Search results for "OMOP"
showing 10 items of 624 documents
Contribution to the adsorption voltammetric determination of manganese
1994
The adsorption voltammetric determination of Mn(II) with Bromopyrogallol Red (BPR) and Mordant Red 19 (MDR) has been investigated using a hanging drop mercury electrode. In NH3/NH4Cl solution, ligands and Mn(II) complexes give well separated voltammetric peaks after enrichment onto the electrode. The conditions for determining manganese by adsorption voltammetry with these reagents have been investigated in detail, as has the influence of foreign ions on the determination. The detection limits are 4·10−10 mol/L Mn for BPR and 8·10−10 mol/L Mn for MDR, respectively.
Resolution of overlapped non-absorbing and absorbing solutes using either an absorption null-balance detection window or multivariate deconvolution a…
2004
Abstract Non-absorbing alkyl ether sulfates (AES) can be separated using anthraquinone-2-carboxylic acid (AQCA) as a probe; however, absorbing alkyl benzene sulfonates (ABS), if present, interfere indirect detection of most AES oligomers. Overcoming of this interference, as well as the simultaneous characterisation and evaluation of AES, fatty acids and ABS, was accomplished by using a diode-array detector and the procedures here discussed. First, it was shown that ABS can be made undetectable by using a 9 nm wide and 227 nm centred charge-absorptivity null-balance detection window (NBDW), where its contribution to the absorbance cancels the dilution effects that its presence induces on the…
Rational synthetic design of well-defined Pt(bisethynyl)/Zn(porphyrin) oligomers for potential applications in photonics
2011
Well-defined oligomers of 1, 2, 3 and 4 units built upon the very soluble bis-1,15-(1,4-ethynylbenzene)-3,7,13,17-tetramethyl-2,8,12,18-tetrakis(n-hexyl) zinc(II) porphyrin ligand and the trans-bis(tri-n-butylphosphine)platinum(II) linker, with acetylene or trimethylsilane as end groups, has been prepared in the presence of a dichloromethane/diethylamine mixture (1 : 1 v/v) and CuX (X = Cl, I) at room temperature, analogue to a Sonogashira coupling. The new monodisperse organometallic oligomers were characterized by 1H, 31P NMR, UV-visible spectroscopies and MALDI-TOF mass spectrometry. The methyl groups placed at the 3,7,13,17-positions induces the locking of the C6H4 fragment in a perpend…
First principles simulation of amorphous InSb
2013
Ab initio molecular dynamics simulations based on density functional theory have been performed to generate a model of amorphous InSb by quenching from the melt. The resulting network is mostly tetrahedral with a minor fraction ($10%$) of atoms in a fivefold coordination. The structural properties are in good agreement with available x-ray diffraction and extended x-ray-absorption fine structure data and confirm the proposed presence of a sizable fraction of homopolar In-In and Sb-Sb bonds whose concentration in our model amounts to about $20%$ of the total number of bonds.
Hologram development by diffusion in a polymer glass
2003
Thick rigid polymer media with diffusive development of gratings are suitable for archive information storage, and especially for 3D holographic optical elements. Diffusion of unreacted molecules of photosensitive dye ensures postexposure growth of diffracted light, which can be followed either by secondary growth, or by some decay caused by displacement of chromophore groups photochemically attached to polymer chains (photoproduct). In a long run, extremely slow, though still finite, diffusion of macromolecules leads to destruction of a holographic grating. Not only the rate, but also the shape of postexposure kinetics noticeably depends on the choice of particular polymer, its degree of p…
Room temperature crystal structure of the fast switching M159T mutant of the fluorescent protein dronpa
2015
The fluorescent protein Dronpa undergoes reversible photoswitching reactions between the bright ‘on’ and dark ‘off’ states via photoisomerisation and proton transfer reactions. We report the room temperature crystal structure of the fast switching Met159Thr mutant of Dronpa at 2.0 A resolution in the bright on state. Structural differences with the wild type include shifted backbone positions of strand β8 containing Thr159 as well as an altered A-C dimer interface involving strands β7, β8, β10, and β11. The Met159Thr mutation increases the cavity volume for the p-hydroxybenzylidene-imidazolinone chromophore as a result of both the side chain difference and the backbone positional difference…
Inspirations for EO polymer design gained from modeling of chromophore poling by Langevin dynamics
2013
One of the possibilities to create organic molecular material for NLO applications are polymers with dispersed NLO active chromophores. These molecules must be acentrically ordered by applying an external electric poling field. The NLO efficiency depends on dipole moment, molecular hyperpolarizabilities, concentration of the chromophores and external poling field strength. Calculating, from first principles, the extent of the alignment and via this NLO efficiency has proven to be challenging. One approach to solve this problem is pure analytic statistical mechanics treatment, what could be enhanced by Monte Carlo ( MC ) statistical mechanical modelling. The chromophore molecules usually hav…
Triphenylmethyl and triphenylsilyl based molecular glasses for photonic applications
2015
Triphenylmethyl and triphenylsilyl structural fragments can be used to obtain glass forming, solution processable materials from polar chromophore molecules. Large number of compounds has been synthesized taking advantage of this approach, making it possible to identify some structure-property relations. Regarding the non-linear optical (NLO) properties of the given materials it is evident that triphenylmethyl groups help shielding unwanted NLO efficiency limiting dipolar interactions between polar chromophores in solid films. Chromophore stacking is still observed for compounds with large dipole momentum values. The glass transition temperatures of the compounds increase with the molecular…
Development of an ion-pair to improve the colon permeability of a low permeability drug: Atenolol.
2016
Abstract To ensure the optimal performance of oral controlled release formulations, drug colon permeability is one of the critical parameters. Consequently developing this kind of formulations for low permeability molecules requires strategies to increase their ability to cross the colonic membrane. The objective of this work is to show if an ion-pair formation can improve the colon permeability of atenolol as a low permeability drug model. Two counter ions have been tested: brilliant blue and bromophenol blue. The Distribution coefficients at pH 7.00 (DpH7) of atenolol, atenolol + brilliant blue and atenolol + bromophenol blue were experimentally determined in n-octanol. Moreover, the colo…
A theoretical analysis of the intrinsic light-harvesting properties of xanthopterin
2014
Belonging to the family of pterins, which are common chromophores in several bio-organisms, xanthopterin has been shown experimentally (Plotkin et al., 2010) to have the ability of acting as a light-harvesting molecule. In the present study, multiconfigurational second-order perturbation theory is used to determine the stability of distinct amino/imino and lactam/lactim tautomers and the absorption and emission spectroscopic characteristics, electron donor and acceptor properties and the electron and charge transfer efficiencies via π-stacking. The lactam–lactam form 3H5H (and in a lesser extent 1H5H) is predicted to have the most appropriate intrinsic characteristics for the light-harvesti…