“…CO 2 sensors which use an inner filter quenching effect were also described. One such system consisted of a phosphorescent platinum octaetylporphyrin and a pH-sensitive dye in poly(vinylidene chloride-co-vinyl chloride-ethyl cellulose) thin films or microparticles with low permeability to oxygen [8]. A portable instrument to measure CO 2 in the gas phase [9] based on a solid-state sensor film, where the platinum octaethylporphyrin complex is quenched by the deprotonated form of naphtholphthalein [10] was also reported.…”
Abstract:The present report deals with the tailoring, preparation and characterization of novel nanomaterials sensitive to CO2 for use in detection of this gas during space habitation missions. A new nanostructured material based on mixed substituted asymmetrical A3B porphyrin: 5-(4-pyridyl)-10,15,20-tris(3,4-dimethoxyphenyl)-porphyrin (PyTDMeOPP) was synthesized and characterized by 1 H-NMR, FT-IR, UV-vis, fluorescence, MS, HPLC and AFM. Introducing one pyridyl substituent in the 5-meso-position of porphyrin macrocycle confers some degree of hydrophilicity, which may cause self-assembly properties and a better response to increased acidity. The influence of pH and nature of the
OPEN ACCESSMolecules 2014, 19 21240 solvent upon H and J aggregates of the porphyrin are discussed. Porphyrin aggregation at the air-THF interface gave a triangular type morphology, randomly distributed but uniformly oriented. When deposition was made by multiple drop-casting operations, a network of triangles of uniform size was created and a porous structure was obtained, being reorganized finally in rings. When the deposition was made from CHCl3, ring structures ranging in internal diameter from 300 nm to 1 µm, but with the same width of the corona circular of approx. 200 nm were obtained. This porphyrin-based material, capable of generating ring aggregates in both THF and CHCl3, has been proven to be sensitive to CO2 detection. The dependence between the intensity of porphyrin UV-vis absorption and the concentration of CO2 has a good correlation of 98.4%.
“…CO 2 sensors which use an inner filter quenching effect were also described. One such system consisted of a phosphorescent platinum octaetylporphyrin and a pH-sensitive dye in poly(vinylidene chloride-co-vinyl chloride-ethyl cellulose) thin films or microparticles with low permeability to oxygen [8]. A portable instrument to measure CO 2 in the gas phase [9] based on a solid-state sensor film, where the platinum octaethylporphyrin complex is quenched by the deprotonated form of naphtholphthalein [10] was also reported.…”
Abstract:The present report deals with the tailoring, preparation and characterization of novel nanomaterials sensitive to CO2 for use in detection of this gas during space habitation missions. A new nanostructured material based on mixed substituted asymmetrical A3B porphyrin: 5-(4-pyridyl)-10,15,20-tris(3,4-dimethoxyphenyl)-porphyrin (PyTDMeOPP) was synthesized and characterized by 1 H-NMR, FT-IR, UV-vis, fluorescence, MS, HPLC and AFM. Introducing one pyridyl substituent in the 5-meso-position of porphyrin macrocycle confers some degree of hydrophilicity, which may cause self-assembly properties and a better response to increased acidity. The influence of pH and nature of the
OPEN ACCESSMolecules 2014, 19 21240 solvent upon H and J aggregates of the porphyrin are discussed. Porphyrin aggregation at the air-THF interface gave a triangular type morphology, randomly distributed but uniformly oriented. When deposition was made by multiple drop-casting operations, a network of triangles of uniform size was created and a porous structure was obtained, being reorganized finally in rings. When the deposition was made from CHCl3, ring structures ranging in internal diameter from 300 nm to 1 µm, but with the same width of the corona circular of approx. 200 nm were obtained. This porphyrin-based material, capable of generating ring aggregates in both THF and CHCl3, has been proven to be sensitive to CO2 detection. The dependence between the intensity of porphyrin UV-vis absorption and the concentration of CO2 has a good correlation of 98.4%.
“…In order to analyze the electronic and structural properties of the interacting systems (SWCNT-family member and Phe-F0-ATPase), we used the ab initio computational simulation methodology, which makes use of the DFT (Functional Density Theory) proposed and tested for calculations of the electronic structure of atoms, molecules and solids to chemical and physical properties [11]. To find the physical and chemical properties in the DFT, it is necessary to make use of some approximations to allow the simulation of many bodies, such as the Born-Oppenheimer approximation, pseudopotential, supercell and base function [12].…”
The study of key molecular mechanisms of mitochondrial dysfunctions, which are responsible for neurodegenerative diseases, is a critical step to assist for the diagnosis and therapy success. In this regard, we suggest an alternative of treatment on neurodegenerative disordersbased on Single-Walled Carbon Nanotubes (SWCNT) as potential mito protective -(Phe)-F0-ATPase targeting nanoparticles toward Precision Molecular Nanomedicine against pathological ATP-hydrolysis conditions. Herein, we used ab initio computational simulation to analyze the structural and electronic properties from SWCNT-family with zigzag topologies (n, m -Hamada indices n > 0; m = 0) like: SWCNTpristine, SWCNT-COOH, SWCNT-OH, SWCNT-monovacancy interacting with the critical (Phe)-residues of the mitochondrial F0-ATPase and using oligomycin A (specific Phe-F0-ATPase inhibitor) as reference control. Then, we show that the SWCNT-family can be potentially used to selectively inhibit the (Phe)-F0-ATPase activity liked to pathological mitochondrial ATP-hydrolysis associated to human neurodegenerative disorders by using DFT-ab initio simulation. The in-silico results suggest the formation of more stable complexes of interaction following the order: SWCNT-COOH/F0-ATPase complex (1.79 eV) > SWCNT-OH/F0-ATPase complex (0.61 eV) > SWCNT/F0-ATPase complex (0.45 eV) > SWCNT-monovacancy/F0-ATPase complex (0.43 eV) based on the strength of the MOL2NET, 2017, 3, doi:10.3390/mol2net-03-xxxx 2 chemisorption interactions. These theoretical evidences open new horizons towards mito-target precision nanomedicine.
“…19 Bevilaqua and co-workers also suggested that chlorophyll can potentially bind CO 2 gas based on density functional calculations. 20 These studies provide possibilities for chlorophyll as gas sensor. However, application of this natural pigment for naked-eye detection of pollutant gases has not been explored.…”
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