In this research at the first Metoprolol drug and its fullerene derivative were optimized. Natural bond orbital (NBO), nuclear Indepndent chemical shift (NICS) and finally IR calculations, for these compounds were carried out at the B3LYP/6-31G* quantum chemistry level. Different parameters such as energy levels, the amount of chemical shift in different atoms, the amount of HOMO/LUMO, chemical...

The AIM parameters at the ring critical point (the electron density and its Laplacian, the total electron energy density and both its components, potential and kinetic electron energy densities), have been intercorrelated with aromaticity indices: the geometry-based HOMA and the magnetism-based NICS, NICS(1), and NICS(1)(zz). A set of 33 phenylic rings having possibly a diversified aromatic cha...

Software/open routers, PCs (personal computers) running open-source OSs (operating systems) and equipped with Ethernet network interface cards (NICs), are receiving increasing attention in the research community, because they can offer multi-gigabit-per-second packet forwarding speed, performance comparable to those of low-to-medium end commercial routers. However, commercially available NICs l...

Twenty-eight antibiotics were tested with the Limulus amoebocyte lysate assay to determine their non-inhibitory concentrations (NICs). The Limulus amoebocyte lysate assay was found to be a valid test for most of the antibiotics tested; the NICs were found to be greater than the minimum valid test concentrations. Borderline results were obtained with cefamandole nafate and neomycin sulfate. Poly...

The conformations of eight neo-confused porphyrin (neo-CP) structures and seven related benzo-neo-confused porphyrins (B-neo-CPs) were minimized using DFT-B3LYP/6-311++G(d,p). In addition, in order to provide contrasts to the B-neo-CP tautomers, a series of twelve benzoporphyrin (BP) tautomers and twelve benzocarbaporphyrins (BCPs) were also analyzed, and two N-confused porphyrin (NCP) tautomer...

The fact that modern Networked Industrial Control Systems (NICS) depend on Information and Communication Technologies (ICT), is well known. Although many studies have focused on the security of these systems, today we still lack the proper understanding of the effects that cyber attacks have on NICS. In this paper we use our previously developed framework to study the effects of network paramet...

Quercetin (QRC), a flavonoid found in foods and plants such as red wine, onions, green tea, apples, berries, possesses remarkable anti-inflammatory antioxidant properties. These properties make it effective combating cancer cells, reducing inflammation, protecting against heart disease, regulating blood sugar levels. To enhance the potential of inclusion complexes (ICs) containing β-cyclodextri...

background: mediodorsal (md) thalamic nucleus, which is considered to take place between extra pyramidal and limbic feedback circuit, receives projective fibers from ventrolateral neurons of reticular part of substantia nigra (snr). in order to better understand the influence and chemical reaction of these fibers upon md nucleus, the morphology and synaptology of them were examined in the prese...

Software/open routers, PCs (Personal Computers) running open source OSs (Operating Systems) and equipped with Ethernet Network Interface Cards (NICs), are receiving increasing attention in the research community, because they can offer multi-gigabit-persecond packet forwarding speed, performance comparable to those of low-medium end commercial routers. However, commercially available NICs lack ...