Theoretical studies and experimental results are presented for the rotational motion of molecule's in crystalline solids. The group theory is solved for molecules of any symmetry matrix isolated at a site in a crystal field of any symmetry. As the potential terrier to rotation of the molecule relative to the...
The satellite structure ("shake-up") present in the X-ray
photoelectron spectra of several planar molecules containing
double bonds has been investigated in the gas phase.
This set consists of three five-membered heterocyclic
molecules, ethylene and two of its fluorinated analogs, and
benzene with three of its fluorinated analogs. In addition,
core...
Rifamycin B, a product of Amycolatopsis mediterranei S699, is the precursor of clinically used antibiotics that are effective against tuberculosis, leprosy and AIDS related mycobacterial infections. However, prolonged usage of these antibiotics has resulted in the emergence of rifamycin resistant strains of Mycobacterium tuberculosis. As part of our effort to...
Molecular dynamics (MD) simulations are used to study, in detail, the transfer of thermal (vibrational) energy between objects with discrete vibrational spectra to those with a semi-continuum of spectra. The transfer of energy is stochastic and strongly dependent on the instantaneous separation between the bodies. The insight from the MD...
Paclitaxel is a very important anticancer drug commonly called Taxol®.
We know from previous work (Hoffman, et al., 1998) that Taxol exists in filbert, Corylus avellana L. material. Quantification of Taxol in filbert plant material is painstaking and hitherto was accomplished by rapidly processing single batches in a complicated procedure...
Aqueous film-forming foams (AFFFs) are significant sources of per- and polyfluoroalkyl substances (PFAS) in the environment. Current analytical methods that provide quantitative measures of individual PFAS in AFFFs, such as liquid chromatography – tandem mass spectrometry (LC-MS/MS), are often complicated, time-consuming, and expensive. Methods for total fluorine analysis, though quantitative,...
Mutation of repetitive DNA by repeat-induced point mutation (RIP) is a process that occurs in many filamentous fungi of the Ascomycota during the sexual cycle. Concurrently, direct DNA repeats are often deleted by homologous recombination at high frequency during the sexual cycle. Thus, the processes of RIP and deletion compete...