Search results for "PORP"
showing 10 items of 567 documents
Mimicking shear zones: An example from Wadi Filk, Jordan
2017
Abstract Ductile shear zones can develop in at least two ways: (1) a nucleus can grow laterally by free propagation into undeformed host rock, like most faults or joints; (2) the zone may nucleate and grow on or in a planar discontinuity and mimick its orientation. Most small-scale ductile shear zones are mimicking zones, but large-scale ductile shear zones could be free-propagating. The Wadi Filk mylonite zone in Jordan is a two km long, ten meter wide mylonite zone flanked by ultramylonite zones, developed in undeformed Neoproterozoic porphyritic monzogranite. Since mineral and major element composition of mylonite and monzogranite are identical, the structure seems to have formed by free…
Coordination self-assembly through weak interactions in meso-dialkoxyphosphoryl-substituted zinc porphyrinates.
2019
International audience; The self-assembly of seven zinc 10-(dialkoxyphosphoryl)-5,15-diarylporphyrinates Zn5-Zn11 containing different substituents at the phosphonate and aryl groups was investigated. Single crystals of Zn5-Zn9 complexes were grown under the same conditions and analyzed by X-ray structural analysis. A supramolecular self-assembly is observed in all crystals through weak coordinative bonding of the phosphoryl group of one porphyrin molecule to the zinc(II) ion of a second porphyrin molecule. The geometry of the porphyrin macrocycle is similar in all of the studied crystals and the central zinc atom in each case adopts a distorted tetragonal pyramidal environment. However, th…
Optically Detected Magnetic Resonance of Chlorophyll Triplet States in Water-Soluble Chlorophyll Proteins from Lepidium virginicum: Evidence for Exci…
2018
Optically detected magnetic resonance of triplet states populated by photoexcitation in water-soluble chlorophyll proteins (WSCPs) from Lepidium virginicum has been performed using both absorption and fluorescence detection. Well resolved triplet-singlet (T-S) spectra have been obtained and interpreted in terms of electronic interactions among the four chlorophylls (Chls), forming two dimers in the WSCP tetramer. Localization of the triplet state on a single Chl leads to a redistribution of the oscillator strength in the remaining three Chls of the complex. By comparing the spectra with those obtained on a substoichiometric WSCP complex containing only 2 Chls per protein tetramer, we proved…
Semiempirical PM5 molecular orbital study on chlorophylls and bacteriochlorophylls: Comparison of semiempirical,ab initio, and density functional res…
2003
The semiempirical PM5 method has been used to calculate fully optimized structures of magnesium-bacteriochlorin, magnesium-chlorin, magnesium-porphin, mesochlorophyll a, chlorophylls a, b, c(1), c(2), c(3), and d, and bacteriochlorophylls a, b, c, d, e, f, g, and h with all homologous structures. Hartree-Fock/6-31G* ab initio and density functional B3LYP/6-31G* methods were used to optimize structures of methyl chlorophyllide a, chlorophyll c(1), and methyl bacteriochlorophyllides a and c for comparison. Spectroscopic transition energies of the chromophores and their 1:1 or 1:2 solvent complexes were calculated with the Zindo/S CIS method. The self-consistent reaction field model was used t…
The solubilization site of 5,10,15,20-tetrakis-(2,6-dichlorophenyl)-porphyrin-Mn(III) in DPPC vesicles: A spectrophotometric and tensiometric study
2006
Abstract The solubilization site of 5,10,15,20-tetrakis-(2,6-dichlorophenyl)-porphyrin-Mn(III) (MnTDPPC) in l -α-dipalmitoylphosphatidyl choline (DPPC) vesicles was determined in a systematic UV–vis spectrophotometric study. Measurements of the MnTDPPC absorbance have been conducted at constant temperatures (in the interval 30 °C ≤ T ≤ 48 °C) and varying concentrations of phospholipid. In the entire temperature range, the absorption due to MnTDCCP was found to increase with increasing DPPC concentration, until it reaches a plateau value. The data have been analyzed using a pseudo-phase model yielding the binding constant of MnTDCPP to vesicular aggregates. No significant temperature depende…
Extraktionschromatographische trennung der freien uroporphyrinisomere i und iii und deren simultane quantitative bestimmung
1968
Abstract Separation and simultaneous quantitative determination of the free uroporphyrin isomers I and III by means of extraction chromatography Separation and quantitative determination of the uroporphyrin isomers I and III in the acid from can be performed simultaneously in the partition system tri-n-butylphosphate/I N hydrochloric acid using columns with a large number of theoretical plates (N) = 300-450). The eluent is passed through a flow cuvette and the transmission is recorded continuously. The transmission peaks of the isomers are digitized and transformed into extinction values. By integrating the extinction peaks, the amount of the uroporphyrins can be evaluated from the correspo…
Extraktionschromatographische trennung der freien porphyrine auf tri-n-butylphosphat-s?ulen im pH-gradienten
1969
Abstract The method described allows the separation of the free porphyrins on a tri-n-butyl phosphate (TBP) column by elution with a pH gradient. The prophyrins are eluted from the column at discrete pH values (xD) according to the number of carboxyl groups in the side chains. Separation of isomers could not be observed under the conditions used. The xD values indicate the centre of the pH-interval, in which the dissociation of the carboxyl groups occurs. This finding could be confirmed by spectro-photometric measurements. By combining the method proposed with the method of separation by extraction chromatography in the TBP/IN HCl partition system and the thin-layer technique in the 2,6-lut…
Universal model for the calculation of all organic solvent–water partition coefficients
1998
Abstract We present the basis for building a universal organic solvation model to calculate solubility in any organic solvent and in water, as well as the organic solvent–water partition coefficient ( P ). Log P values are of the same order of magnitude as reference calculations but for a few cases which are discussed. Normalized log P contributions are sensitive to the rest of the atoms. When comparing porphin with phthalocyanine, the latter results in an amphipathic molecule. For C 70 , the contribution of a–e carbons to log P correlates with the distances from the nearest pentagon. The method has been also applied to benzobisthiazole oligomers and phenyl alcohols.
Supramolecular Chirogenesis in Bis-Porphyrin: Crystallographic Structure and CD Spectra for a Complex with a Chiral Guanidine Derivative
2021
The complexation of (3aR,7aR)-N-(3,5-bis(trifluoromethyl)phenyl)octahydro-2H-benzo[d]imidazol-2-imine (BTI), as a guest, to ethane-bridged bis(zinc octaethylporphyrin), bis(ZnOEP), as a host, has been studied by means of ultraviolet-visible (UV-Vis) and circular dichroism (CD) absorption spectroscopies, single crystal X-ray diffraction, and computational simulation. The formation of 1:2 host-guest complex was established by X-ray diffraction and UV-Vis titration studies. Two guest BTI molecules are located at the opposite sides of two porphyrin subunits of bis(ZnOEP) host, which is resting in the anti-conformation. The complexation of BTI molecules proceed via coordination of the imine nitr…
Thiourea Organocatalysts as Emerging Chiral Pollutants: En Route to Porphyrin-Based (Chir)Optical Sensing
2021
Environmental pollution with chiral organic compounds is an emerging problem requiring innovative sensing methods. Amino-functionalized thioureas, such as 2-(dimethylamino)cyclohexyl-(3,5-bis(trifluoromethyl)phenyl)thiourea (Takemoto’s catalyst), are widely used organocatalysts with virtually unknown environmental safety data. Ecotoxicity studies based on the Vibrio fischeri luminescence inhibition test reveal significant toxicity of Takemoto’s catalyst (EC50 = 7.9 mg/L) and its NH2-substituted analog (EC50 = 7.2–7.4 mg/L). The observed toxic effect was pronounced by the influence of the trifluoromethyl moiety. En route to the porphyrin-based chemosensing of Takemoto-type thioureas, their s…