Search results for "localize"
showing 10 items of 300 documents
A hyaluronic acid/cyclodextrin based injectable hydrogel for local doxorubicin delivery to solid tumors
2020
Localized delivery of anticancer drugs is often the most useful therapeutic approach for the treatment of solid tumors. The use of injectable polymeric systems that maximize drug concentration in the proximal area of the tumor represents an extremely advantageous therapeutic strategy. Here, the development of an injectable in situ forming hydrogel was accomplished by exploiting the azo-type Michael reaction between an amine derivative of hyaluronic and vinylsulfone functionalized -cyclodextrins complexing doxorubicin. This injectable system can be easily prepared and administered with timelines compatible with normal operating room procedures, as demonstrated by rheological tests. In vitro…
Functional Extrapolations to Tame Unbound Anions in Density-Functional Theory Calculations
2019
Standard flavors of density-functional theory (DFT) calculations are known to fail in describing anions, due to large self-interaction errors. The problem may be circumvented using localized basis sets of reduced size, leaving no variational flexibility for the extra electron to delocalize. Alternatively, a recent approach exploiting DFT evaluations of total energies on electronic densities optimized at the Hartree-Fock (HF) level has been reported, showing that the self-interaction-free HF densities are able to lead to an improved description of the additional electron, returning affinities in close agreement with the experiments. Nonetheless, such an approach can fail when the HF densitie…
Manometric assessment of oesophageal involvement in progressive systemic sclerosis, morphoea and Raynaud's disease.
1982
SUMMARY Oesophageal function was studied by radiography and manometry in fifty-one patients with progressive systemic sclerosis (PSS), fourteen patients with morphoea, twelve patients with Raynaud's disease and twenty-one normal subjects. Upper oesophageal sphincter pressure was not affected. Peristaltic contractions of the upper third of the oesophagus were significantly decreased in PSS and morphoea, but the lower two-thirds were affected only in PSS. Lower oesophageal sphincter pressure was significantly decreased in PSS but was normal in morphoea and Raynaud's disease. There was a significant correlation between oesophageal dysfunction and the duration of PSS. Manometry was better than …
Quantum Motion of Chemisorbed Hydrogen on Ni Surfaces
1983
Quantum mechanical energy levels and wave functions have been calculated for the motion of chemisorbed hydrogen atoms on Ni surfaces. The results show considerable quantum effects for the adatom in both the ground and the excited states. The description of the adparticles as being delocalized along the surface offers a novel interpretation of several phenomena, in particular the vibrational excitations. Peer reviewed
4-Fluoro-N-methyl-N-nitroaniline
2016
Molecules of the title compound, C7H7FN2O2, are composed of a nitramine group which is twisted with the respect to the aromatic ring, with an N—N—C—C torsion angle of −117.38 (12)°. In the molecule, the N—N bond length [1.3510 (15) Å] indicates some double-bond character, while the angle between the aromatic ring and the nitramine group rules out further delocalization in the molecule. In the crystal, C—H...F hydrogen bonds connect the molecules intoC11(6) chains along theaaxis. C—H...O hydrogen bonds form, which featureR22(12) loops and further connect these chains.
A Roles-Based Approach to Variable-Oriented Programming
2008
Delocalized variable plans pose problems for novice programmers trying to read and write programs. Variable-oriented programming is a programming paradigm that emphasizes the importance of variable-related plans, and localizes actions pertaining to each variable together in one place in the program code. This paper revisits the idea of variable-oriented programming and shows how it can be founded on roles of variables: stereotypes of variable use suitable for teaching to novices. The paper sketches out how variable-oriented, roles-based programming could be implemented using either a new programming language or a framework built on an existing language. The possible applications, merits, an…
Localized surface plasmon resonance in silver nanoparticles: Atomistic first-principles time-dependent density-functional theory calculations
2015
We observe using ab initio methods that localized surface plasmon resonances in icosahedral silver nanoparticles enter the asymptotic region already between diameters of 1 and 2 nm, converging close to the classical quasistatic limit around 3.4 eV. We base the observation on time-dependent density-functional theory simulations of the icosahedral silver clusters Ag$_{55}$ (1.06 nm), Ag$_{147}$ (1.60 nm), Ag$_{309}$ (2.14 nm), and Ag$_{561}$ (2.68 nm). The simulation method combines the adiabatic GLLB-SC exchange-correlation functional with real time propagation in an atomic orbital basis set using the projector-augmented wave method. The method has been implemented for the electron structure…
Enhancing silicon solar cell efficiency with metal nanoparticles
2009
Synthesis of new hybrid 1,4-thiazinyl-1,2,3-dithiazolyl radicals via Smiles rearrangement
2017
The condensation reaction of 2-aminobenzenethiols and 3-aminopyrazinethiols with 2-amino-6-fluoro-N-methylpyridinium triflate afforded thioether derivatives that were found to undergo Smiles rearrangement and cyclocondensation with sulphur monochloride to yield new hybrid 1,4-thiazine-1,2,3-dithiazolylium cations. The synthesized cations were readily reduced to the corresponding stable neutral radicals with spin densities delocalized over both 1,4-thiazinyl and 1,2,3-dithiazolyl moieties. peerReviewed