Weighting non-covalent forces in the molecular recognition of C60. Relevance of concave–convex complementarity

The relative contributions of several weak intermolecular forces to the overall stability of the complexes formed between structurally related receptors and [60]fullerene are compared, revealing a discernible contribution from concave–convex complementarity.Viruela Martin, Pedro Manuel, [email protected] ; Viruela Martin, Rafael, [email protected] ; Orti Guillen, Enrique, [email protected]

Control of Electron Transfer Processes in Multidimensional Arylamine-Based Mixed-Valence Compounds by Molecular Backbone Design

Four trigonal topology compounds with three diarylamines redox centers and dibenzofulvene as core bridge have been synthesized. Their radical cations exhibit appealing intramolecular electron transfer pathways between three redox centers, depending on their position on the core bridge. By changing such positions (on either 2,7- or 3,6-), and the length of the bridge, the control of the intramolecular electron transfer pathways was achieved through the electron self-exchange route. These processes were investigated by absorption spectroscopy, electron paramagnetic resonance spectroscopy, and (time-dependent) density functional theory calculations. Hole mobility measurements were carried out as well, to correlate the intramolecular electron transfer with the hole-transporting ability for possible applications in optoelectronic devices

[1]Benzothieno[3,2-b]benzothiophene-Based Organic Dyes for Dye-Sensitized Solar Cells

Three new metal-free organic dyes with the [1]benzothieno[3,2-b]benzothiophene (BTBT) π-bridge, having the structure donor-π-acceptor (D-π-A) and labeled as 19, 20 and 21, have been designed and synthesized for application in dye-sensitized solar cells (DSSC). Once the design of the π-acceptor block was fixed, containing the BTBT as the π-bridge and the cyanoacrylic group as the electron acceptor and anchoring unit, we selected three donor units with different electron-donor capacity, in order to assemble new chromophores with high molar extinction coefficients (ε), whose absorption features well reflect the good performance of the final DSSC devices. Starting with the 19 dye, which shows a molar extinction coefficient ε of over 14,000 M(-1) cm(-1) and takes into account the absorption maximun at the longer wavelength, the substitution of the BFT donor unit with the BFA yields a great enhancement of absorptivity (molar extinction coefficient ε > 42,000 M(-1) cm(-1)), until reaching the higher value (ε > 69,000 M(-1) cm(-1)) with the BFPhz donor unit. The good general photovoltaic performances obtained with the three dyes highlight the suitable properties of electron-transport of the BTBT as the π-bridge in organic chromophore for DSSC, making this very cheap and easy to synthesize molecule particularly attractive for efficient and low-cost photovoltaic devices

Application of calcium carbonate nanocarriers for controlled release of phytodrugs against Xylella fastidiosa pathogen

Calcium carbonate-based hollow or porous particles are one of the preferred carriers for fabrication of drug delivery systems. We have developed an eco-friendly method to produce calcium carbonate nanocrystals, which have shown biocompatibility and optimal capacity to across cell membrane in human cell lines providing new tools in cancer therapy. The success of drug delivery systems has paved the way for the development of systems for controlled release of agrochemicals. In this work, we exploited calcium carbonate nanocrystals as carriers for targeted release of phytodrugs investigating a potential control strategy for the pathogen Xylella fastidiosa. This pathogen is the causal agent of the Olive Quick Decline Syndrome that is an unprecedented emergency in Italy and potentially in the rest of Europe. We studied nanocrystals interactions with bacteria cells and the application in planta to verify olive plants uptake. Ultrastructural analysis by electron microscopy shown an alteration of bacteria wall following nanocrystals interaction. Nanocrystals were adsorbed from roots and they translocated in plants tissues. Calcium carbonate carriers were able to encapsulate efficiently two types of antimicrobial substances and the potential efficacy was tested in experiment under greenhouse conditions

[1]Benzothieno[3,2‑<i>b</i>]benzothiophene-Based Organic Dyes for Dye‑Sensitized Solar Cells

Three new metal-free organic dyes with the [1]­benzothieno­[3,2-<i>b</i>]­benzothiophene (BTBT) π-bridge, having the structure donor-π-acceptor (D-π<i>-</i>A) and labeled as <b>19</b>, <b>20</b> and <b>21</b>, have been designed and synthesized for application in dye-sensitized solar cells (DSSC). Once the design of the π-acceptor block was fixed, containing the BTBT as the π-bridge and the cyanoacrylic group as the electron acceptor and anchoring unit, we selected three donor units with different electron-donor capacity, in order to assemble new chromophores with high molar extinction coefficients (ε), whose absorption features well reflect the good performance of the final DSSC devices. Starting with the <b>19</b> dye, which shows a molar extinction coefficient ε of over 14,000 M^–1 cm^–1 and takes into account the absorption maximun at the longer wavelength, the substitution of the BFT donor unit with the BFA yields a great enhancement of absorptivity (molar extinction coefficient ε > 42,000 M^–1 cm^–1), until reaching the higher value (ε > 69,000 M^–1 cm^–1) with the BFPhz donor unit. The good general photovoltaic performances obtained with the three dyes highlight the suitable properties of electron-transport of the BTBT as the π-bridge in organic chromophore for DSSC, making this very cheap and easy to synthesize molecule particularly attractive for efficient and low-cost photovoltaic devices