Search results for " Applications"
showing 10 items of 4541 documents
Mössbauer Spectroscopic Study and Magnetic Investigation of Iron(III) Complexes on a DendrimericBasis
2014
The functionalization of the molecular surface of various dendrimer generations with a phosphorous core and external amine groups is obtained by converting those amine groups into the corresponding imines of salicylaldehyde creating multiple coordination sites for the iron atoms. Treatment with iron(III) chloride yields multinuclear iron(III) complexes on a dendrimeric basis.The obtained multinuclear molecular systems exhibit extremely high total spin values. The influence of the generation growth on this type of coordination compounds is investigated by Mossbauer spectroscopy and SQUID magnetometry.
Iron(III) Complexes on a Dendrimeric Basis and Various Amine Core Investigated by Mössbauer Spectroscopy
2014
Dendrimers of various generations were synthesized by the divergent method. Starting from various amine cores (G0a, G0b, G0c) the generations were built by reaction of the amine with acrylnitrile followed by hydrogenation with DIBAL-H. Treatment with salicylaldehyde creates a fivefold coordination sphere for iron in the molecular periphery. The resulting multinuclear coordination compounds are investigated by Mossbauer spectroscopy.
Sorption of high pressure fluid mixtures into semi-crystalline polymers: investigation of the system carbon dioxide/vinylidenefluoride/poly(vinyliden…
2008
A novel experimental apparatus for measuring gas absorption has been adopted to study sorption of carbon dioxide CO2 and vinylidenefluoride (VDF) in a semi crystalline polymer, namely poly(vinylidenefluoride) (PVDF). The experimental technique allows to calculate simultaneous absorption of different components in the polymer phase, through a gas chromatographic determination of the composition of the fluid phase. To take into account indirectly the polymer swelling, a suitable not-absorbable probe, namely argon, has been added to the fluid phase. Concentrations of molecules absorbed in the polymer phase were simply calculated through mass balance equations written for each component in the …
Elaboration and characterization of organic/inorganic hybrid nanoporous material incorporating Keggin-type Mo-Si polyanions
2007
A novel nanoporous (pore size of 11 nm in average, BET surface area of 30 m2/g, pore volume of 300 mm3/g) hybrid inorganic-organic material was synthesized using the solid-phase interaction at room temperature of plant-originated phenylpropanoid polymer lignin and a Keggin-type heteropolyanion [SiMo12O40]4-. The partly reduction of Mo(VI) to Mo(V) and complexes formation between lignin and polyanion have been established by EPR, FT-IR and Raman spectroscopy. The XRD pattern and FT-IR spectrum of the hybrid material and indicates that [SiMo12O40]4- anion maintains the Keggin structure.
Toward device applicable second order NLO polymer materials: definition of the chromophore figure of merit
2007
Maximal achieved second order non linear optical (NLO) efficiency of the PMMA based host – guest systems containing eight dimethylaminobenzylidene -1, 3 - indandione (DMABI) related chromophores have been analysed. Two contradicting sets of NLO chromophore figure of merit (FOM) equations were tested. One of them predicts that NLO efficiency of the poled polymer host -guest film is proportional to ground state dipole d33 ~ 1/μg, another to d33 ~ 1/μg. The best correlations for the maximal achieved nonlinearity were obtained with second set of FOM, especially if high ground state dipole (μg > 7D) chromofores are included in analysis.
Interactions between proteins and poly(ethylene-glycol) investigated using molecular dynamics simulations
2017
Poly(ethylene-glycol) (PEG) is a polymer used to coat therapeutic preparations, like drugs or drug nanocarriers, and improve their efficacy. This effect is probably due to a reduction of the interactions of the coated species with the host organism. Nevertheless, experiments show that PEGylated materials do interact with the surrounding biological milieu, and in particular with blood proteins. Here, we use atomistic molecular dynamics simulations to characterize the interactions between the polymer and several blood proteins. In these simulations, the proteins are immersed in a mixture of PEG and water molecules. We observe how PEG distributes around the protein surface and measure PEG-prot…
Robust Lanthanoid Picolinate-Based Coordination Polymers for Luminescence and Sensing Applications
2021
Picolinate-based segmented dianionic ligands L12– (5-((4-carboxyphenyl)ethynyl)picolinate) and L22– (5,5′-(ethyne-1,2-diyl)dipicolinate) have been used in the synthesis of the highly robust and luminescent europium(III) coordination polymers [(CH3)2NH2][Eu(H2O)2(L1)2] (1) and [(CH3)2NH2][Eu(L2)2]·H2O·CH3COOH (2). Both 1 and 2 exhibit high selectivity for detection of nitroaromatic compounds since they act as quenchers of the Eu3+ emission. Stern–Volmer plots, using nitrobenzene as a quencher, yielded values of KSV = 150 M–1 and 160 M–1 for 1 and 2, respectively. Luminescence studies in the presence of different metal ions indicate a high selectivity for Fe3+ detection, with KSV values of 47…
GLASS TRANSITION IN THIN POLYMER FILMS: A MOLECULAR DYNAMICS STUDY
2002
A melt of nonentangled polymer chains confined between two smooth and purely repulsive walls is studied for various film thicknesses D and temperatures. The dynamics of the supercooled films is qualitatively identical to that of the bulk, but the walls lead to faster relaxation. To quantify this observation we analyze the data by the mode-coupling theory (MCT) of the glass transition. We find that the critical temperature of MCT, Tc(D), decreases with D and that T - Tc(D) is a relevant temperature scale. The static structure factor and dynamic correlation functions at intermediate times coincide with bulk behavior when compared to the same T - Tc(D).
Inulin vinyl sulfone derivative cross-linked with bis-amino PEG: new materials for biomedical applications
2009
In this work new hydrogels based on biocompatible polymers such as inulin (INU) and O,O'-bis(2-aminoethyl)polyethyleneglycol (PEGBa) have been prepared and charaterized. In particular, INU has been derivatized with divinyl sulfone (DV) thus obtaining the INUDV derivative, a copolymer bearing double bonds highly reactive towards the conjugate addition by nucleophilic molecules. INUDV has been characterized by FT-IR, 1 H-NMR and SEC analyses that have confirmed the success of the derivatization reaction. With the aim to obtain novel hydrogel systems, INUDV derivative has been cross-linked with PEGBa in phosphate buffer solution pH 7.4. The reaction has been carried out for 4 h at room tempera…
Simulation of Dense Polymer Systems in Two and Three Dimensions
1991
Dense polymer systems are modeled by self- and mutually avoiding walks on lattices. Both simple models where the step length is one lattice spacing and more complicated models where the step length is distinctly longer and may fluctuate (“bond fluctuation model”) are discussed, and it is shown that the computer simulation of such models gives useful insight to understand the thermodynamic phase behavior and the relaxational dynamics of dense polymer solutions and polymer melts. The huge demands in computing power needed for a successful simulation of such systems can be covered by parallel computers such as the multitransputer facility of the University of Mainz.