Grading of Anatomopathological Disparity in the Cases of Invasive Pulmonary Aspergillosis in wild avian species as recorded in Pigeons (), Peafowls (), and Griffon Vultures ().

Aspergillosis which is caused by , a fungal pathogen, can vary from a localized infection to severe life-threatening invasive or disseminated systemic diseases in birds. The present study aimed to evaluate and grade the anatomopathological disparity in the cases of invasive pulmonary aspergillosis (IPA) in (pigeons), (peafowls), and (Griffon vultures). Necropsy gross lesions varied from mere congestion of lungs in , congestion and large necrotizing masses surrounded by a zone of hyperemia (10 mm dia) in lungs of , and typically disseminated granuloma in the lungs, air sacs, and organs of other serous membranes in .

Chemical Dynamics Simulations of Thermal Desorption of Protonated Dialanine from a Perfluorinated Self-Assembled Monolayer Surface.

Classical chemical dynamics simulation results are presented for the thermal desorption kinetics and energetics of protonated dialanine ions (ala-H) physisorbed on/in a perfluorinated self-assembled monolayer (F-SAM) surface. Previously developed analytic potentials were used for the F-SAM and the ala-H/F-SAM intermolecular interaction, and the AMBER valence force field was used for ala-H. The activation energy, E = 13.

Mechanistic details of energy transfer and soft landing in ala2-H(+) collisions with a F-SAM surface.

Previous chemical dynamics simulations (Phys. Chem. Chem.

Energy and temperature dependent dissociation of the Na(+)(benzene)1,2 clusters: importance of anharmonicity.

Chemical dynamics simulations were performed to study the unimolecular dissociation of randomly excited Na(+)(Bz) and Na(+)(Bz)2 clusters; Bz = benzene. The simulations were performed at constant energy, and temperatures in the range of 1200-2200 K relevant to combustion, using an analytic potential energy surface (PES) derived in part from MP2/6-311+G* calculations. The clusters decompose with exponential probabilities, consistent with RRKM unimolecular rate theory.

Direct dynamics simulation of dissociation of the [CH3--I--OH]- ion-molecule complex.

Direct dynamics simulations were used to study dissociation of the [CH3--I--OH](-) complex ion, which was observed in a previous study of the OH(-) + CH3I gas phase reaction ( J. Phys. Chem.