Orbital-free density functional theory (OFDFT), with its attractive linearly scaling computation cost and low prefactor, is one of the most powerful first principles methods for simulating large systems (~10(4)-10(6) atoms). However, approximating the electron kinetic energy with density functionals limits the accuracy and generality of OFDFT compared to Kohn-Sham density functional theory (KSD...

Aurovertins B and D inhibited the adenosine triphosphatase (ATPase) activity of soluble Escherichia coli coupling factor ATPase (BF1) isolated from wile-type E. coli K-12. Half inhibition was obtained with 2 microns aurovertin B and 0.9 microns aurovertin D. Aurovertins B and D had no inhibitory effect on BF1 isolated from the aurovertin-resistant E. coli mutant MA12. Acetylation or saponificat...

Electron beam welding has shown a remarkable job in the space industry for welding of components. It is performed under a vacuum environment that eliminates foreign matter such as hydrogen, oxygen, and other gases. Joining of similar and dissimilar materials is the main advantage of electron beam welding with high depth to width ratio as well as sharp focus at the point where parts are to be we...

Intracerebroventricular (ICV) injection of streptozotocin (STZ) in rats is followed by long-term and progressive deficits in learning, memory, and cognitive performance which is somewhat similar to sporadic Alzheimer’s disease (SAD). Epidemiological studies suggest that non-steroidal anti-inflammatory drugs (NSAIDs) could delay or slow the clinical expression of SAD. Therefore, the benefi...

To identify volatile constituents in Typhonium giganteum Engl., and clarify their effects on proliferation of breast cancer T47D cell lines. Volatile constituents in Typhonium giganteum Engl. are extracted by steam distillation, and determined by GC-MS. 24, 48 and 72 h after treatment of T47D cells with different concentrations of Typhonium giganteum Engl. volatile (DJL-V) constituents, methyl ...

'ICRF Human Tumour Innunology Group, University College and Middlesex School of Medicine, 91 Riding House Street, London WIP 8BT; 2Department of Oncology and Pathology, University of Copenhagen, Rigshospitalet, 2100 Copenhagen, Denmark; 3Department of Medical Oncology, Western General Infirmary, Edinburgh EH4 2XU; 'Department of Oncology, University College and Middlesex School of Medicine, 91 ...

Pneumococcal diseases, caused by the bacterium Streptococcus pneumoniae, include pneumonia and otitis media, which accounts for some 12 million doctor visits per year in the United States alone. Each year around the world, pneumococcus causes 1.2 million deaths due to pneumonia, 39% of which are in children under the age of five. In a three-year Phase III clinical trial involving 38,000 childre...