The double bond photoisomerization of fulvene has been studied with quantum dynamics calculations using the multi-configuration time-dependent Hartree method. Fulvene is a test case to develop optical control strategies based on the knowledge of the excited state decay mechanism. The decay takes place on a time scale of several hundred femtoseconds, and the potential energy surface is centered ...

Recently it has been suggested that the C≡N stretching vibration of a tryptophan analog, 5-cyanotryptophan, could be used as an infrared probe of the local environment, especially the hydration status, of tryptophan residues in proteins. However, the factors that influence the frequency of this vibrational mode are not understood. To determine these factors, herein we carried out linear and non...

A MODEL OF THE LINEAR HYDROGEN BOND HAS BEEN DEVISED WHICH IS CHARACTERIZED BY THREE PHYSICAL PARAMETERS OF THE ISOLATED ELECTRON DONOR AND PROTON DONOR MOLECULES: mu(A-H), the bond dipole moment; DeltaI, the difference in ionization potential between that of the electron donor and the corresponding noble gas atom; and l, the length of the electron donor lone-pair of electrons. The model is abl...

Stretching is often included as part of a warm-up procedure for basketball activity. However, the efficacy of stretching with respect to sport performance has come into question. We determined the effects of 4 different warm-up protocols followed by 20 minutes of basketball activity on flexibility and vertical jump height. Subjects participated in 6 weeks (2 times per week) of warm-up and baske...

Stretching before performance is a common practice among athletes in hopes of increasing performance and reducing the risk of injury. However, cumulative results indicate a negative impact of static stretching and proprioceptive neuromuscular facilitation (PNF) on performance; thus, there is a need for evaluating other stretching strategies for effective warm-up. The purpose of this study was t...

A picosecond time-resolved IR-UV pump-probe spectroscopic study has been carried out for investigating the intracluster vibrational energy redistribution (IVR) and subsequent dissociation of hydrogen-bonded clusters of phenol (C6H5OH) and partially deuterated phenol (C6D5OH, phenol-d5) with various solvent molecules. The H-bonded OH stretching vibration was pumped by a picosecond IR pulse, and ...

Several studies utilizing adult subjects have indicated that static stretching may reduce subsequent strength and power production, possibly for as long as an hour following the stretch. This observation has not been evaluated in children, nor in athletes accustomed to performing static stretches during strength/ power type training sessions. The purpose of this investigation was to determine i...

We compare results from single crystal X-ray diffraction and FTIR spectroscopy to elucidate the nature of hydrogen bonding in β-9-anthracene carboxylic acid (β-9AC, C(15)H(10)O(2)). The crystallographic studies indicate a disorder for the protons in the cyclic hydrogen bond. This disorder allows the determination of the energy difference between two proton sites along the hydrogen bond. The tem...