Search results for "Chemical stability"
showing 10 items of 96 documents
Hydrophobic interactions and stacking forces: A convenient model system
1980
Abstract We consider solvent–biomolecule interactions and the role of solvent structural and isotopic alterations on the thermodynamic stability of biomolecular structures. Approaches to this problem range from the study of biomolecular functional stability, to that of the stability of small structural entities suitable of being taken as model systems for (parts of) larger molecules. We shall focus on this latter case and shall consider the dimerization process of small planar molecules (Methylene Blue). These are a convenient model system for the study of interactions responsible e.g. for base stacking in DNA. As an additional advantage, they do not form hydrogen bonds. The experimental st…
Electrochemical Monitoring of Compartmentalization Effects in the Stability of Meisenheimer Anions Supported in Hydrotalcite and X and Y Zeolites
2005
Meisenheimer anions (MS - ) derived from 2,4-dinitroaniline are stabilized into Li + - and Na + -exchanged zeolites X and Y forming alkali ion-MS ion pairs. Upon attachment of the zeolites to polymer film electrodes immersedinto Et 4 N + /MeCN and Li + /MeCN electrolytes, boundary-associated MS - ions display two oxidation processes at +0.40 and +0.65 V vs. AgCl/Ag. This response sharply contrasts with that recorded for MS - in solution and incorporated within hydrotalcite, for which a unique oxidation peak at +0.35 V is recorded. The electrochemistry of zeolite-associated MS - can be described in terms of an unusual electron-transfer/ chemical reaction/electron-transfer/comproportionation …
Stability of different mesoporous silica particles during an in vitro digestion
2016
Mesoporous silica materials have the ability to entrap drugs, nutrients and functional biomolecules and can be able to act as smart delivery systems capable to control and target the release of their cargo in a particular part of the gastrointestinal tract when administrated orally. However, the aptness of these encapsulation supports in in vivo oral controlled release relies on their chemical stability through the digestive tube. In this context, we have evaluated the stability of four different mesoporous silica particles, frequently used as encapsulating supports, during an in vitro digestion process comprising buccal, stomach and intestinal phases. Results showed that after 4 h of diges…
The Pd3(dppm)3(CO)n clusters (n = 1-,2-); rare cases of anionic palladium species.
2010
Two novel anionic palladium clusters, Pd(3)(dppm)(3)(CO)(n-) (Pd(3)(n); n = 1-,2-) were electrochemically generated from the dicationic cluster Pd(3)(2+) in 0.2 M THF/Bu(4)NPF(6)via two first consecutive reversible 1-electron reductions (Pd(3)(2+) + 1 e(-) ⇌ Pd(3)(+), -0.210, and Pd(3)(+) + 1 e(-) ⇌ Pd(3)(0), -0.470 V vs. SCE) followed by two others at -2.350 (Pd(3)(0) + 1 e(-) ⇌ Pd(3)(1-), reversible) and at -2.690 V vs. SCE (Pd(3)(1-) + 1 e(-) ⇌ Pd(3)(2-), irreversible). The chemical stability and instability, respectively, of the Pd(3)(dppm)(3)(CO)(n-) clusters (Pd(3)(n); n = 1-,2-) at the time scale of the electrochemical experiments were addressed by DFT computations. Indeed, geometry …
Kinetic and thermodynamic stability of the group 13 trihydrides.
2009
The kinetic and thermodynamic stabilities of the group 13 hydrides EH(3) (E = B, Al, Ga, In, Tl, E113) are investigated by relativistic density functional and wave function based theories. The unimolecular decomposition of EH(3) --EH + H(2) becomes energetically more favorable going down the Group 13 elements, with the H(2)-abstraction of InH(3), TlH(3), and (E113)H(3) (E113: element with nuclear charge 113) being exothermic. In accordance with the Hammond-Leffler postulate, the activation barrier for the dissociation process decreases accordingly going down the group 13 elements in the periodic table shifting to an early transition state, with activation energies ranging from 88.4 kcal/mol…
Potential dopamine prodrug-loaded liposomes: preparation, characterization, andin vitrostability studies
2010
Dopamine delivery to the central nervous system (CNS) undergoes the permeability limitations of the blood-brain barrier (BBB). Condensation of dopamine with neutral amino acids could afford potential pro- drugs able to interact with the BBB endogenous transporters and easily enter the brain. To improve the bio-availability of the dopamine prodrug, 2-amino-N-[2-(3,4-dihydroxy-phenyl)-ethyl]-3-phenyl-propionamide (DOPH), it was encapsulated in unilamellar liposomes of dimiristoylphosphatidylcholine (DMPC)and cholesterol. Vesicles were characterized by dynamic light scattering in order to evaluate their dimensions and vesicle stability, by zeta-potential measurements, by means of electronic mi…
Synthesis and in vitro studies on a potential dopamine prodrug.
2008
Dopamine delivery to the central nervous system (CNS) undergoes the permeability limitations of blood-brain barrier (BBB) which is a selective interface that excludes most water-soluble molecules from entering the brain. Neutral amino acids permeate the BBB by specific transport systems. Conden- sation of dopamine with neutral amino acids could afford potential prodrugs able to interact with the BBB endogenous transporters and easily enter the brain. The synthesis and characterization of the dopamine derivative 2-amino-N-[2-(3,4-dihydroxy-phenyl)-ethyl]-3-phenyl-propionamide (7) is de- scribed. The chemical and enzymatic stability of 7 was evaluated. The molecular weight (300 Da) and Log P …
Enhanced thermodynamic and kinetic stability of calix[4]arene dimers locked in the cone conformation.
2004
Wide rim tetraurea derivatives (2a,b) have been prepared from a calix[4]arene rigidified in the cone conformation by two diethyleneglycol ether bridges between adjacent oxygens. In comparison to the analogous tetraurea derivatives (3a,b) of a tetrapentoxy calix[4]arene, 2a,b show an increased thermodynamic stability in mixtures of CDCl(3) and DMSO-d(6). Their kinetic stability as expressed by the rate of guest exchange (benzene or cyclohexane against the solvent benzene-d(6)) is also strongly increased by factors of 30-38. Noticeable differences for the inclusion of selected guests are found.
De novo synthesis of mesoporous photoactive titanium(IV)-organic frameworks with MIL-100 topology
2019
[EN] Most developments in the chemistry and applications of metal-organic frameworks (MOFs) have been made possible thanks to the value of reticular chemistry in guiding the unlimited combination of organic connectors and secondary building units (SBUs) into targeted architectures. However, the development of new titanium-frameworks still remains limited by the difficulties in controlling the formation of persistent Ti-SBUs with predetermined directionality amenable to the isoreticular approach. Here we report the synthesis of a mesoporous Ti-MOF displaying a MIL-100 topology. MIL-100(Ti) combines excellent chemical stability and mesoporosity, intrinsic to this archetypical family of porous…
Electronic structure and thermodynamic stability ofLaMnO3andLa1−xSrxMnO3(001) surfaces:Ab initiocalculations
2008
We present the results of ab initio hybrid density-functional calculations of the atomic and the electronic structures of ${\text{LaMnO}}_{3}$ (LMO) and ${\text{La}}_{1\ensuremath{-}{x}_{b}}{\text{Sr}}_{{x}_{b}}{\text{MnO}}_{3}$ (001) surfaces. The total energies obtained from these calculations were used to analyze thermodynamic stability of the surfaces. We predict Sr and O vacancy segregation to the surface to occur with similar energies ($\ensuremath{\sim}0.5\text{ }\text{eV}$ per defect). In pure LMO only ${\text{MnO}}_{2}$ termination is thermodynamically favorable under typical operational conditions of a cathode in solid oxide fuel cells, whereas Sr doping makes La(Sr)O termination …