Free Diffusions and Matrix Models with Strictly Convex Interaction

We study solutions to the free stochastic differential equation , where V is a locally convex polynomial potential in m non-commuting variables and S an m-dimensional free Brownian motion. We prove that such free processes have a unique stationary distribution μV. When the potential V is self-adjoint, we show that the law μV is the limit law of a random matrix model, in which an m-tuple of self-adjoint matrices are chosen according to the law exp. If V = V_β depends on complex parameters , we prove that the moments of the law μV are analytic in β at least for those β for which V_β is locally convex. In particular, this gives information on the region of convergence of the generating function for the enumeration of related planar maps. We prove that the solution X_t has nice convergence properties with respect to the operator norm as t goes to infinity. This allows us to show that the C* and W* algebras generated by an m-tuple with law μV share many properties with those generated by a semi-circular system. Among them is the lack of projections, exactness, the Haagerup property, and embeddability into the ultrapower of the hyperfinite II₁ factor. We show that the microstates free entropy χ(μV ) is finite when V is self-adjoint. A corollary of these results is the fact that the support of the law of any self-adjoint polynomial in under the law μV is connected, vastly generalizing the case of a single random matrix. We also deduce from this dynamical approach that the convergence of the operator norms of independent matrices from the GUE proved by Haagerup and Thorbjornsen [HT] extends to the context of matrices interacting via a convex potential. Received: February 2007, Revision: July 2007, Accepted: July 2007     

Computation of single-cell superconducting niobium cavity for accelerator of electrons and positrons

Computations of the accelerator section of the International Linear Collider (ILC), which consists of superconducting niobium cavities, are performed for conditions of the maximum energy transfer to electrons that travel along the cavity axis. A mathematical model and software packages are created for the computation of the electric characteristics and profile of a single-cell cavity. A computer-based synthesis of the cavity shape that yields the required electric characteristics is performed. The promising design variants of a single-cell cavity, with which a quality factor of 10¹⁰ is provided at a working frequency of 1.3 GHz, are found to optimize the construction and manufacture of a single-cell cavity. The electric characteristics of a chain of single-cell cavities are computed.     

An Easy Access to Furan-Fused Polyheterocyclic Systems

Nitrostilbenes characterized by two different or differently substituted aryl moieties can be obtained from the initial ring-opening of 3-nitrobenzo[b]thiophene with amines. Such versatile building blocks couple the well-recognized double electrophilic reactivity of the nitrovinyl moiety (addition to the double bond, followed by, e.g., intramolecular replacement of the nitro group) with the possibility to exploit a conjugated system of double bonds within an electrocyclization process. Herein, nitrostilbenes are reacted with different aromatic enols provided by a double (carbon and oxygen) nucleophilicity, leading to novel, interesting naphthodihydrofurans. From these, as a viable application, aromatization and electrocyclization lead in turn to valuable polycondensed, fully aromatic O-heterocycles.     

Potential Use of Tea Tree Oil as a Disinfectant Agent against Coronaviruses: A Combined Experimental and Simulation Study

The COVID-19 pandemic has highlighted the relevance of proper disinfection procedures and renewed interest in developing novel disinfectant materials as a preventive strategy to limit SARS-CoV-2 contamination. Given its widely known antibacterial, antifungal, and antiviral properties, Melaleuca alternifolia essential oil, also named Tea tree oil (TTO), is recognized as a potential effective and safe natural disinfectant agent. In particular, the proposed antiviral activity of TTO involves the inhibition of viral entry and fusion, interfering with the structural dynamics of the membrane and with the protein envelope components. In this study, for the first time, we demonstrated the virucidal effects of TTO against the feline coronavirus (FCoVII) and the human coronavirus OC43 (HCoV-OC43), both used as surrogate models for SARS-CoV-2. Then, to atomistically uncover the possible effects exerted by TTO compounds on the outer surface of the SARS-CoV-2 virion, we performed Gaussian accelerated Molecular Dynamics simulations of a SARS-CoV-2 envelope portion, including a complete model of the Spike glycoprotein in the absence or presence of the three main TTO compounds (terpinen-4-ol, γ-terpinene, and 1,8-cineole). The obtained results allowed us to hypothesize the mechanism of action of TTO and its possible use as an anti-coronavirus disinfectant agent.     

In Vitro Bioaccessibility and Antioxidant Activity of Phenolic Compounds in Coffee-Fortified Yogurt

Yogurt is considered one of the most popular and healthy dairy products, and has been exploited as a delivery matrix for phenolic compounds. In this study, coffee powder was added to yogurt as a functional ingredient to produce coffee-fortified yogurt. Total phenolic compounds, antioxidant activity and individual hydroxycinnamic acids have been identified and quantified through mass spectrometry. The results from coffee-fortified yogurt were compared with fermented coffee and plain yogurt. Coffee-fortified yogurt had higher total phenolic content and antioxidant activity compared to plain yogurt. However, the total phenolic compounds found in coffee-fortified yogurt represented only 38.9% of the original content in coffee. Caffeoylquinic acids were the most abundant phenolic compounds in coffee. Fermented coffee and coffee-fortified yogurt displayed lower amounts of individual phenolic compounds with respect to coffee (69.8% and 52.4% of recovery, respectively). A protective effect of the yogurt matrix on total and individual coffee phenolic compounds has been observed after in vitro digestion, resulting in a higher bioaccessibility in comparison with digested fermented coffee. Moreover, coffee-fortified yogurt showed the highest antioxidant values after digestion. These findings clearly demonstrate that coffee-fortified yogurt can be considered a significant source of bioaccessible hydroxycinnamic acids, besides its health benefits as a fermented dairy product.     

First Evidence of Anti-Steatotic Action of Macrotympanain A1, an Amphibian Skin Peptide from Odorrana macrotympana

Many different amphibian skin peptides have been characterized and proven to exert various biological actions, such as wound-healing, immunomodulatory, anti-oxidant, anti-inflammatory and anti-diabetic effects. In this work, the possible anti-steatotic effect of macrotympanain A1 (MA1) (FLPGLECVW), a skin peptide isolated from the Chinese odorous frog Odorrana macrotympana, was investigated. We used a well-established in vitro model of hepatic steatosis, consisting of lipid-loaded rat hepatoma FaO cells. In this model, a 24 h treatment with 10 µg/mL MA1 exerted a significant anti-steatotic action, being able to reduce intracellular triglyceride content. Accordingly, the number and diameter of cytosolic lipid droplets (LDs) were reduced by peptide treatment. The expression of key genes of hepatic lipid metabolism, such as PPARs and PLINs, was measured by real-time qPCR. MA1 counteracted the fatty acid-induced upregulation of PPARγ expression and increased PLIN3 expression, suggesting a role in promoting lipophagy. The present data demonstrate for the first time a direct anti-steatotic effect of a peptide from amphibian skin secretion and pave the way to further studies on the use of amphibian peptides for beneficial actions against metabolic diseases.     

Engineered Ferritin with Eu3+ as a Bright Nanovector: A Photoluminescence Study

Ferritin nanoparticles play many important roles in theranostic and bioengineering applications and have been successfully used as nanovectors for the targeted delivery of drugs due to their ability to specifically bind the transferrin receptor (TfR1, or CD71). They can be either genetically or chemically modified for encapsulating therapeutics or probes in their inner cavity. Here, we analyzed a new engineered ferritin nanoparticle, made of the H chain mouse ferritin (HFt) fused with a specific lanthanide binding tag (LBT). The HFt-LBT has one high affinity lanthanide binding site per each of the 24 subunits and a tryptophane residue within the tag that acts as an antenna able to transfer the energy to the lanthanide ions via a LRET process. In this study, among lanthanides, we selected europium for its red emission that allows to reduce overlap with tissue auto-fluorescence. Steady state emission measurements and time-resolved emission spectroscopy have been employed to investigate the interaction between the HFt-LBT and the Eu³⁺ ions. This allowed us to identify the Eu³⁺ energy states involved in the process and to pave the way for the future use of HFt-LBT Eu³⁺ complex in theranostics.     

A Sharp Inequality on the Exponentiation of Functions on the Sphere

In this paper we show a new inequality that generalizes to the unit sphere the Lebedev-Milin inequality of the exponentiation of functions on the unit circle. It may also be regarded as the counterpart on the sphere of the second inequality in the Szegö limit theorem on the Toeplitz determinants on the circle. On the other hand, this inequality is also a variant of several classical inequalities of Moser-Trudinger type on the sphere. The inequality incorporates the deviation of the center of mass from the origin into the optimal inequality of Aubin for functions with mass centered at the origin, and improves Onofri's inequality with the contribution of the shifting of the mass center explicitly expressed. © 2021 Wiley Periodicals LLC.     

The Role of Cytochrome P450 AbyV in the Final Stages of Abyssomicin C Biosynthesis

Abyssomicin C and its atropisomer are potent inhibitors of bacterial folate metabolism. They possess complex polycyclic structures, and their biosynthesis has been shown to involve several unusual enzymatic transformations. Using a combination of synthesis and in vitro assays we reveal that AbyV, a cytochrome P450 enzyme from the aby gene cluster, catalyses a key late-stage epoxidation required for the installation of the characteristic ether-bridged core of abyssomicin C. The X-ray crystal structure of AbyV has been determined, which in combination with molecular dynamics simulations provides a structural framework for our functional data. This work demonstrates the power of combining selective carbon-13 labelling with NMR spectroscopy as a sensitive tool to interrogate enzyme-catalysed reactions in vitro with no need for purification.