Correlation between biological activity and energies of electronic transitions in benzodiazepines. Negative ion mass spectrometry and ultraviolet absorption spectroscopy study of some derivatives

A correlation between the energies of electronic singlet transitions in benzodiazepines and their biological activity, which was revealed earlier by means of negative ion mass spectrometry with resonance electron capture, has been verified with a UV absorption spectroscopy investigation. Also, it has been noted that the energies of electronic singlet transitions in benzodiazepines are close in value to the ionization energies of atoms Cs, Rb, K, Na, Li and Tl, the cations of which are known to play an important role in nerve cell excitation processes. Copyright 1999 John Wiley & Sons, Ltd.     

Cold antihydrogen atoms

Cold antihydrogen atoms have been produced recently by mixing trapped antiprotons with cold positrons. The efficiency is remarkable: more than 10% of the antiprotons form antihydrogen. Future spectroscopy of antihydrogen has the potential to provide new extremely precise tests of the fundamental symmetry between matter and antimatter. In addition, cold antihydrogen atoms might permit the first direct experiments investigating antimatter gravity. A novel method to measure the gravitational acceleration of antimatter using ultra-cold antihydrogen atoms is proposed. PACS 04.80.Cc; 32.80.Pj; 36.10.-k     

Ordering of lipid A-monophosphate clusters in aqueous solutions

In this investigation, a study of the self-assembly of electrostatically stabilized aqueous dispersions of nanometric lipid A-monophosphate clusters from Escherichia coli was carried out in three different volume-fraction regimes. The experimental techniques used in the investigation were osmotic pressure, static and quasielastic light scattering, scanning electron microscopy and transmission electron microscopy, and small-angle x-ray scattering. Experiments were carried out at low ionic strength (I=0.1-5.0 mM NaCl) at 25 degrees C. At volume fractions between 1.5x10(-4)相似文献   

Effect of the deletion of the C region on the structure and hydration of insulin-like growth factor 1: a molecular dynamics investigation

The structure and hydration of insulin-like growth factor 1 and an inactive mutant lacking the C region have been investigated in aqueous solution by molecular dynamics simulation. The overall structures of the two polypeptide resemble those determined by NMR spectroscopy. The deletion of the C region in the wild polypeptide introduces structural stability in the mutant, leading to a better definition of the secondary structure elements. A detailed hydration analysis was performed using the radial distribution functions and energy distributions. The backbone of the mutant is in general more solvent accessible than the wild polypeptide backbone. The structural rearrangements induced in the mutant led to changes in the solvent exposition of Tyr24 and Tyr60, which are residues important for ligand—receptor complex formation. Tyr24 exhibited a similar degree of solvent exposition in both IGF-I and in the mutant; however, its hydroxyl group in the wild polypeptide is better solvated than in the mutant. Tyr60 was found to be solvent exposed in the wild protein, while in the mutant the involvement of its hydroxyl group in intramolecular hydrogen bonds led to it being buried away from the solvent.     

Molecular simulation of LiCl aqueous solutions

Non-primitive LiCl aqueous electrolyte solutions were studied at 1.0, 5.0 and 10.0 M concentrations by molecular dynamics simulations. It was observed that the ion hydration structure is progressively lost with increasing concentration. The ions are aggregated in small clusters at C = 1.0 M. However, at this concentration, two large clusters were detected that are an initial step in an aggregation process. At C = 5.0 M, the highly unstable ion clustering seems to correspond to an intermediary state between low concentration states with poor aggregation and states where the ions are highly aggregated, as observed at C = 10.0 M where almost all the ions are clustered in one cluster. This cluster does not present a crystal-like structure. The high solubility of LiCl in aqueous solutions can consequently be explained as a result of the large radii difference between the anion and the cation that results in the instability of the ionic aggregates, which makes the formation of crystal seeds difficult.     

Confined cubic blue phases under shear

We study the behaviour of confined cubic blue phases under shear flow via lattice Boltzmann simulations. We focus on the two experimentally observed phases, blue phase I and blue phase II. The disclination network of blue phase II continuously breaks and reforms under shear, leading to an oscillatory stress response in time. The oscillations are only regular for very thin samples. For thicker samples, the shear leads to a 'stick-slip' motion of part of the network along the vorticity direction. Blue phase I responds very differently: its defect network undergoes seemingly chaotic rearrangements under shear, irrespective of system size.     

Glottal behavior in the high soprano range and the transition to the whistle register

The high soprano range was investigated by acoustic and electroglottographic measurements of 12 sopranos and high-speed endoscopy of one of these. A single laryngeal transition was observed on glissandi above the primo passaggio. It supports the existence of two distinct laryngeal mechanisms in the high soprano range: M2 and M3, underlying head and whistle registers. The laryngeal transition occurred gradually over several tones within the interval D#5-D6. It occurred over a wider range and was completed at a higher pitch for trained than untrained sopranos. The upper limit of the laryngeal transition during glissandi was accompanied by pitch jumps or instabilities, but, for most singers, it did not coincide with the upper limit of R1:f(0) tuning (i.e., tuning the first resonance to the fundamental frequency). However, pitch jumps could also be associated with changes in resonance tuning. Four singers demonstrated an overlap range over which they could sing with a full head or fluty resonant quality. Glottal behaviors underlying these two qualities were similar to the M2 and M3 mechanisms respectively. Pitch jumps and discontinuous glottal and spectral changes characteristic of a M2-M3 laryngeal transition were observed on decrescendi produced within this overlap range.     

Vocal tract resonances in singing: Strategies used by sopranos, altos, tenors, and baritones

The first two vocal tract resonances (R1 and R2) of 22 classically trained sopranos, altos, tenors, and baritones were measured while they sang four different vowels over their normal pitch range. The resonances of the tract and the harmonics of the voice were measured simultaneously by injecting a broadband acoustic current into the tract at their mouth. Sopranos were found to tune R1 close to the fundamental frequency f(0) (R1:f(0) tuning) over at least part of their upper range for all vowels studied, particularly when f(0) was around or above the value of R1 for speech. Additionally, most sopranos employed R2:2f(0) tuning over some of their range, often simultaneously with R1:f(0) tuning. Altos used R1:f(0) tuning for vowels having lower values of R1 in speech, but can switch to R1:2f(0) tuning in the lower part of their range. Tenors and baritones generally used R1:2f(0) and R1:3f(0) tunings over part of their range and employed a number of different tunings to higher harmonics at lower pitch. These results indicate that singers can repeatedly tune their resonances with precision, and that there can be considerable differences in the resonance strategies used by individual singers, particularly for voices in the lower ranges.     

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