuous distribution of recoil energies peaked at zero-kinetic energy, a set of constant dissociative ionic states, and strong anisotropy of the fragment velocity distributi...

the ionization effects of charged particles produced in neutron interactions for boron neutroncapture therapy are considered here using srim monte carlo code. the estimated values of these effects ina plexiglas acrylic phantom are shown to agree well with the available experimental values in high boronconcentration areas. as expected, the ionization effects from lithium and alpha particles are ...

The study of the rate and rate constants in the alcoholysis of n-caproyl chloride in acetone and acetonitrile, reveals that SN2 mechanism is more favourable than SN1. A plot of logarithm of rate constant against the logarithm of molar concentration of alcohol gives a straight line with a slope close to 1.1 and that with respect to water is 1.5 both in acetone and acetonitrile. This shows that i...

1. The inactivating effect of soft x-rays on trypsin in solutions of various degrees of concentration has been studied. 2. It has been found to run parallel with spontaneous heat inactivation. It is almost, if not entirely, confined to the free or active trypsin. 3. Under radiation of constant intensity, the inactivation follows the simple exponential law which indicates a monomolecular reactio...

We present a comparison between experimental and theoretical results for pump/probe multiphoton ionizing transitions of the sodium dimer, initiated by femtosecond laser pulses. It is shown that the motion of vibrational wave packets in two electronic states is probed simultaneously and their dynamics is reflected in the total Na~ ion signal which is recorded as a function of the time delay betw...