Synthesis and characterization of β-cyclodextrin/fraxinellone inclusion complex and its influence on interaction with human serum albumin

Aqueous solubility is one of the key determinants in developing new chemical entities as drugs. In this study, to improve the solubility of fraxinellone, a novel β-cyclodextrin/fraxinellone inclusion complex was prepared and characterized by Fourier transform infrared spectroscopy, thermogravimetric analysis, X-ray diffraction, and elemental analysis. Moreover, the influence of inclusion of small molecule by cyclodextrins on its binding with transporter in human body is essential for drug development. For the first time, we report the interaction of fraxinellone and its inclusion complex with human serum albumin. Fluorescence quenching of albumin by fraxinellone and its inclusion complex is a static process through complex formation. The results indicated that β-cyclodextrin did not affect the binding force and site of fraxinellone to the protein. Furthermore, circular dichroism showed that both fraxinellone and its inclusion complex induced a significant change in the secondary structure of human serum albumin.     

Reassessment of Leggett Inequality

Leggett formulated an inequality that seems to generalize the Bell theorem to non-local hidden variable theories. Leggett inequality is violated by quantum mechanics, as was confirmed by experiment. However, a careful analysis reveals that the theory applies to a class of local theory. Contrary to what happens in the derivation of Bell inequality, it is not necessary to make the hypothesis of outcome independence to derive the Leggett inequality.     

The high-resolution infrared spectrum of Si2H6: rotation–torsion analysis of the ν5 and ν7 fundamentals,and torsional splittings in the degenerate vibrational states

The infrared active ν₇ and ν₅ fundamentals of disilane, coupled by an x,y Coriolis interaction, have been analysed on a Fourier transform spectrum between 2120 and 2225?cm^?1, at the Doppler limited spectral resolution. A Fermi resonance with 2ν ₂?+?ν₉ affects the Δ K?=?1 side of ν₇, and both ν₇ and ν₅ show the effects of several additional localized perturbations. Line splittings in the ν₅ transitions are not observed, showing that the torsional splitting in the ν₅ excited state and in the vibrational ground state are almost equal. The intrinsic torsional splitting of ν₇ is found to be smaller than in the ground vibrational state by 0.0085?cm^?1. This splitting value and those found for the other two infrared active degenerate fundamentals, ν₈ and ν₉, follow the trend expected from our theoretical predictions. Exploratory numerical calculations show that the decrease of the torsional splittings, observed in the fundamental degenerate vibrational states of disilane, can actually be accounted for by the head–tail and torsional Coriolis coupling of all the degenerate vibrational fundamentals, in several torsional states.     

A new family of time-space harmonic polynomials with respect to Lévy processes

By means of a symbolic method, a new family of time-space harmonic polynomials with respect to Lévy processes is given. The coefficients of these polynomials involve a formal expression of Lévy processes by which many identities are stated. We show that this family includes classical families of polynomials such as Hermite polynomials. Poisson–Charlier polynomials result to be a linear combinations of these new polynomials, when they have the property to be time-space harmonic with respect to the compensated Poisson process. The more general class of Lévy–Sheffer polynomials is recovered as a linear combination of these new polynomials, when they are time-space harmonic with respect to Lévy processes of very general form. We show the role played by cumulants of Lévy processes, so that connections with boolean and free cumulants are also stated.     

Surfaces in {\mathbb{R}^4} with constant principal angles with respect to a plane

We study surfaces in ${\mathbb{R}^4}$ whose tangent spaces have constant principal angles with respect to a plane. Using a PDE we prove the existence of surfaces with arbitrary constant principal angles. The existence of such surfaces turns out to be equivalent to the existence of a special local symplectomorphism of ${\mathbb{R}^2}$ . We classify all surfaces with one principal angle equal to 0 and observe that they can be constructed as the union of normal holonomy tubes. We also classify the complete constant angles surfaces in ${\mathbb{R}^4}$ with respect to a plane. They turn out to be extrinsic products. We characterize which surfaces with constant principal angles are compositions in the sense of Dajczer-Do Carmo. Finally, we classify surfaces with constant principal angles contained in a sphere and those with parallel mean curvature vector field.     

Measurement of the η mass at KLOE<Superscript>⋆</Superscript>

In this report the measurement of the η mass is presented. The analysis has been performed on 450pb^-1 of data collected in the years 2001 and 2002. The measured value is m _η = (547.874±0.07_stat±0.029_syst) MeV. Original article based on material presented at HADRON 2007.     

PCMSolver: An open-source library for solvation modeling

PCMSolver is an open-source library for continuum electrostatic solvation. It can be combined with any quantum chemistry code and requires a minimal interface with the host program, greatly reducing programming effort. As input, PCMSolver needs only the molecular geometry to generate the cavity and the expectation value of the molecular electrostatic potential on the cavity surface. It then returns the solvent polarization back to the host program. The design is powerful and versatile: minimal loss of performance is expected, and a standard single point self-consistent field implementation requires no more than 2 days of work. We provide a brief theoretical overview, followed by two tutorials: one aimed at quantum chemistry program developers wanting to interface their code with PCMSolver , the other aimed at contributors to the library. We finally illustrate past and ongoing work, showing the library's features, combined with several quantum chemistry programs.     

Engineering Multifunctional DNA Hybrid Nanospheres through Coordination‐Driven Self‐Assembly

Developing simple and general approaches for the synthesis of nanometer‐sized DNA materials with specific morphologies and functionalities is important for various applications. Herein, a novel approach for the synthesis of a new set of DNA‐based nanoarchitectures through coordination‐driven self‐assembly of Fe^II ions and DNA molecules is reported. By fine‐tuning the assembly, Fe–DNA nanospheres of precise sizes and controlled compositions can be produced. The hybrid nanoparticles can be tailored for delivery of functional DNA to cells in vitro and in vivo with enhanced biological function. This highlights the potential of metal ion coordination as a tool for directing the assembly of DNA architectures, which conceptualizes a new pathway to expand the repertoire of DNA‐based nanomaterials. This methodology will advance both the fields of DNA nanobiotechnology and metal–ligand coordination chemistry.     

Identification of Nanoparticles via Plasmonic Scattering Interferometry

The development of optical imaging techniques has led to significant advancements in single‐nanoparticle tracking and analysis, but these techniques are incapable of label‐free selective nanoparticle recognition. A label‐free plasmonic imaging technology that is able to identify different kinds of nanoparticles in water is now presented. It quantifies the plasmonic interferometric scattering patterns of nanoparticles and establishes relationships among the refractive index, particle size, and pattern both numerically and experimentally. Using this approach, metallic and metallic oxide particles with different radii were distinguished without any calibration. The ability to optically identify and size different kinds of nanoparticles can provide a promising platform for investigating nanoparticles in complex environments to facilitate nanoscience studies, such as single‐nanoparticle catalysis and nanoparticle‐based drug delivery.     

Active Template Synthesis of Protein Heterocatenanes

Covalent‐bond‐forming protein domains can be versatile tools for creating unconventional protein topologies. In this study, through rewiring the SpyTag–SpyCatcher complex to induce rationally designed chain entanglement, we developed a biologically enabled active template for the concise, modular, and programmable synthesis of protein heterocatenanes both in vitro and in vivo. It is a general and good‐yielding reaction for forming heterocatenanes with precisely controlled ring sizes and broad structural diversity. More importantly, such heterocatenation not only provides an efficient means of bioconjugation for integrating multiple native functions, but also enhances the stability of the component proteins against proteolytic digestion, thermal unfolding, and freeze/thaw‐induced mechanical denaturation, thus opening up a versatile path in the nascent field of protein‐topology engineering.