Search results for "METALS"
showing 10 items of 2013 documents
Polymorphism control of an active pharmaceutical ingredient beneath calixarene-based Langmuir monolayers.
2014
This communication demonstrates the possibility to nucleate and grow different crystalline polymorphic forms of gabapentin (GBP) using, as nucleation templates, Langmuir monolayers of an amphiphilic calixarene at different packing densities.
Crystalline supramolecular organic frameworksviahydrogen-bonding between nucleobases
2021
We report a crystalline supramolecular framework assembled by H-bonding interactions between covalently fused monomers equipped with two guanine-cytosine nucleobase pairs.
A chirality-induced alpha phase and a novel molecular magnetic metal in the BEDT-TTF/tris(croconate)ferrate(iii) hybrid molecular system
2006
The novel paramagnetic and chiral anion [Fe(C5O5)3]32 has been combined with the organic donor BEDT-TTF (= ET = bis(ethylenedithio)tetrathiafulvalene) to yield the first chirality- induced α phase and a paramagnetic metal. Gomez Garcia, Carlos, Carlos.Gomez@uv.es ; Coronado Miralles, Eugenio, Eugenio.Coronado@uv.es ; Gimenez Saiz, Carlos, Carlos.Gimenez@uv.es
Tuning molecular self-assembly on bulk insulator surfaces by anchoring of the organic building blocks.
2013
Molecular self-assembly constitutes a versatile strategy for creating functional structures on surfaces. Tuning the subtle balance between intermolecular and molecule-surface interactions allows structure formation to be tailored at the single-molecule level. While metal surfaces usually exhibit interaction strengths in an energy range that favors molecular self-assembly, dielectric surfaces having low surface energies often lack sufficient interactions with adsorbed molecules. As a consequence, application-relevant, bulk insulating materials pose significant challenges when considering them as supporting substrates for molecular self-assembly. Here, the current status of molecular self-ass…
Single layers of a multifunctional laminar Cu(I,II) coordination polymer.
2010
A multifunctional bidimensional mixed-valence copper coordination polymer [Cu2Br(IN)2]n (IN = isonicotinato) has been characterized in crystal phase and isolated on graphite surface as single sheets.
Formation and mixed-valent behaviour of a substituted tetraferrocenylstannane.
2010
A tetrasubstituted tetraferrocenylstannane is formed from 1-bromoferrocene-1′-carboxylic acid methyl ester and copper bronze. The molecular structure is almost perfectly tetrahedral with Fe⋯Fe distances of around 6 A. In solution two sequential one-electron processes and one two-electron process are indicative of mixed-valent intermediates. Intermetallic interactions have been probed by preparative oxidation, paramagnetic NMR spectroscopy, Mosbauer spectroscopy, UV/Vis/NIR spectroscopy and DFT calculations.
Photoinduced intersystem crossing in DNA oxidative lesions and epigenetic intermediates
2020
[EN] The propensity of 5-formyluracil and 5-formylcytosine, i.e. oxidative lesions and epigenetic intermediates, in acting as intrinsic DNA photosensitizers is unraveled by using a combination of molecular modeling, simulation and spectroscopy. Exploration of potential energy surfaces and non-adiabatic dynamics confirm a higher intersystem crossing rate for 5-formyluracil, whereas the kinetic models evidence different equilibria in the excited states for both compounds.
Single-layer metal-on-metal islands driven by strong time-dependent forces
2012
Non-linear transport properties of single-layer metal-on-metal islands driven with strong static and time-dependent forces are studied. We apply a semi-empirical lattice model and use master equation and kinetic Monte Carlo simulation methods to compute observables such as the velocity and the diffusion coefficient. Two types of time-dependent driving are considered: a pulsed rotated field and an alternating field with a zero net force (electrophoretic ratchet). Small islands up to 12 atoms were studied in detail with the master equation method and larger ones with simulations. Results are presented mainly for a parametrization of Cu on Cu(001) surface, which has been the main system of int…
Supramolecular complexation for environmental control
2012
Supramolecular complexes offer a new and efficient way for the monitoring and removal of many substances emanating from technical processes, fertilization, plant and animal protection, or e.g. chemotherapy. Such pollutants range from toxic or radioactive metal ions and anions to chemical side products, herbicides, pesticides to drugs including steroids, and include degradation products from natural sources. The applications involve usually fast and reversible complex formation, due to prevailing non-covalent interactions. This is of importance for sensing as well as for separation techniques, where the often expensive host compounds can then be reused almost indefinitely. Immobilization of …
Identifying three-way DNA junction-specific small-molecules
2012
Three-way junction DNA (TWJ-DNA, also known as 3WJ-DNA) is an alternative secondary DNA structure comprised of three duplex-DNAs that converge towards a single point, termed the branch point. This point is characterized by unique geometrical properties that make its specific targeting by synthetic small-molecules possible. Such a targeting has already been demonstrated in the solid state but not thoroughly biophysically investigated in solution. Herein, a set of simple biophysical assays has been developed to identify TWJ-specific small-molecule ligands; these assays, inspired by the considerable body of work that has been reported to characterize the interactions between small-molecules an…