Search results for "Surfaces"
showing 10 items of 2837 documents
DOTASQ as a prototype of nature-inspired G-quadruplex ligand
2011
DOTASQ (for DOTA-templated Synthetic G-quartet) is the first prototype of nature-inspired G-quadruplex ligand: its design, founded on a possible intramolecular G-quartet formation, enables it to interact with G-quadruplex DNA via an unprecedented nature-mimicking binding mode, based on the association between two G-quartets, one being native (quadruplex) and the other one artificial (ligand).
Temperature-controlled release by changes in the secondary structure of peptides anchored onto mesoporous silica supports
2014
Changes in the conformation of a peptide anchored onto the external surface of mesoporous silica nanoparticles have been used to design novel temperature-controlled delivery systems.
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.
Photoreactivity of Furocoumarins and DNA in PUVA Therapy: Formation of Psoralen−Thymine Adducts
2008
The mechanism of the [2 + 2] cycloaddition photoreaction of psoralen and a DNA nucleobase, thymine, cornerstone of the furocoumarin-based PUVA (psoralen + UVA radiation) phototherapy, has been studied by the quantum-chemical multiconfigurational CASPT2 method. Triplet- and singlet-mediated mono- and diadduct formations have been determined to take place via singlet-triplet crossings and conical intersections, correlated with the initially promoted triplet or singlet states in different possible reactive orientations. Pyroneside monoadducts are suggested to be formed in the triplet manifold of the system, and to be less prone to yield diadducts because of the properties of the monoadduct low…
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.