Superior Antibacterial Activity of Integral Lemon Pectin Extracted via Hydrodynamic Cavitation

Pectin extracted via hydrodynamic cavitation in water only from waste lemon peel and further isolated via freeze drying displays significant antibacterial activity against Staphylococcus aureus, a Gram positive pathogen which easily contaminates food. The antibacterial effect of the new IntegroPectin is largely superior to that of commercial citrus pectin, opening the way to advanced applications of a new bioproduct now obtainable in large amounts and at low cost from citrus juice industry's waste.     

Slow dynamics in a primitive tetrahedral network model

We report extensive Monte Carlo and event-driven molecular dynamics simulations of the fluid and liquid phase of a primitive model for silica recently introduced by Ford et al. [J. Chem. Phys. 121, 8415 (2004)]. We evaluate the isodiffusivity lines in the temperature-density plane to provide an indication of the shape of the glass transition line. Except for large densities, arrest is driven by the onset of the tetrahedral bonding pattern and the resulting dynamics is strong in Angell's classification scheme [J. Non-Cryst. Solids 131-133, 13 (1991)]. We compare structural and dynamic properties with corresponding results of two recently studied primitive models of network forming liquids-a primitive model for water and an angular-constraint-free model of four-coordinated particles-to pin down the role of the geometric constraints associated with bonding. Eventually we discuss the similarities between "glass" formation in network forming liquids and "gel" formation in colloidal dispersions of patchy particles.     

An Investigation of Photo‐ and Pressure‐Induced Effects in a Pair of Isostructural Two‐Dimensional Spin‐Crossover Framework Materials

Two new isostructural iron(II) spin‐crossover (SCO) framework (SCOF) materials of the type [Fe(dpms)₂(NCX)₂] (dpms=4,4′‐dipyridylmethyl sulfide; X=S ( SCOF‐6(S) ), X=Se ( SCOF‐6(Se) )) have been synthesized. The 2D framework materials consist of undulating and interpenetrated rhomboid (4,4) nets. SCOF‐6(S) displays an incomplete SCO transition with only approximately 30 % conversion of high‐spin (HS) to low‐spin iron(II) sites over the temperature range 300–4 K (T_1/2=75 K). In contrast, the NCSe^? analogue, SCOF‐6(Se) , displays a complete SCO transition (T_1/2=135 K). Photomagnetic characterizations reveal quantitative light‐ induced excited spin‐state trapping (LIESST) of metastable HS iron(II) sites at 10 K. The temperature at which the photoinduced stored information is erased is 58 and 50 K for SCOF‐6(S) and SCOF‐6(Se) , respectively. Variable‐pressure magnetic measurements were performed on SCOF‐6(S) , revealing that with increasing pressure both the T_1/2 value and the extent of spin conversion are increased; with pressures exceeding 5.2 kbar a complete thermal transition is achieved. This study confirms that kinetic trapping effects are responsible for hindering a complete thermally induced spin transition in SCOF‐6(S) at ambient pressure due to an interplay between close T_1/2 and T(LIESST) values.     

Quantitative investigation of the two-state picture for water in the normal liquid and the supercooled regime

Several evidences have helped to establish the two-state nature of liquid water. Thus, within the normal liquid and supercooled regimes water has been shown to consist of a mixture of well-structured, low-density molecules and unstructured, high-density ones. However, quantitative analyses have faced the burden of unambiguously determining both the presence and the fraction of each kind of water “species”. A recent approach by combining a local structure index with potential-energy minimisations allows us to overcome this difficulty. Thus, in this work we extend such study and employ it to quantitatively determine the fraction of structured molecules as a function of temperature for different densities. This enables us to validate predictions of two-state models.     

Ground-state clusters for short-range attractive and long-range repulsive potentials

We report calculations of the ground-state energies and geometries for clusters of different sizes (up to 80 particles), where individual particles interact simultaneously via a short-ranged attractive potential, modeled with a generalization of the Lennard-Jones potential, and a long-ranged repulsive Yukawa potential. We show that for specific choices of the parameters of the repulsive potential, the ground-state energy per particle has a minimum at a finite cluster size. For these values of the parameters in the thermodynamic limit, at low temperatures and small packing fractions, where clustering is favored and cluster-cluster interactions can be neglected, thermodynamically stable cluster phases can be formed. The analysis of the ground-state geometries shows that the spherical shape is marginally stable. In the majority of the studied cases, we find that above a certain size, ground-state clusters preferentially grow almost in one dimension.     

Arrested phase separation in a short-ranged attractive colloidal system: a numerical study

We numerically investigate the competition between phase separation and dynamical arrest in a colloidal system interacting via a short-ranged attractive potential. Equilibrium fluid configurations are quenched at two different temperatures below the critical temperature and followed during their time evolution. At the lowest studied T, the phase-separation process is interrupted by the formation of an attractive glass in the dense phase. At the higher T, no arrest is observed and the phase-separation process proceeds endlessly in the simulated time window. The final structure of the glass retains memory of the interrupted phase-separation process in the form of a frozen spinodal decomposition peak, whose location and amplitude is controlled by the average packing fraction. We also discuss the time evolution of the nonergodicity parameter, providing evidence of a progressively decreasing localization length on increasing the packing fraction. Finally, we confirm that the reported results are independent of the microscopic dynamics.     

Self-assembled Co(II) molecular squares incorporating the bridging ligand 4,7-phenanthrolino-5,6:5',6'-pyrazine

Three high-spin tetranuclear cobalt(II) complexes have been prepared with the bridging ligand 4,7-phenanthrolino-5,6:5',6'-pyrazine (ppz) through metal-ion directed self-assembly. The complexes differ by the incorporation of three different coordinating anions: chloride, thiocyanide and selenocyanide. The physical properties of these complexes have been investigated in detail.     

Non-Gaussian energy landscape of a simple model for strong network-forming liquids: Accurate evaluation of the configurational entropy

We present a numerical study of the statistical properties of the potential energy landscape of a simple model for strong network-forming liquids. The model is a system of spherical particles interacting through a square-well potential, with an additional constraint that limits the maximum number of bonds Nmax per particle. Extensive simulations have been carried out as a function of temperature, packing fraction, and Nmax. The dynamics of this model are characterized by Arrhenius temperature dependence of the transport coefficients and by nearly exponential relaxation of dynamic correlators, i.e., features defining strong glass-forming liquids. This model has two important features: (i) Landscape basins can be associated with bonding patterns. (ii) The configurational volume of the basin can be evaluated in a formally exact way, and numerically with an arbitrary precision. These features allow us to evaluate the number of different topologies the bonding pattern can adopt. We find that the number of fully bonded configurations, i.e., configurations in which all particles are bonded to Nmax neighbors, is extensive, suggesting that the configurational entropy of the low temperature fluid is finite. We also evaluate the energy dependence of the configurational entropy close to the fully bonded state and show that it follows a logarithmic functional form, different from the quadratic dependence characterizing fragile liquids. We suggest that the presence of a discrete energy scale, provided by the particle bonds, and the intrinsic degeneracy of fully bonded disordered networks differentiates strong from fragile behavior.