150 research outputs found
Application of time-dependent density functional theory to optical activity
As part of a general study of the time-dependent local density approximation
(TDLDA), we here report calculations of optical activity of chiral molecules.
The theory automatically satisfies sum rules and the Kramers-Kronig relation
between circular dichroism and optical rotatory power. We find that the theory
describes the measured circular dichroism of the lowest states in methyloxirane
with an accuracy of about a factor of two. In the chiral fullerene C_76 the
TDLDA provides a consistent description of the optical absorption spectrum, the
circular dichroism spectrum, and the optical rotatory power, except for an
overall shift of the theoretical spectrum.Comment: 17 pages and 13 PostScript figure
Nuclear Clusters as a Probe for Expansion Flow in Heavy Ion Reactions at 10-15AGeV
A phase space coalescence description based on the Wigner-function method for
cluster formation in relativistic nucleus-nucleus collisions is presented. The
momentum distributions of nuclear clusters d,t and He are predicted for central
Au(11.6AGeV)Au and Si(14.6AGeV)Si reactions in the framework of the RQMD
transport approach. Transverse expansion leads to a strong shoulder-arm shape
and different inverse slope parameters in the transverse spectra of nuclear
clusters deviating markedly from thermal distributions. A clear ``bounce-off''
event shape is seen: the averaged transverse flow velocities in the reaction
plane are for clusters larger than for protons. The cluster yields
--particularly at low at midrapidities-- and the in-plane (anti)flow of
clusters and pions change if suitably strong baryon potential interactions are
included. This allows to study the transient pressure at high density via the
event shape analysis of nucleons, nucleon clusters and other hadrons.Comment: 38 pages, 9 figures, LaTeX type, eps used, subm. to Phys. Rev.
The influence of blood on the efficacy of intraperitoneally applied phospholipids for prevention of adhesions
<p>Abstract</p> <p>Background</p> <p>The formation of adhesions following abdominal surgery is a well known problem. In previous studies we demonstrated the efficacy and safety of intraperitoneally applied phospholipids in order to prevent adhesion formation. This study evaluates the influence of blood on the efficacy of intraperitoneally applied phospholipids for prevention of adhesions.</p> <p>Methods</p> <p>In 40 Chinchilla rabbits adhesions were induced by median laparotomy, standardized abrasion of the visceral and parietal peritoneum in defined areas of the ventral abdominal wall and the caecum. The animals were randomly divided into four groups. They received either phospholipids 3.0% or normal saline (NaCl 0,9%) (5 ml/kg body weight). In 50% of the rabbits we simulated intraperitoneal bleeding by administration of blood (1,5 ml/kg body weight). The other half served as control group. Ten days following the operation the animals were sacrificed and adhesion formation was assessed by computer aided planimetry and histopathologic examination.</p> <p>Results</p> <p>The median adhesion surface area in the NaCl-group (n = 9) amounted to 68,72 mm<sup>2</sup>, in the NaCl+Blood-group (n = 10) 147,68 mm<sup>2</sup>. In the Phospholipid (PhL)-group (n = 9) the median adhesion surface area measured 9,35 mm<sup>2</sup>, in the PhL+Blood-group (n = 9) 11,95 mm<sup>2</sup>. The phospholipid groups had a significantly smaller adhesion surface area (p < 0.05).</p> <p>Conclusion</p> <p>Again these results confirm the efficacy of phospholipids in the prevention of adhesions in comparison to NaCl (p = 0,04). We also demonstrated the adhesion preventing effect of phospholipids in the presence of intraperitoneal blood.</p
The Awkward Class: Political Sociology of Peasantry in a Developing Society: Russia, 1910-1925. By Teodor Shanin. Oxford: Clarendon Press, 1972. xvii, 253 pp. $15.25
The use of cross-correlation functions in the analysis of circular dichroism spectra
Following Gordon, we show that the circular dichroism (CD) spectrum is proportional to the
imaginary part of the Fourier transform of the cross-correlation function of the electric dipole
moment and of the magnetic dipole moment. Such a result is useful in the study of CD band shapes,
and also in obtaining a spectrum from a classical trajectory calculation, as was done for absorption
by Noid, Koszykowski, and Marcus. For ergodic and multiperiodic regimes, the formula reduces to
the Fourier cross spectrum of the two moment functions. As an application, we have run classical
trajectories calculations for two coupled CH stretchings belonging to a chiral HCCH fragment, in
the fixed partial charge approximation. Two sets of results are presented, relative to low and high
total energy: Comments are made about the spectroscopic manifestation of normal, local, and
chaotic modes
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