Excited-state dynamics of structurally characterized [ReI(CO)3(phen)(HisX)]+ (X = 83, 109) Pseudomonas aeruginosa azurins in aqueous solution

The triplet metal-to-ligand charge transfer ((3)MLCT) dynamics of two structurally characterized Re(I)(CO)(3)(phen)(HisX)-modified (phen = 1,10-phenanthroline; X = 83, 109) Pseudomonas aeruginosa azurins have been investigated by picosecond time-resolved infrared (TRIR) spectroscopy in aqueous (D(2)O) solution. The (3)MLCT relaxation dynamics exhibited by the two Re(I)-azurins are very different from those of the sensitizer [Re(I)(CO)(3)(phen)(im)](+) (im = imidazole). Whereas the Re(I)(CO)(3) intramolecular vibrational relaxation in Re(I)(CO)(3)(phen)(HisX)Az (4 ps) is similar to that of [Re(I)(CO)(3)(phen)(im)](+) (2 ps), the medium relaxation is much slower ( approximately 250 vs 9.5 ps); the 250-ps relaxation is attributable to reorientation of D(2)O molecules as well as structural reorganization of the rhenium chromophore and nearby polar amino acids in each of the modified proteins.     

Predicting the behaviour of proteins in hydrophobic interaction chromatography. 1: Using the hydrophobic imbalance (HI) to describe their surface amino acid distribution

This paper focuses on the prediction of the dimensionless retention time of proteins (DRT) in hydrophobic interaction chromatography (HIC) by means of mathematical models based on characteristics of the surface hydrophobicity distribution. We introduce a new parameter, called hydrophobic imbalance (HI), obtained from the three-dimensional structure of proteins. This parameter quantifies the displacement of the superficial geometric centre of the protein when the effect of the hydrophobicity of each amino acid is considered. This parameter is simpler and less expensive than those reported previously. We use HI as a way to incorporate information about the surface hydrophobicity distribution in order to improve the prediction of DRT. We tested the performance of our DRT predictive models in a set of 15 proteins. This set includes four proteins whose DRTs are known as very difficult to predict. By means of the variable HI, it was possible to improve the predictive characteristics obtained by models based on the average surface hydrophobicity (ASH) by 9.1%. Also, we studied linear multivariable models based on characteristics determined from the HI. By using this multivariable model, a correlation coefficient of 0.899 was obtained. With this model, we managed to improve the predictive characteristics shown by previous models based on ASH by 31.8%.     

On non-solvable Camina pairs

In this paper we study non-solvable and non-Frobenius Camina pairs (G,N). It is known [D. Chillag, A. Mann, C. Scoppola, Generalized Frobenius groups II, Israel J. Math. 62 (1988) 269–282] that in this case N is a p-group. Our first result (Theorem 1.3) shows that the solvable residual of G/O_p(G) is isomorphic either to SL(2,p^e),p is a prime or to SL(2,5), SL(2,13) with p=3, or to SL(2,5) with p7.Our second result provides an example of a non-solvable and non-Frobenius Camina pair (G,N) with |O_p(G)|=5⁵ and G/O_p(G)SL(2,5). Note that G has a character which is zero everywhere except on two conjugacy classes. Groups of this type were studies by S.M. Gagola [S.M. Gagola, Characters vanishing on all but two conjugacy classes, Pacific J. Math. 109 (1983) 363–385]. To our knowledge this group is the first example of a Gagola group which is non-solvable and non-Frobenius.     

Potential modularity for elliptic curves and some applications

In this paper we prove the simultaneous potential modularity for a finite number of elliptic curves defined over a totally real field. As an application we prove the meromorphic continuation of some L-functions associated to elliptic curves and Tate conjecture for a product of 2 or 4 elliptic curves defined over a totally real field.     

Nonpositive curvature in p-Schatten class

We study the geometry of the set Δp, with 1<p<∞, which consists of perturbations of the identity operator by p-Schatten class operators, which are positive and invertible as elements of B(H). These manifolds have natural and invariant Finsler structures. In [C. Conde, Geometric interpolation in p-Schatten class, J. Math. Anal. Appl. 340 (2008) 920-931], we introduced the metric dp and exposed several results about this metric space. The aim of this work is to prove that the space (Δp,dp) behaves in many senses like a nonpositive curvature metric space.     

Stroboscopic supercontinuum white-light interferometer for MEMS characterization

We used a supercontinuum-based scanning white-light interferometer to characterize the oscillation of a MEMS device. The output of a commercially available supercontinuum light source (FiberWare Ilum II USB) was modulated to achieve stroboscopic operation. By synchronizing the modulation frequency of the source to the sample oscillation, dynamic 3-D profile measurements were recorded. These results were validated against those obtained with a white light LED setup. The measured maximum deflection of a 400×25×4 μm(3) microbridge driven with 0-6.8 V sinusoidal voltage at 10 Hz was 1.42±0.03 μm (supercontinuum), which agreed with the LED measurement. The method shows promise for characterization of high-frequency MEMS devices.     

Steady flow in the Willis circle using a Quemada model

The paper presents new results on the dynamics of blood flow in the Willis circle, by taking into account the non-Newtonian nature of the blood through a Quemada model. In previous papers we performed a steady analysis of the blood flow in the Willis polygon, by considering the blood as a Newtonian fluid. In hemodynamics this is the first step, while taking into account the non-Newtonian behaviour of the fluid is called a second order approach. This is in fact the aim of our paper, to compare the results (blood flow rates and pressures) obtained in a non-Newtonian approach with those furnished by a Newtonian modeling of the blood. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Synthetic Strategies for the Selective Functionalization of Carbon Nanodots Allow Optically Communicating Suprastructures

The surface of Carbon Nanodots (CNDs) stands as a rich chemical platform, able to regulate the interactions between particles and external species. Performing selective functionalization of these nanoscale entities is of practical importance, however, it still represents a considerable challenge. In this work, we exploited the organic chemistry toolbox to install target functionalities on the CND surface, while monitoring the chemical changes on the material's outer shell through nuclear magnetic resonance spectroscopy. Following this, we investigated the use of click chemistry to covalently connect CNDs of different nature en-route towards covalent suprastructures with unprecedent molecular control. The different photophysical properties of the connected particles allowed their optical communication in the excited state. This work paves the way for the development of selective and addressable CND building blocks which can act as modular nanoscale synthons that mirror the long-established reactivity of molecular organic synthesis.