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We have calculated optimal frequency scaling factors for the B3LYP/ 6-311+G(d,p) method for fundamental vibrational frequencies on the basis of a set of 125 molecules. Using the new scaling factor, the vibrational frequencies calculated with the triple-zeta basis set 6-311+G(d,p) give significantly better accuracy than those calculated with the double-zeta 6-31G(d) basis set. Scale factors were al

We have examined the ability of KW-6002, an adenosine A2a antagonist, to modulate the dyskinetic effects of l-DOPA in 6-hydroxydopamine-lesioned rats. In animals rendered dyskinetic by a previous course of l-DOPA treatment, KW-6002 did not elicit any abnormal involuntary movements on its own, but failed to reduce the severity of dyskinesia when coadministered with l-DOPA. A second experiment was u

The aim of this study was to determine the influence of daily oral administration of alpha-ketoglutarate (AKG) on bone mineral density of the femur and concentration of 17-beta-oestradiol in blood plasma during 70 d of postnatal life in piglets. All the animals were kept under standard rearing conditions. AKG was administered orally from the 1(st) d of life, while the control piglets were treated

Much of earlier work on predictive models for accidents has been focused on rural traffic or urban intersections. This work has aimed at identifying and investigating possible improvements to predictive models for accidents on urban links. A special focus has been on the accidents of vulnerable road users. The possible improvements investigated have been: a) the use of exposure data for vulnerabl

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In an attempt to gain information about the identity of the Golgi apparatus casein kinase(s) (G-CK), responsible for the phosphorylation of caseins in lactating mammary gland, the proteins present in fractions enriched in G-CK activity eluted from DEAE-Sepharose and heparin-Sepharose columns were resolved by two-dimensional electrophoresis and analyzed by mass spectrometry. This led to the identif

The GAD65 epitope immunoglobulin binding pattern in cord blood of children (n=37), who later developed type 1 diabetes at 3.2-14.9 years of age, was analyzed. First, the binding at diagnosis was compared with that in the cord blood serum. The next comparison was between the cord blood serum and the mothers' serum taken at delivery. Basal GAD65 binding levels were determined in Protein A Sepharose-

Temperature and air speed values normally characteristic of a heated and ventilated room are compared with values for a fire in the room so that a first approximation can be calculated for size of fire overcoming the effects of the initial conditions.

There are many ways to define the distance between two protein structures, thus assessing their similarity. Here, we investigate and compare the properties of five different distance measures, including the standard root-mean-square deviation (cRMSD). The performance of these measures is studied from different perspectives with two different protein models, one continuous and the other discrete. U

The Harvard Computer Fire Code Mark V has been used to simulate full-scale Furniture fires. Simulations were run with one sofa burning in the open and another burning in a small room. To obtain better agreement between experiment and simulation, changes were made in the code to include heating of the lower surfaces in the room. A simulation of a mattress test, conducted at NBS, is included. Compar

This thesis consists of five papers on different aspects of parametervariation in some common exchange rate models.The first paper investigates the stability in the real exchange rate, witch is equivalent to purchasing power parity (PPP). In recent empirical literature on purchasing power parity, the focus has been on the stationarity of real exchange rates, instead of strict constancy. Earlier st

GLP-1 stimulates insulin secretion, suppresses glucagon secretion, delays gastric emptying, and inhibits small bowel motility, all actions contributing to the anti-diabetogenic peptide effect. Endothelial dysfunction is strongly associated with insulin resistance and type 2 diabetes mellitus and may cause the angiopathy typifying this debilitating disease. Therefore, interventions affecting both e

The photophysical properties of the novel perylene imide (Pi) and oligo-pentaphenyl bisfluorene (pPh) containing molecule have been investigated by quantum chemical methods. It is concluded that the first excited singlet state in the gas is the locally excited state; while the lowest excited state in polar solvents is the intramolecular charge transfer (ICT) state, which corresponds to the ICT fro

The report gives a state-of-the-art survey of the field of integrated control and scheduling. Subtopics discussed are implementation and scheduling of periodic control loops, scheduling under overload, control and scheduling co-design, dynamic task adaptation, feedback scheduling, and scheduling of imprecise calculations. The report also presents the background, motivation, and research topics in

During a 13 year period, 286 patients with cervical disc herniation and/or spondylotic spurs, were subjected to anterior decompression and vertebral interbody fusion with autologous bone. Twenty patients were re-admitted in the late postoperative period due to recurrent radicular symptoms and/or signs of myelopathy. In these patients myelography was performed again. In 14 patients spinal cord comp

Scolecodonts, polychaete jaws, generally occur abundantly in Silurian shallow marine successions and are known from all continents except Antarctica. The assemblages are typically characterized by taxa with labidognath, placognath and prionognath type jaw apparatuses. They commonly include species of Kettnerites Zebera, 1935, Oenonites Hinde, 1879, Mochtyella Kielan-Jaworowska, 1961, Protarabellit

Background: ABO genotyping is complicated by the remarkable diversity at the ABO locus. Recombination or gene conversion between common alleles may lead to hybrids resulting in unexpected ABO phenotypes. Furthermore, numerous mutations associated with weak subgroups and nondeletional null alleles should be considered. All known ABO genotyping methods, however, risk incorrect phenotype predictions

The possibility of predicting the shelf-life of pasteurized carrot juice by isothermal microcalorimetry or change in pH was investigated and compared with traditional plate count results. A small increase in thermal power (2 muW), maximal increase of and acceleration of thermal power all gave rapid, well-correlated results for the shelf-life, as did pH, during accelerated storage. The effect of ac